| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.6 | Very low | 58.1 | Low | 197 Ų | 197 | 95.7 Ų | 95.7 | 97% | 0.97 | 53% | 0.527 | S | S | * | . | 0 | 151.2 | 0 | -76 | -166.1 | 175.4 | 0 | 0 | 108.2 | A3 | M1-A3 PolarHBondContact O-N 2.87Š| |||
| 2 | P | 42.6 | Very low | 59.3 | Low | 87 Ų | 87 | 100.2 Ų | 100.2 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | trans | -57.4 | 134.1 | 166.8 | -14.8 | 27.9 | 0 | 0 | 0 | 108.7 | D4 V5 A6 | P2-D4 PolarHBondContact O-N 3.28Å; P2-D4 VanDerWaalsContact O-N 3.16Å; P2-V5 HydrophobicContact CB-CG2 4.13Å; P2-V5 HydrophobicContact CG-CG2 4Å; P2-V5 PolarHBondContact O-N 2.94Å; P2-A6 PolarHBondContact O-N 3.04Å | ||
| 3 | A | 49 | Very low | 60.5 | Low | 73 Ų | 73 | 97.4 Ų | 97.4 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -51.8 | -39.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1 V5 A6 Q7 | M1-A3 PolarHBondContact O-N 2.87Å; A3-V5 VanDerWaalsContact C-N 3.34Å; A3-V5 PolarHBondContact O-N 2.83Å; A3-A6 PolarHBondContact O-N 2.98Å; A3-Q7 WeakPolarHBondContact O-CB 3.33Å; A3-Q7 PolarHBondContact O-N 3.08Å |
| 4 | D | 51.2 | Low | 61.2 | Low | 120 Ų | 120 | 92.3 Ų | 92.3 | 64% | 0.642 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.3 | -39.3 | 177.7 | -56.6 | -20.9 | 0 | 0 | 0 | 113.3 | P2 Q7 T8 | P2-D4 PolarHBondContact O-N 3.28Å; P2-D4 VanDerWaalsContact O-N 3.16Å; D4-Q7 PolarHBondContact O-N 3.15Å; D4-T8 WeakPolarHBondContact O-CB 3.49Å; D4-T8 PolarHBondContact O-N 3.35Å; D4-T8 PolarHBondContact O-OG1 3.31Å |
| 5 | V | 62.9 | Low | 62.2 | Low | 77 Ų | 77 | 92.5 Ų | 92.5 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.4 | -38.3 | -179.6 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | P2 A3 F9 | P2-V5 HydrophobicContact CB-CG2 4.13Å; P2-V5 HydrophobicContact CG-CG2 4Å; P2-V5 PolarHBondContact O-N 2.94Å; A3-V5 VanDerWaalsContact C-N 3.34Å; A3-V5 PolarHBondContact O-N 2.83Å; V5-F9 VanDerWaalsContact O-CB 3.28Å; V5-F9 WeakPolarHBondContact O-CB 3.42Å; V5-F9 PolarHBondContact O-N 3.41Å |
| 6 | A | 56.1 | Low | 63.1 | Low | 36 Ų | 36 | 88.8 Ų | 88.8 | 30% | 0.298 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P2 A3 F9 L10 | P2-A6 PolarHBondContact O-N 3.04Å; A3-A6 PolarHBondContact O-N 2.98Å; A6-F9 PolarHBondContact O-N 3.12Å; A6-L10 WeakPolarHBondContact O-CB 3.5Å; A6-L10 VanDerWaalsContact O-CG 3.24Å; A6-L10 WeakPolarHBondContact O-CG 3.43Å; A6-L10 PolarHBondContact O-N 3.5Å |
| 7 | Q | 61.5 | Low | 63.9 | Low | 103 Ų | 103 | 83.5 Ų | 83.5 | 48% | 0.481 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 177.3 | -168.2 | 161.5 | -4.3 | 0 | 0 | 112.1 | A3 D4 F9 L10 E11 | A3-Q7 WeakPolarHBondContact O-CB 3.33Å; A3-Q7 PolarHBondContact O-N 3.08Å; D4-Q7 PolarHBondContact O-N 3.15Å; Q7-F9 VanDerWaalsContact C-N 3.33Å; Q7-F9 PolarHBondContact O-N 2.88Å; Q7-L10 PolarHBondContact O-N 2.94Å; Q7-E11 WeakPolarHBondContact O-CG 3.37Å; Q7-E11 PolarHBondContact O-N 3.22Å |
| 8 | T | 67.3 | Low | 64.5 | Low | 69 Ų | 69 | 81.4 Ų | 81.4 | 42% | 0.423 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 175.5 | -45.1 | 0 | 0 | 0 | 0 | 111.9 | D4 K12 | D4-T8 WeakPolarHBondContact O-CB 3.49Å; D4-T8 PolarHBondContact O-N 3.35Å; D4-T8 PolarHBondContact O-OG1 3.31Å; T8-K12 WeakPolarHBondContact O-CG 3.48Å; T8-K12 PolarHBondContact O-N 3.38Å; T8-K12 VanDerWaalsContact O-N 3.08Å |
| 9 | F | 71.3 | Confident | 65.1 | Low | 135 Ų | 135 | 84.7 Ų | 84.7 | 59% | 0.592 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.9 | -43.5 | 174.6 | -180 | -93.2 | 0 | 0 | 0 | 111.2 | V5 A6 Q7 E11 K12 F13 | V5-F9 VanDerWaalsContact O-CB 3.28Å; V5-F9 WeakPolarHBondContact O-CB 3.42Å; V5-F9 PolarHBondContact O-N 3.41Å; A6-F9 PolarHBondContact O-N 3.12Å; Q7-F9 VanDerWaalsContact C-N 3.33Å; Q7-F9 PolarHBondContact O-N 2.88Å; F9-E11 VanDerWaalsContact C-N 3.35Å; F9-E11 PolarHBondContact O-N 3.19Å; F9-K12 PolarHBondContact O-N 3.23Å; F9-F13 HydrophobicContact CE1-CB 4.46Å; F9-F13 HydrophobicContact CE1-CD2 4.49Å; F9-F13 VanDerWaalsContact O-CB 3.31Å; F9-F13 WeakPolarHBondContact O-CB 3.45Å; F9-F13 PolarHBondContact O-N 3.46Å |
| 10 | L | 67.4 | Low | 65.5 | Low | 45 Ų | 45 | 83.5 Ų | 83.5 | 24% | 0.236 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60 | -43.5 | 174.5 | -75.4 | 164.3 | 0 | 0 | 0 | 111.3 | A6 Q7 K12 F13 D14 L39 | A6-L10 WeakPolarHBondContact O-CB 3.5Å; A6-L10 VanDerWaalsContact O-CG 3.24Å; A6-L10 WeakPolarHBondContact O-CG 3.43Å; A6-L10 PolarHBondContact O-N 3.5Å; Q7-L10 PolarHBondContact O-N 2.94Å; L10-K12 VanDerWaalsContact C-N 3.34Å; L10-K12 PolarHBondContact O-N 2.95Å; L10-F13 PolarHBondContact O-N 2.83Å; L10-D14 VanDerWaalsContact O-CB 3.31Å; L10-D14 WeakPolarHBondContact O-CB 3.27Å; L10-D14 VanDerWaalsContact O-CG 3.25Å; L10-D14 PolarHBondContact O-N 2.83Å; L10-L39 HydrophobicContact CD2-CD2 3.6Å |
| 11 | E | 69.7 | Low | 65.9 | Low | 111 Ų | 111 | 79.8 Ų | 79.8 | 52% | 0.519 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 175.1 | -75 | 176.6 | -179.3 | 0 | 0 | 112.3 | Q7 F9 C15 | Q7-E11 WeakPolarHBondContact O-CG 3.37Å; Q7-E11 PolarHBondContact O-N 3.22Å; F9-E11 VanDerWaalsContact C-N 3.35Å; F9-E11 PolarHBondContact O-N 3.19Å; E11-C15 PolarHBondContact O-N 3.23Å; E11-C15 VanDerWaalsContact O-N 3.08Å; E11-C15 PolarHBondContact O-SG 3.37Å |
| 12 | K | 72.3 | Confident | 67.5 | Low | 149 Ų | 149 | 74.9 Ų | 74.9 | 65% | 0.648 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -69.2 | -39.3 | 175.1 | -76.6 | -179 | 179.7 | -178.7 | 0 | 112.3 | T8 F9 L10 C15 A16 | T8-K12 WeakPolarHBondContact O-CG 3.48Å; T8-K12 PolarHBondContact O-N 3.38Å; T8-K12 VanDerWaalsContact O-N 3.08Å; F9-K12 PolarHBondContact O-N 3.23Å; L10-K12 VanDerWaalsContact C-N 3.34Å; L10-K12 PolarHBondContact O-N 2.95Å; K12-C15 WeakPolarHBondContact O-CB 3.43Å; K12-C15 PolarHBondContact O-N 3.5Å; K12-A16 PolarHBondContact O-N 3.37Å; K12-A16 VanDerWaalsContact O-N 3.13Å |
| 13 | F | 74.5 | Confident | 69.1 | Low | 64 Ų | 64 | 71.8 Ų | 71.8 | 28% | 0.281 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 176.6 | -169.1 | -94.9 | 0 | 0 | 0 | 110.7 | F9 L10 C15 A16 L17 A35 L39 | F9-F13 HydrophobicContact CE1-CB 4.46Å; F9-F13 HydrophobicContact CE1-CD2 4.49Å; F9-F13 VanDerWaalsContact O-CB 3.31Å; F9-F13 WeakPolarHBondContact O-CB 3.45Å; F9-F13 PolarHBondContact O-N 3.46Å; L10-F13 PolarHBondContact O-N 2.83Å; F13-C15 PolarHBondContact O-N 3.32Å; F13-A16 WeakPolarHBondContact O-CA 3.49Å; F13-A16 WeakPolarHBondContact O-CB 3.37Å; F13-A16 PolarHBondContact O-N 3.22Å; F13-L17 HydrophobicContact CD1-CD1 4.3Å; F13-L17 HydrophobicContact CD1-CD2 4.46Å; F13-L17 HydrophobicContact CD1-CG 4.21Å; F13-L17 HydrophobicContact CE1-CD1 4.29Å; F13-L17 HydrophobicContact CE1-CD2 3.82Å; F13-L17 HydrophobicContact CE1-CG 4.06Å; F13-L17 HydrophobicContact CZ-CD2 4.33Å; F13-L17 WeakPolarHBondContact O-CG 3.47Å; F13-L17 PolarHBondContact O-N 3.27Å; F13-A35 HydrophobicContact CE1-CB 4.17Å; F13-A35 HydrophobicContact CZ-CB 4.21Å; F13-L39 HydrophobicContact CD1-CD1 3.73Å; F13-L39 HydrophobicContact CE1-CD1 3.68Å |
| 14 | D | 70.4 | Confident | 70.1 | Confident | 26 Ų | 26 | 73.7 Ų | 73.7 | 14% | 0.139 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -57.2 | -38.1 | 171.6 | -79.2 | -10.6 | 0 | 0 | 0 | 111.8 | L10 A16 P18 | L10-D14 VanDerWaalsContact O-CB 3.31Å; L10-D14 WeakPolarHBondContact O-CB 3.27Å; L10-D14 VanDerWaalsContact O-CG 3.25Å; L10-D14 PolarHBondContact O-N 2.83Å; D14-A16 VanDerWaalsContact C-N 3.32Å; D14-P18 VanDerWaalsContact O-CD 3.27Å; D14-P18 WeakPolarHBondContact O-CD 3.32Å |
| 15 | C | 76.1 | Confident | 71.4 | Confident | 96 Ų | 96 | 73.2 Ų | 73.2 | 65% | 0.649 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -70.1 | -26.5 | 174.5 | -65.9 | 0 | 0 | 0 | 0 | 113.5 | E11 K12 F13 P18 | E11-C15 PolarHBondContact O-N 3.23Å; E11-C15 VanDerWaalsContact O-N 3.08Å; E11-C15 PolarHBondContact O-SG 3.37Å; K12-C15 WeakPolarHBondContact O-CB 3.43Å; K12-C15 PolarHBondContact O-N 3.5Å; F13-C15 PolarHBondContact O-N 3.32Å; C15-P18 WeakPolarHBondContact O-CD 3.34Å |
| 16 | A | 76.1 | Confident | 71.7 | Confident | 32 Ų | 32 | 72.7 Ų | 72.7 | 26% | 0.264 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -85.5 | -24.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K12 F13 D14 E19 L20 | K12-A16 PolarHBondContact O-N 3.37Å; K12-A16 VanDerWaalsContact O-N 3.13Å; F13-A16 WeakPolarHBondContact O-CA 3.49Å; F13-A16 WeakPolarHBondContact O-CB 3.37Å; F13-A16 PolarHBondContact O-N 3.22Å; D14-A16 VanDerWaalsContact C-N 3.32Å; A16-E19 WeakPolarHBondContact O-CB 3.23Å; A16-E19 PolarHBondContact O-N 3.32Å; A16-E19 VanDerWaalsContact O-N 3.07Å; A16-L20 PolarHBondContact O-N 2.92Å; A16-L20 VanDerWaalsContact O-N 3.14Å |
| 17 | L | 77.6 | Confident | 72.6 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -55.5 | -41.8 | 179.2 | -75.7 | 171.5 | 0 | 0 | 0 | 114.2 | F13 E19 L20 L21 A32 A35 I36 L39 F54 | F13-L17 HydrophobicContact CD1-CD1 4.3Å; F13-L17 HydrophobicContact CD1-CD2 4.46Å; F13-L17 HydrophobicContact CD1-CG 4.21Å; F13-L17 HydrophobicContact CE1-CD1 4.29Å; F13-L17 HydrophobicContact CE1-CD2 3.82Å; F13-L17 HydrophobicContact CE1-CG 4.06Å; F13-L17 HydrophobicContact CZ-CD2 4.33Å; F13-L17 WeakPolarHBondContact O-CG 3.47Å; F13-L17 PolarHBondContact O-N 3.27Å; L17-E19 VanDerWaalsContact C-N 3.31Å; L17-E19 PolarHBondContact O-N 2.98Å; L17-L20 PolarHBondContact O-N 3.44Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 VanDerWaalsContact O-CG 3.32Å; L17-L21 WeakPolarHBondContact O-CG 3.29Å; L17-L21 PolarHBondContact O-N 3.1Å; L17-A32 HydrophobicContact CD2-CB 4.48Å; L17-A35 HydrophobicContact CD2-CB 4.09Å; L17-I36 HydrophobicContact CD1-CG1 3.92Å; L17-I36 HydrophobicContact CD2-CG1 4.21Å; L17-L39 HydrophobicContact CD1-CD1 4.02Å; L17-F54 HydrophobicContact CD1-CE1 3.91Å |
| 18 | P | 74.8 | Confident | 73.3 | Confident | 45 Ų | 45 | 77.2 Ų | 77.2 | 29% | 0.292 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.2 | -35.6 | 174.2 | -23.9 | 33.7 | 0 | 0 | 0 | 113.8 | D14 C15 S22 Y57 | D14-P18 VanDerWaalsContact O-CD 3.27Å; D14-P18 WeakPolarHBondContact O-CD 3.32Å; C15-P18 WeakPolarHBondContact O-CD 3.34Å; P18-S22 WeakPolarHBondContact O-CB 3.25Å; P18-S22 PolarHBondContact O-N 3.26Å; P18-S22 VanDerWaalsContact O-N 3.09Å; P18-S22 PolarHBondContact O-OG 3.31Å; P18-Y57 HydrophobicContact CG-CD1 4.43Å; P18-Y57 HydrophobicContact CG-CD2 4.4Å; P18-Y57 HydrophobicContact CG-CE1 4.12Å; P18-Y57 HydrophobicContact CG-CE2 4.1Å |
| 19 | E | 76.3 | Confident | 73.8 | Confident | 144 Ų | 144 | 75.4 Ų | 75.4 | 67% | 0.673 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -67.7 | -46.1 | 178.3 | -65.3 | -175.5 | 164.9 | 0 | 0 | 110.4 | A16 L17 L21 S22 S23 | A16-E19 WeakPolarHBondContact O-CB 3.23Å; A16-E19 PolarHBondContact O-N 3.32Å; A16-E19 VanDerWaalsContact O-N 3.07Å; L17-E19 VanDerWaalsContact C-N 3.31Å; L17-E19 PolarHBondContact O-N 2.98Å; E19-L21 PolarHBondContact O-N 3.41Å; E19-S22 PolarHBondContact O-N 3.49Å; E19-S22 PolarHBondContact O-OG 3.49Å; E19-S23 PolarHBondContact O-N 2.9Å |
| 20 | L | 73.4 | Confident | 74.1 | Confident | 60 Ų | 60 | 70.7 Ų | 70.7 | 31% | 0.314 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 176.2 | -66.4 | 170.2 | 0 | 0 | 0 | 112.5 | A16 L17 S22 S23 A32 | A16-L20 PolarHBondContact O-N 2.92Å; A16-L20 VanDerWaalsContact O-N 3.14Å; L17-L20 PolarHBondContact O-N 3.44Å; L20-S22 VanDerWaalsContact C-N 3.26Å; L20-S22 PolarHBondContact O-N 3.43Å; L20-S23 VanDerWaalsContact O-CB 3.26Å; L20-S23 WeakPolarHBondContact O-CB 3.37Å; L20-S23 PolarHBondContact O-N 2.95Å; L20-A32 HydrophobicContact CB-CB 3.92Å |
| 21 | L | 72.4 | Confident | 74.6 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.2 | -29 | 174 | -73.4 | 171.5 | 0 | 0 | 0 | 112.4 | L17 E19 S23 K29 A32 I33 I36 M61 | L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 VanDerWaalsContact O-CG 3.32Å; L17-L21 WeakPolarHBondContact O-CG 3.29Å; L17-L21 PolarHBondContact O-N 3.1Å; E19-L21 PolarHBondContact O-N 3.41Å; L21-S23 VanDerWaalsContact C-N 3.34Å; L21-K29 VanDerWaalsContact O-CE 3.26Å; L21-K29 WeakPolarHBondContact O-CE 3.46Å; L21-A32 HydrophobicContact CD2-CB 3.7Å; L21-A32 HydrophobicContact CG-CB 3.9Å; L21-I33 HydrophobicContact CD2-CG1 4.1Å; L21-I36 HydrophobicContact CD1-CD1 3.85Å; L21-M61 HydrophobicContact CB-CE 4.31Å; L21-M61 HydrophobicContact CB-CG 4.47Å; L21-M61 HydrophobicContact CB-SD 3.98Å; L21-M61 HydrophobicContact CD2-CE 4.13Å; L21-M61 HydrophobicContact CD2-CG 4.23Å; L21-M61 HydrophobicContact CD2-SD 4.48Å; L21-M61 WeakPolarHBondContact O-CE 3.33Å |
| 22 | S | 74.9 | Confident | 75 | Confident | 94 Ų | 94 | 66 Ų | 66 | 66% | 0.657 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -1.9 | 178.4 | 70.8 | 0 | 0 | 0 | 0 | 114.9 | P18 E19 L20 | P18-S22 WeakPolarHBondContact O-CB 3.25Å; P18-S22 PolarHBondContact O-N 3.26Å; P18-S22 VanDerWaalsContact O-N 3.09Å; P18-S22 PolarHBondContact O-OG 3.31Å; E19-S22 PolarHBondContact O-N 3.49Å; E19-S22 PolarHBondContact O-OG 3.49Å; L20-S22 VanDerWaalsContact C-N 3.26Å; L20-S22 PolarHBondContact O-N 3.43Å |
| 23 | S | 76 | Confident | 75.3 | Confident | 22 Ų | 22 | 59 Ų | 59 | 15% | 0.154 | 34% | 0.339 | C | S | . | . | trans | -57 | 158.4 | 179.7 | 175 | 0 | 0 | 0 | 0 | 113.4 | E19 L20 L21 E25 E28 K29 | E19-S23 PolarHBondContact O-N 2.9Å; L20-S23 VanDerWaalsContact O-CB 3.26Å; L20-S23 WeakPolarHBondContact O-CB 3.37Å; L20-S23 PolarHBondContact O-N 2.95Å; L21-S23 VanDerWaalsContact C-N 3.34Å; S23-E25 PolarHBondContact OG-N 3.03Å; S23-E25 VanDerWaalsContact OG-N 3.11Å; S23-E28 WeakPolarHBondContact CB-OE2 3.48Å; S23-E28 PolarHBondContact OG-OE2 2.62Å; S23-K29 WeakPolarHBondContact O-CE 3.35Å; S23-K29 PolarHBondContact O-NZ 2.87Å | ||
| 24 | S | 70.9 | Confident | 75.5 | Confident | 114 Ų | 114 | 58.2 Ų | 58.2 | 80% | 0.797 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -79.5 | -19.9 | 170.6 | 50 | 0 | 0 | 0 | 0 | 113.2 | ||
| 25 | E | 77 | Confident | 75.8 | Confident | 109 Ų | 109 | 58.1 Ų | 58.1 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | trans | -89.9 | 131.8 | -174.4 | -62.3 | -156 | 168 | 0 | 0 | 112.5 | S23 E27 E28 K29 | S23-E25 PolarHBondContact OG-N 3.03Å; S23-E25 VanDerWaalsContact OG-N 3.11Å; E25-E27 VanDerWaalsContact C-N 3.31Å; E25-E27 PolarHBondContact O-N 3.39Å; E25-E28 HydrophobicContact CB-CG 4.34Å; E25-K29 PolarHBondContact O-N 3.33Å | ||
| 26 | P | 69.9 | Low | 75.9 | Confident | 66 Ų | 66 | 53.5 Ų | 53.5 | 43% | 0.429 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.4 | -29.8 | -178.2 | 26.8 | -33.3 | 0 | 0 | 0 | 112.6 | K29 T30 L69 | P26-K29 PolarHBondContact O-N 3.29Å; P26-T30 WeakPolarHBondContact O-CB 3.2Å; P26-T30 PolarHBondContact O-N 3.12Å; P26-T30 PolarHBondContact O-OG1 3.36Å; P26-L69 HydrophobicContact CB-CD1 3.92Å |
| 27 | E | 75.2 | Confident | 75.7 | Confident | 151 Ų | 151 | 52.5 Ų | 52.5 | 71% | 0.706 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.9 | -43.1 | 179.3 | -64.3 | 178.5 | -172.5 | 0 | 0 | 111.4 | E25 K29 T30 A31 | E25-E27 VanDerWaalsContact C-N 3.31Å; E25-E27 PolarHBondContact O-N 3.39Å; E27-K29 PolarHBondContact O-N 3.46Å; E27-T30 PolarHBondContact O-N 3.33Å; E27-A31 WeakPolarHBondContact O-CB 3.21Å; E27-A31 PolarHBondContact O-N 3.01Å |
| 28 | E | 76.4 | Confident | 75.4 | Confident | 83 Ų | 83 | 55.4 Ų | 55.4 | 39% | 0.388 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 177.2 | -67 | -169.5 | 154.1 | 0 | 0 | 112.3 | S23 E25 A31 A32 | S23-E28 WeakPolarHBondContact CB-OE2 3.48Å; S23-E28 PolarHBondContact OG-OE2 2.62Å; E25-E28 HydrophobicContact CB-CG 4.34Å; E28-A31 PolarHBondContact O-N 3.11Å; E28-A32 WeakPolarHBondContact O-CB 3.36Å; E28-A32 PolarHBondContact O-N 2.71Å |
| 29 | K | 77.3 | Confident | 75.1 | Confident | 32 Ų | 32 | 54.9 Ų | 54.9 | 14% | 0.139 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 173.2 | -70.4 | 175.1 | 174.2 | 168.3 | 0 | 112 | L21 S23 E25 P26 E27 A31 A32 I33 M61 M64 L69 | L21-K29 VanDerWaalsContact O-CE 3.26Å; L21-K29 WeakPolarHBondContact O-CE 3.46Å; S23-K29 WeakPolarHBondContact O-CE 3.35Å; S23-K29 PolarHBondContact O-NZ 2.87Å; E25-K29 PolarHBondContact O-N 3.33Å; P26-K29 PolarHBondContact O-N 3.29Å; E27-K29 PolarHBondContact O-N 3.46Å; K29-A31 VanDerWaalsContact C-N 3.34Å; K29-A32 PolarHBondContact O-N 3.29Å; K29-I33 VanDerWaalsContact O-CG1 3.29Å; K29-I33 WeakPolarHBondContact O-CG1 3.3Å; K29-I33 PolarHBondContact O-N 2.94Å; K29-M61 HydrophobicContact CB-CE 4.21Å; K29-M61 HydrophobicContact CD-CE 3.59Å; K29-M61 HydrophobicContact CG-CE 3.76Å; K29-M64 HydrophobicContact CD-CE 4.32Å; K29-M64 HydrophobicContact CD-SD 4.13Å; K29-L69 HydrophobicContact CB-CD1 4.28Å; K29-L69 HydrophobicContact CB-CD2 3.62Å; K29-L69 HydrophobicContact CD-CD1 4.14Å |
| 30 | T | 78.2 | Confident | 74.4 | Confident | 36 Ų | 36 | 49.7 Ų | 49.7 | 22% | 0.221 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 178.5 | -47.4 | 0 | 0 | 0 | 0 | 110 | P26 E27 A32 I33 F34 L69 L72 | P26-T30 WeakPolarHBondContact O-CB 3.2Å; P26-T30 PolarHBondContact O-N 3.12Å; P26-T30 PolarHBondContact O-OG1 3.36Å; E27-T30 PolarHBondContact O-N 3.33Å; T30-A32 PolarHBondContact O-N 3.41Å; T30-I33 PolarHBondContact O-N 3.43Å; T30-F34 HydrophobicContact CG2-CD2 3.96Å; T30-F34 HydrophobicContact CG2-CE2 3.51Å; T30-F34 HydrophobicContact CG2-CZ 4.18Å; T30-F34 VanDerWaalsContact O-CD2 3.28Å; T30-F34 WeakPolarHBondContact O-CD2 3.39Å; T30-F34 PolarHBondContact O-N 2.63Å; T30-L69 WeakPolarHBondContact OG1-CD2 3.29Å; T30-L72 HydrophobicContact CG2-CD2 4.19Å |
| 31 | A | 76.8 | Confident | 73.6 | Confident | 57 Ų | 57 | 49.6 Ų | 49.6 | 47% | 0.471 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E27 E28 K29 F34 A35 | E27-A31 WeakPolarHBondContact O-CB 3.21Å; E27-A31 PolarHBondContact O-N 3.01Å; E28-A31 PolarHBondContact O-N 3.11Å; K29-A31 VanDerWaalsContact C-N 3.34Å; A31-F34 PolarHBondContact O-N 3.04Å; A31-A35 VanDerWaalsContact O-CB 3.26Å; A31-A35 WeakPolarHBondContact O-CB 3.49Å; A31-A35 PolarHBondContact O-N 2.96Å |
| 32 | A | 79.5 | Confident | 72.8 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L17 L20 L21 E28 K29 T30 A35 I36 | L17-A32 HydrophobicContact CD2-CB 4.48Å; L20-A32 HydrophobicContact CB-CB 3.92Å; L21-A32 HydrophobicContact CD2-CB 3.7Å; L21-A32 HydrophobicContact CG-CB 3.9Å; E28-A32 WeakPolarHBondContact O-CB 3.36Å; E28-A32 PolarHBondContact O-N 2.71Å; K29-A32 PolarHBondContact O-N 3.29Å; T30-A32 PolarHBondContact O-N 3.41Å; A32-A35 PolarHBondContact O-N 3.23Å; A32-I36 VanDerWaalsContact O-CG1 3.31Å; A32-I36 WeakPolarHBondContact O-CG1 3.41Å; A32-I36 PolarHBondContact O-N 2.88Å |
| 33 | I | 78.5 | Confident | 71.6 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 174.8 | -66 | 163.9 | 0 | 0 | 0 | 110.4 | L21 K29 T30 A35 I36 V37 L58 L69 L72 A73 A76 | L21-I33 HydrophobicContact CD2-CG1 4.1Å; K29-I33 VanDerWaalsContact O-CG1 3.29Å; K29-I33 WeakPolarHBondContact O-CG1 3.3Å; K29-I33 PolarHBondContact O-N 2.94Å; T30-I33 PolarHBondContact O-N 3.43Å; I33-A35 VanDerWaalsContact C-N 3.33Å; I33-A35 PolarHBondContact O-N 3.22Å; I33-I36 PolarHBondContact O-N 3.3Å; I33-V37 WeakPolarHBondContact O-CG2 3.3Å; I33-V37 PolarHBondContact O-N 3.35Å; I33-V37 VanDerWaalsContact O-N 3.17Å; I33-L58 HydrophobicContact CG1-CD2 3.94Å; I33-L58 HydrophobicContact CG2-CD2 4.49Å; I33-L69 HydrophobicContact CD1-CD2 3.83Å; I33-L72 HydrophobicContact CD1-CB 4.39Å; I33-L72 HydrophobicContact CG2-CB 4.37Å; I33-L72 HydrophobicContact CG2-CD2 4.07Å; I33-A73 HydrophobicContact CD1-CB 4.02Å; I33-A76 HydrophobicContact CG2-CB 3.75Å |
| 34 | F | 78.6 | Confident | 70.3 | Confident | 48 Ų | 48 | 56.5 Ų | 56.5 | 21% | 0.211 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.5 | -71.7 | -44.7 | 0 | 0 | 0 | 112.2 | T30 A31 V37 C38 L72 I269 L272 V273 | T30-F34 HydrophobicContact CG2-CD2 3.96Å; T30-F34 HydrophobicContact CG2-CE2 3.51Å; T30-F34 HydrophobicContact CG2-CZ 4.18Å; T30-F34 VanDerWaalsContact O-CD2 3.28Å; T30-F34 WeakPolarHBondContact O-CD2 3.39Å; T30-F34 PolarHBondContact O-N 2.63Å; A31-F34 PolarHBondContact O-N 3.04Å; F34-V37 PolarHBondContact O-N 3.34Å; F34-C38 WeakPolarHBondContact O-CB 3.46Å; F34-C38 PolarHBondContact O-N 3.15Å; F34-C38 PolarHBondContact O-SG 3.26Å; F34-L72 HydrophobicContact CD1-CD2 4.15Å; F34-L72 HydrophobicContact CE1-CD2 3.51Å; F34-L72 HydrophobicContact CE2-CD2 4.32Å; F34-L72 HydrophobicContact CZ-CD2 3.62Å; F34-I269 HydrophobicContact CD1-CG1 4.09Å; F34-I269 HydrophobicContact CD1-CG2 4.33Å; F34-I269 HydrophobicContact CE1-CB 4.44Å; F34-I269 HydrophobicContact CE1-CG1 4.34Å; F34-I269 HydrophobicContact CE1-CG2 3.77Å; F34-I269 HydrophobicContact CZ-CG2 4.02Å; F34-L272 HydrophobicContact CD1-CD1 4.18Å; F34-L272 HydrophobicContact CE1-CD1 4.26Å; F34-V273 HydrophobicContact CE1-CG2 4.06Å; F34-V273 HydrophobicContact CZ-CG2 3.83Å |
| 35 | A | 76.5 | Confident | 69.2 | Low | 23 Ų | 23 | 55 Ų | 55 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F13 L17 A31 A32 I33 V37 C38 L39 | F13-A35 HydrophobicContact CE1-CB 4.17Å; F13-A35 HydrophobicContact CZ-CB 4.21Å; L17-A35 HydrophobicContact CD2-CB 4.09Å; A31-A35 VanDerWaalsContact O-CB 3.26Å; A31-A35 WeakPolarHBondContact O-CB 3.49Å; A31-A35 PolarHBondContact O-N 2.96Å; A32-A35 PolarHBondContact O-N 3.23Å; I33-A35 VanDerWaalsContact C-N 3.33Å; I33-A35 PolarHBondContact O-N 3.22Å; A35-V37 VanDerWaalsContact C-N 3.28Å; A35-V37 PolarHBondContact O-N 3.28Å; A35-C38 PolarHBondContact O-N 3.4Å; A35-L39 WeakPolarHBondContact O-CB 3.26Å; A35-L39 VanDerWaalsContact O-CG 3.24Å; A35-L39 WeakPolarHBondContact O-CG 3.38Å; A35-L39 PolarHBondContact O-N 3.49Å |
| 36 | I | 77.7 | Confident | 67.8 | Low | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.2 | -44 | 175.5 | -74.4 | 167.7 | 0 | 0 | 0 | 111.2 | L17 L21 A32 I33 F54 L58 L80 | L17-I36 HydrophobicContact CD1-CG1 3.92Å; L17-I36 HydrophobicContact CD2-CG1 4.21Å; L21-I36 HydrophobicContact CD1-CD1 3.85Å; A32-I36 VanDerWaalsContact O-CG1 3.31Å; A32-I36 WeakPolarHBondContact O-CG1 3.41Å; A32-I36 PolarHBondContact O-N 2.88Å; I33-I36 PolarHBondContact O-N 3.3Å; I36-F54 HydrophobicContact CG1-CD1 4.32Å; I36-F54 HydrophobicContact CG2-CB 3.75Å; I36-F54 HydrophobicContact CG2-CD1 4.35Å; I36-F54 HydrophobicContact CG2-CD2 4.17Å; I36-F54 HydrophobicContact CG2-CG 3.86Å; I36-L58 HydrophobicContact CD1-CD2 4.12Å; I36-L58 HydrophobicContact CD1-CG 4.4Å; I36-L58 HydrophobicContact CG2-CD1 4.36Å; I36-L80 HydrophobicContact CG2-CD1 3.74Å |
| 37 | V | 72 | Confident | 67.1 | Low | 10 Ų | 10 | 51.7 Ų | 51.7 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73.6 | -38.9 | -178 | 179.4 | 0 | 0 | 0 | 0 | 112 | I33 F34 A35 M40 A76 I268 L272 | I33-V37 WeakPolarHBondContact O-CG2 3.3Å; I33-V37 PolarHBondContact O-N 3.35Å; I33-V37 VanDerWaalsContact O-N 3.17Å; F34-V37 PolarHBondContact O-N 3.34Å; A35-V37 VanDerWaalsContact C-N 3.28Å; A35-V37 PolarHBondContact O-N 3.28Å; V37-M40 PolarHBondContact O-N 2.91Å; V37-A76 HydrophobicContact CG2-CB 3.49Å; V37-A76 VanDerWaalsContact CG2-CB 3.49Å; V37-I268 HydrophobicContact CG1-CB 4.37Å; V37-I268 HydrophobicContact CG1-CG2 3.41Å; V37-I268 VanDerWaalsContact CG1-CG2 3.41Å; V37-L272 HydrophobicContact CB-CD1 4.12Å; V37-L272 HydrophobicContact CG1-CD1 3.95Å; V37-L272 HydrophobicContact CG2-CD1 3.96Å |
| 38 | C | 70.2 | Confident | 66.2 | Low | 62 Ų | 62 | 47.8 Ų | 47.8 | 42% | 0.419 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 177.5 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | F34 A35 M40 Q41 | F34-C38 WeakPolarHBondContact O-CB 3.46Å; F34-C38 PolarHBondContact O-N 3.15Å; F34-C38 PolarHBondContact O-SG 3.26Å; A35-C38 PolarHBondContact O-N 3.4Å; C38-M40 PolarHBondContact O-N 2.86Å; C38-Q41 PolarHBondContact O-N 3.47Å |
| 39 | L | 69.1 | Low | 65.7 | Low | 34 Ų | 34 | 48.2 Ų | 48.2 | 18% | 0.178 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -25.3 | 179.3 | -75.4 | 170 | 0 | 0 | 0 | 113.8 | L10 F13 L17 A35 S42 | L10-L39 HydrophobicContact CD2-CD2 3.6Å; F13-L39 HydrophobicContact CD1-CD1 3.73Å; F13-L39 HydrophobicContact CE1-CD1 3.68Å; L17-L39 HydrophobicContact CD1-CD1 4.02Å; A35-L39 WeakPolarHBondContact O-CB 3.26Å; A35-L39 VanDerWaalsContact O-CG 3.24Å; A35-L39 WeakPolarHBondContact O-CG 3.38Å; A35-L39 PolarHBondContact O-N 3.49Å; L39-S42 PolarHBondContact O-OG 3.29Å |
| 40 | M | 62.3 | Low | 65.3 | Low | 35 Ų | 35 | 48.7 Ų | 48.7 | 17% | 0.172 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -81.7 | -23.1 | -180 | -76.3 | -115.1 | 55.5 | 0 | 0 | 113.5 | V37 C38 V51 F54 L80 | V37-M40 PolarHBondContact O-N 2.91Å; C38-M40 PolarHBondContact O-N 2.86Å; M40-V51 HydrophobicContact CE-CG2 3.66Å; M40-V51 HydrophobicContact SD-CB 4.44Å; M40-V51 HydrophobicContact SD-CG2 3.64Å; M40-F54 HydrophobicContact CG-CD2 3.78Å; M40-F54 HydrophobicContact CG-CE2 3.88Å; M40-F54 HydrophobicContact SD-CD2 3.78Å; M40-F54 HydrophobicContact SD-CE2 4.18Å; M40-L80 HydrophobicContact CB-CD2 3.62Å; M40-L80 HydrophobicContact CG-CD2 3.43Å; M40-L80 VanDerWaalsContact CG-CD2 3.43Å; M40-L80 HydrophobicContact SD-CD2 3.61Å |
| 41 | Q | 56 | Low | 64.8 | Low | 58 Ų | 58 | 47.2 Ų | 47.2 | 27% | 0.271 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -77.9 | -26.8 | 178.2 | -78.3 | -170.3 | -81.8 | 0 | 0 | 113.4 | C38 I268 | C38-Q41 PolarHBondContact O-N 3.47Å; Q41-I268 VanDerWaalsContact CD-CG1 3.5Å; Q41-I268 HydrophobicContact CG-CD1 3.57Å; Q41-I268 HydrophobicContact CG-CG1 4.49Å |
| 42 | S | 55.3 | Low | 64.5 | Low | 85 Ų | 85 | 46.7 Ų | 46.7 | 59% | 0.594 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -77.7 | -24.2 | -177.6 | 57.1 | 0 | 0 | 0 | 0 | 113.9 | L39 | L39-S42 PolarHBondContact O-OG 3.29Å |
| 43 | D | 50.6 | Low | 64.3 | Low | 47 Ų | 47 | 53.2 Ų | 53.2 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | trans | -124.1 | 69.3 | -174.8 | -82 | -8.8 | 0 | 0 | 0 | 110.5 | S45 R50 | D43-S45 PolarHBondContact O-N 2.8Å; D43-R50 IonicContact OD2-CZ 3.69Å; D43-R50 IonicContact OD2-NH1 3.51Å; D43-R50 PolarHBondContact OD2-NH1 3.08Å; D43-R50 IonicContact OD2-NH2 2.96Å | ||
| 44 | Q | 49.1 | Very low | 64.2 | Low | 135 Ų | 135 | 53.4 Ų | 53.4 | 63% | 0.631 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.9 | 176.4 | -73.2 | -176.8 | -14.7 | 0 | 0 | 113 | ||
| 45 | S | 47.7 | Very low | 64 | Low | 81 Ų | 81 | 51.1 Ų | 51.1 | 57% | 0.566 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -7.8 | -176.1 | 58.5 | 0 | 0 | 0 | 0 | 115.3 | D43 Q860 | D43-S45 PolarHBondContact O-N 2.8Å; S45-Q860 PolarHBondContact O-NE2 2.97Å; S45-Q860 VanDerWaalsContact O-NE2 3.16Å |
| 46 | V | 46.5 | Very low | 64.2 | Low | 58 Ų | 58 | 54.3 Ų | 54.3 | 35% | 0.352 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -120.6 | 94.4 | -167.9 | -172.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 47 | S | 56.5 | Low | 64.2 | Low | 49 Ų | 49 | 57 Ų | 57 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | trans | 64.5 | 120.4 | 149.7 | 88.9 | 0 | 0 | 0 | 0 | 120.3 | I49 R50 | S47-I49 PolarHBondContact O-N 3.47Å; S47-R50 PolarHBondContact O-N 2.92Å; S47-R50 PolarHBondContact OG-N 3.13Å | ||
| 48 | S | 56.2 | Low | 64.5 | Low | 68 Ų | 68 | 56.6 Ų | 56.6 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -45.1 | -20.9 | 158.1 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | S52 | S48-S52 WeakPolarHBondContact O-CB 3.38Å; S48-S52 PolarHBondContact O-N 3.12Å |
| 49 | I | 64 | Low | 64.8 | Low | 93 Ų | 93 | 55.8 Ų | 55.8 | 48% | 0.477 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.7 | -42.7 | 176.8 | -55.6 | 172.2 | 0 | 0 | 0 | 111.6 | S47 S52 R53 | S47-I49 PolarHBondContact O-N 3.47Å; I49-S52 PolarHBondContact O-N 3.46Å; I49-S52 PolarHBondContact O-OG 2.89Å; I49-R53 WeakPolarHBondContact O-CG 3.09Å; I49-R53 PolarHBondContact O-N 3.48Å |
| 50 | R | 69.5 | Low | 65 | Low | 41 Ų | 41 | 61 Ų | 61 | 16% | 0.155 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 175 | -80.4 | -167 | -159.4 | 156.4 | 7.7 | 111 | D43 S47 S52 R53 F54 | D43-R50 IonicContact OD2-CZ 3.69Å; D43-R50 IonicContact OD2-NH1 3.51Å; D43-R50 PolarHBondContact OD2-NH1 3.08Å; D43-R50 IonicContact OD2-NH2 2.96Å; S47-R50 PolarHBondContact O-N 2.92Å; S47-R50 PolarHBondContact OG-N 3.13Å; R50-S52 VanDerWaalsContact C-N 3.28Å; R50-S52 PolarHBondContact O-N 3.08Å; R50-R53 PolarHBondContact O-N 3.27Å; R50-R53 VanDerWaalsContact O-N 3.13Å; R50-F54 HydrophobicContact CB-CD2 4.32Å; R50-F54 HydrophobicContact CB-CE2 4.01Å; R50-F54 WeakPolarHBondContact O-CB 3.17Å; R50-F54 WeakPolarHBondContact O-CD2 3.31Å; R50-F54 WeakPolarHBondContact O-CG 3.39Å; R50-F54 PolarHBondContact O-N 2.96Å |
| 51 | V | 68.9 | Low | 65.4 | Low | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.036 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.4 | -45.3 | 175 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | M40 R53 F54 T55 Y88 | M40-V51 HydrophobicContact CE-CG2 3.66Å; M40-V51 HydrophobicContact SD-CB 4.44Å; M40-V51 HydrophobicContact SD-CG2 3.64Å; V51-R53 PolarHBondContact O-N 3.41Å; V51-F54 PolarHBondContact O-N 2.82Å; V51-T55 HydrophobicContact CG1-CG2 4.2Å; V51-T55 VanDerWaalsContact O-CB 3.3Å; V51-T55 WeakPolarHBondContact O-CB 3.46Å; V51-T55 VanDerWaalsContact O-CG2 3.23Å; V51-T55 WeakPolarHBondContact O-CG2 3.47Å; V51-T55 PolarHBondContact O-N 3.4Å; V51-T55 PolarHBondContact O-OG1 3.46Å; V51-Y88 HydrophobicContact CG1-CD1 4.04Å; V51-Y88 HydrophobicContact CG1-CE1 3.81Å |
| 52 | S | 69.5 | Low | 66.1 | Low | 46 Ų | 46 | 57.4 Ų | 57.4 | 32% | 0.322 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.8 | -35.7 | 178.7 | 92 | 0 | 0 | 0 | 0 | 113.2 | S48 I49 R50 T55 H56 Y88 | S48-S52 WeakPolarHBondContact O-CB 3.38Å; S48-S52 PolarHBondContact O-N 3.12Å; I49-S52 PolarHBondContact O-N 3.46Å; I49-S52 PolarHBondContact O-OG 2.89Å; R50-S52 VanDerWaalsContact C-N 3.28Å; R50-S52 PolarHBondContact O-N 3.08Å; S52-T55 WeakPolarHBondContact CA-OG1 3.18Å; S52-T55 PolarHBondContact O-OG1 2.84Å; S52-T55 VanDerWaalsContact O-OG1 3.04Å; S52-H56 WeakPolarHBondContact O-CB 3.32Å; S52-H56 PolarHBondContact O-N 3.32Å; S52-Y88 WeakPolarHBondContact CA-OH 3.33Å |
| 53 | R | 74.8 | Confident | 66.8 | Low | 137 Ų | 137 | 56.8 Ų | 56.8 | 52% | 0.517 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.8 | -48.8 | 174.2 | -73.2 | 177.8 | -170.6 | 176.3 | 4.3 | 111.9 | I49 R50 V51 H56 Y57 | I49-R53 WeakPolarHBondContact O-CG 3.09Å; I49-R53 PolarHBondContact O-N 3.48Å; R50-R53 PolarHBondContact O-N 3.27Å; R50-R53 VanDerWaalsContact O-N 3.13Å; V51-R53 PolarHBondContact O-N 3.41Å; R53-H56 CarbonylContact O-C 3.55Å; R53-H56 WeakPolarHBondContact O-CA 3.41Å; R53-H56 WeakPolarHBondContact O-CB 3.16Å; R53-H56 PolarHBondContact O-N 2.99Å; R53-H56 VanDerWaalsContact O-N 3.17Å; R53-Y57 HydrophobicContact CB-CE2 4.3Å; R53-Y57 WeakPolarHBondContact O-CD1 3.35Å; R53-Y57 WeakPolarHBondContact O-CD2 3.23Å; R53-Y57 PolarHBondContact O-N 2.8Å |
| 54 | F | 76.5 | Confident | 67.5 | Low | 5 Ų | 5 | 56.1 Ų | 56.1 | 2% | 0.022 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.9 | -43.7 | -179.7 | -66.4 | -31.9 | 0 | 0 | 0 | 112.1 | L17 I36 M40 R50 V51 H56 Y57 L58 | L17-F54 HydrophobicContact CD1-CE1 3.91Å; I36-F54 HydrophobicContact CG1-CD1 4.32Å; I36-F54 HydrophobicContact CG2-CB 3.75Å; I36-F54 HydrophobicContact CG2-CD1 4.35Å; I36-F54 HydrophobicContact CG2-CD2 4.17Å; I36-F54 HydrophobicContact CG2-CG 3.86Å; M40-F54 HydrophobicContact CG-CD2 3.78Å; M40-F54 HydrophobicContact CG-CE2 3.88Å; M40-F54 HydrophobicContact SD-CD2 3.78Å; M40-F54 HydrophobicContact SD-CE2 4.18Å; R50-F54 HydrophobicContact CB-CD2 4.32Å; R50-F54 HydrophobicContact CB-CE2 4.01Å; R50-F54 WeakPolarHBondContact O-CB 3.17Å; R50-F54 WeakPolarHBondContact O-CD2 3.31Å; R50-F54 WeakPolarHBondContact O-CG 3.39Å; R50-F54 PolarHBondContact O-N 2.96Å; V51-F54 PolarHBondContact O-N 2.82Å; F54-H56 VanDerWaalsContact C-N 3.28Å; F54-H56 PolarHBondContact O-N 3.42Å; F54-Y57 AromaticContact CD1-CD2 3.98Å; F54-Y57 HydrophobicContact CD1-CD2 3.98Å; F54-Y57 HydrophobicContact CD1-CE2 4.17Å; F54-Y57 PolarHBondContact O-N 3.25Å; F54-Y57 VanDerWaalsContact O-N 3.14Å; F54-L58 VanDerWaalsContact O-CG 3.32Å; F54-L58 WeakPolarHBondContact O-CG 3.32Å; F54-L58 PolarHBondContact O-N 2.95Å |
| 55 | T | 75.2 | Confident | 68 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 172.1 | 54.5 | 0 | 0 | 0 | 0 | 111.5 | V51 S52 L58 R59 L80 Y88 Y92 | V51-T55 HydrophobicContact CG1-CG2 4.2Å; V51-T55 VanDerWaalsContact O-CB 3.3Å; V51-T55 WeakPolarHBondContact O-CB 3.46Å; V51-T55 VanDerWaalsContact O-CG2 3.23Å; V51-T55 WeakPolarHBondContact O-CG2 3.47Å; V51-T55 PolarHBondContact O-N 3.4Å; V51-T55 PolarHBondContact O-OG1 3.46Å; S52-T55 WeakPolarHBondContact CA-OG1 3.18Å; S52-T55 PolarHBondContact O-OG1 2.84Å; S52-T55 VanDerWaalsContact O-OG1 3.04Å; T55-L58 PolarHBondContact O-N 3.12Å; T55-R59 WeakPolarHBondContact O-CB 3.4Å; T55-R59 WeakPolarHBondContact O-CG 3.2Å; T55-R59 PolarHBondContact O-N 3.32Å; T55-L80 HydrophobicContact CG2-CB 4.45Å; T55-Y88 HydrophobicContact CG2-CE1 4.44Å; T55-Y88 PolarHBondContact OG1-OH 3.33Å; T55-Y92 HydrophobicContact CG2-CD2 4.1Å; T55-Y92 HydrophobicContact CG2-CE2 3.84Å |
| 56 | H | 80.4 | Confident | 69.1 | Low | 90 Ų | 90 | 54.2 Ų | 54.2 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 172 | -176.8 | 83.3 | 0 | 0 | 0 | 112.9 | S52 R53 F54 R59 K60 | S52-H56 WeakPolarHBondContact O-CB 3.32Å; S52-H56 PolarHBondContact O-N 3.32Å; R53-H56 CarbonylContact O-C 3.55Å; R53-H56 WeakPolarHBondContact O-CA 3.41Å; R53-H56 WeakPolarHBondContact O-CB 3.16Å; R53-H56 PolarHBondContact O-N 2.99Å; R53-H56 VanDerWaalsContact O-N 3.17Å; F54-H56 VanDerWaalsContact C-N 3.28Å; F54-H56 PolarHBondContact O-N 3.42Å; H56-R59 WeakPolarHBondContact O-CB 3.19Å; H56-R59 PolarHBondContact O-N 3.5Å; H56-K60 VanDerWaalsContact NE2-CE 3.33Å; H56-K60 WeakPolarHBondContact NE2-CE 3.19Å; H56-K60 PolarHBondContact O-N 2.84Å |
| 57 | Y | 78.1 | Confident | 69.9 | Low | 57 Ų | 57 | 54 Ų | 54 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 175 | -59.2 | -27.4 | 0 | 0 | 0 | 111.5 | P18 R53 F54 R59 K60 | P18-Y57 HydrophobicContact CG-CD1 4.43Å; P18-Y57 HydrophobicContact CG-CD2 4.4Å; P18-Y57 HydrophobicContact CG-CE1 4.12Å; P18-Y57 HydrophobicContact CG-CE2 4.1Å; R53-Y57 HydrophobicContact CB-CE2 4.3Å; R53-Y57 WeakPolarHBondContact O-CD1 3.35Å; R53-Y57 WeakPolarHBondContact O-CD2 3.23Å; R53-Y57 PolarHBondContact O-N 2.8Å; F54-Y57 AromaticContact CD1-CD2 3.98Å; F54-Y57 HydrophobicContact CD1-CD2 3.98Å; F54-Y57 HydrophobicContact CD1-CE2 4.17Å; F54-Y57 PolarHBondContact O-N 3.25Å; F54-Y57 VanDerWaalsContact O-N 3.14Å; Y57-R59 VanDerWaalsContact C-N 3.28Å; Y57-R59 PolarHBondContact O-N 3.24Å; Y57-K60 PolarHBondContact O-N 3.42Å |
| 58 | L | 77.2 | Confident | 70.5 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.1 | -34.8 | 175.7 | -66.1 | 172.2 | 0 | 0 | 0 | 111.8 | I33 I36 F54 T55 K60 M61 A73 A76 L80 | I33-L58 HydrophobicContact CG1-CD2 3.94Å; I33-L58 HydrophobicContact CG2-CD2 4.49Å; I36-L58 HydrophobicContact CD1-CD2 4.12Å; I36-L58 HydrophobicContact CD1-CG 4.4Å; I36-L58 HydrophobicContact CG2-CD1 4.36Å; F54-L58 VanDerWaalsContact O-CG 3.32Å; F54-L58 WeakPolarHBondContact O-CG 3.32Å; F54-L58 PolarHBondContact O-N 2.95Å; T55-L58 PolarHBondContact O-N 3.12Å; L58-K60 VanDerWaalsContact C-N 3.31Å; L58-K60 PolarHBondContact O-N 3.3Å; L58-M61 WeakPolarHBondContact O-CB 3.37Å; L58-M61 PolarHBondContact O-N 2.93Å; L58-M61 VanDerWaalsContact O-N 3.11Å; L58-A73 HydrophobicContact CD2-CB 4.21Å; L58-A76 HydrophobicContact CD1-CB 3.99Å; L58-L80 HydrophobicContact CD1-CD1 3.69Å |
| 59 | R | 76.8 | Confident | 71.4 | Confident | 45 Ų | 45 | 51.7 Ų | 51.7 | 17% | 0.17 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.1 | -35 | 175.4 | -82.4 | 170.5 | 175.7 | 170.6 | 1.6 | 113.6 | T55 H56 Y57 M61 L62 E96 | T55-R59 WeakPolarHBondContact O-CB 3.4Å; T55-R59 WeakPolarHBondContact O-CG 3.2Å; T55-R59 PolarHBondContact O-N 3.32Å; H56-R59 WeakPolarHBondContact O-CB 3.19Å; H56-R59 PolarHBondContact O-N 3.5Å; Y57-R59 VanDerWaalsContact C-N 3.28Å; Y57-R59 PolarHBondContact O-N 3.24Å; R59-M61 PolarHBondContact O-N 3.23Å; R59-L62 HydrophobicContact CG-CD1 4.43Å; R59-L62 PolarHBondContact O-N 3.32Å; R59-E96 WeakPolarHBondContact CD-OE1 3.47Å; R59-E96 VanDerWaalsContact CG-OE1 3.24Å; R59-E96 WeakPolarHBondContact CG-OE1 3.22Å; R59-E96 IonicContact CZ-OE1 3.8Å; R59-E96 IonicContact NE-OE1 2.91Å; R59-E96 PolarHBondContact NE-OE1 3.47Å; R59-E96 IonicContact NH2-OE1 3.97Å |
| 60 | K | 74.4 | Confident | 72 | Confident | 143 Ų | 143 | 47.3 Ų | 47.3 | 62% | 0.622 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -68 | -19.1 | 178 | -72.7 | -175 | 178.6 | 177.3 | 0 | 112.7 | H56 Y57 L58 P63 | H56-K60 VanDerWaalsContact NE2-CE 3.33Å; H56-K60 WeakPolarHBondContact NE2-CE 3.19Å; H56-K60 PolarHBondContact O-N 2.84Å; Y57-K60 PolarHBondContact O-N 3.42Å; L58-K60 VanDerWaalsContact C-N 3.31Å; L58-K60 PolarHBondContact O-N 3.3Å; K60-P63 WeakPolarHBondContact O-CD 3.37Å |
| 61 | M | 71.1 | Confident | 72.2 | Confident | 14 Ų | 14 | 46.5 Ų | 46.5 | 7% | 0.069 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -12.8 | -178.5 | -62.8 | -64.2 | -79.1 | 0 | 0 | 114.1 | L21 K29 L58 R59 M64 | L21-M61 HydrophobicContact CB-CE 4.31Å; L21-M61 HydrophobicContact CB-CG 4.47Å; L21-M61 HydrophobicContact CB-SD 3.98Å; L21-M61 HydrophobicContact CD2-CE 4.13Å; L21-M61 HydrophobicContact CD2-CG 4.23Å; L21-M61 HydrophobicContact CD2-SD 4.48Å; L21-M61 WeakPolarHBondContact O-CE 3.33Å; K29-M61 HydrophobicContact CB-CE 4.21Å; K29-M61 HydrophobicContact CD-CE 3.59Å; K29-M61 HydrophobicContact CG-CE 3.76Å; L58-M61 WeakPolarHBondContact O-CB 3.37Å; L58-M61 PolarHBondContact O-N 2.93Å; L58-M61 VanDerWaalsContact O-N 3.11Å; R59-M61 PolarHBondContact O-N 3.23Å; M61-M64 HydrophobicContact CB-CE 4.15Å; M61-M64 HydrophobicContact CE-CE 3.45Å; M61-M64 VanDerWaalsContact CE-CE 3.45Å; M61-M64 HydrophobicContact CE-SD 3.67Å; M61-M64 WeakPolarHBondContact O-CE 3.47Å; M61-M64 WeakPolarHBondContact O-CG 3.23Å; M61-M64 HydrophobicContact SD-CE 4.41Å; M61-M64 HydrophobicContact SD-SD 4.26Å |
| 62 | L | 70 | Confident | 72.5 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -65.5 | -33.8 | -173.9 | -65 | 167.5 | 0 | 0 | 0 | 115.1 | R59 M64 V70 I74 W103 S118 V122 | R59-L62 HydrophobicContact CG-CD1 4.43Å; R59-L62 PolarHBondContact O-N 3.32Å; L62-M64 PolarHBondContact O-N 3.16Å; L62-V70 HydrophobicContact CD2-CG1 4.24Å; L62-I74 HydrophobicContact CD2-CD1 3.82Å; L62-I74 HydrophobicContact CD2-CG1 3.34Å; L62-W103 HydrophobicContact CB-CH2 4.29Å; L62-W103 HydrophobicContact CB-CZ3 4.49Å; L62-S118 VanDerWaalsContact O-CB 3.27Å; L62-S118 WeakPolarHBondContact O-CB 3.43Å; L62-S118 PolarHBondContact O-OG 2.88Å; L62-V122 HydrophobicContact CD2-CG2 4.38Å |
| 63 | P | 69.1 | Low | 72.9 | Confident | 71 Ų | 71 | 45.2 Ų | 45.2 | 46% | 0.461 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -81.3 | 49.7 | 176.1 | 31.1 | -31.6 | 0 | 0 | 0 | 113.3 | K60 | K60-P63 WeakPolarHBondContact O-CD 3.37Š|
| 64 | M | 66 | Low | 73 | Confident | 33 Ų | 33 | 38.9 Ų | 38.9 | 16% | 0.163 | 21% | 0.206 | C | C | . | . | trans | -108.8 | 160.6 | 176.5 | -72.9 | -164.7 | -48.6 | 0 | 0 | 112.4 | K29 M61 L62 L69 V70 | K29-M64 HydrophobicContact CD-CE 4.32Å; K29-M64 HydrophobicContact CD-SD 4.13Å; M61-M64 HydrophobicContact CB-CE 4.15Å; M61-M64 HydrophobicContact CE-CE 3.45Å; M61-M64 VanDerWaalsContact CE-CE 3.45Å; M61-M64 HydrophobicContact CE-SD 3.67Å; M61-M64 WeakPolarHBondContact O-CE 3.47Å; M61-M64 WeakPolarHBondContact O-CG 3.23Å; M61-M64 HydrophobicContact SD-CE 4.41Å; M61-M64 HydrophobicContact SD-SD 4.26Å; L62-M64 PolarHBondContact O-N 3.16Å; M64-L69 HydrophobicContact CE-CB 4.06Å; M64-V70 HydrophobicContact CB-CG2 4.32Å | ||
| 65 | S | 60.2 | Low | 72.9 | Confident | 112 Ų | 112 | 39.4 Ų | 39.4 | 78% | 0.783 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -84.3 | -16.3 | -179.2 | 52.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 66 | D | 69.8 | Low | 72.8 | Confident | 64 Ų | 64 | 39.4 Ų | 39.4 | 34% | 0.342 | 21% | 0.208 | S | C | . | . | trans | -91.6 | 117.1 | -173.8 | -163.6 | -27.1 | 0 | 0 | 0 | 112.1 | S68 L69 V70 | D66-S68 PolarHBondContact O-N 3.46Å; D66-S68 PolarHBondContact OD1-N 3.48Å; D66-S68 PolarHBondContact OD1-OG 3.4Å; D66-L69 HydrophobicContact CB-CB 4.47Å; D66-L69 HydrophobicContact CB-CD1 4.12Å; D66-V70 WeakPolarHBondContact O-CG2 3.43Å; D66-V70 PolarHBondContact O-N 2.93Å | ||
| 67 | L | 64.1 | Low | 72.5 | Confident | 53 Ų | 53 | 35.1 Ų | 35.1 | 28% | 0.277 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.3 | -39.9 | -173.2 | 177.1 | 62.3 | 0 | 0 | 0 | 113 | E71 F117 V121 R159 | L67-E71 HydrophobicContact CD1-CG 4.37Å; L67-E71 PolarHBondContact O-N 3.15Å; L67-E71 VanDerWaalsContact O-N 3.08Å; L67-F117 HydrophobicContact CB-CE1 3.78Å; L67-F117 HydrophobicContact CB-CZ 4.03Å; L67-F117 HydrophobicContact CD1-CE1 3.47Å; L67-F117 VanDerWaalsContact CD1-CE1 3.47Å; L67-F117 HydrophobicContact CD1-CZ 3.61Å; L67-F117 HydrophobicContact CD2-CZ 4.16Å; L67-F117 HydrophobicContact CG-CE1 4.12Å; L67-F117 HydrophobicContact CG-CZ 4.13Å; L67-V121 HydrophobicContact CD1-CG2 3.7Å; L67-R159 HydrophobicContact CD1-CG 4.33Å |
| 68 | S | 69.2 | Low | 72.1 | Confident | 65 Ų | 65 | 32.5 Ų | 32.5 | 46% | 0.455 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -67.9 | -41.9 | -173.9 | 61.2 | 0 | 0 | 0 | 0 | 111.4 | D66 L72 | D66-S68 PolarHBondContact O-N 3.46Å; D66-S68 PolarHBondContact OD1-N 3.48Å; D66-S68 PolarHBondContact OD1-OG 3.4Å; S68-L72 WeakPolarHBondContact O-CB 3.29Å; S68-L72 PolarHBondContact O-N 3.1Å |
| 69 | L | 74.5 | Confident | 71.8 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.3 | -38.4 | 179 | -81.1 | 162.2 | 0 | 0 | 0 | 112.8 | P26 K29 T30 I33 M64 D66 L72 A73 | P26-L69 HydrophobicContact CB-CD1 3.92Å; K29-L69 HydrophobicContact CB-CD1 4.28Å; K29-L69 HydrophobicContact CB-CD2 3.62Å; K29-L69 HydrophobicContact CD-CD1 4.14Å; T30-L69 WeakPolarHBondContact OG1-CD2 3.29Å; I33-L69 HydrophobicContact CD1-CD2 3.83Å; M64-L69 HydrophobicContact CE-CB 4.06Å; D66-L69 HydrophobicContact CB-CB 4.47Å; D66-L69 HydrophobicContact CB-CD1 4.12Å; L69-L72 PolarHBondContact O-N 3.27Å; L69-A73 WeakPolarHBondContact O-CB 3.36Å; L69-A73 PolarHBondContact O-N 3.06Å |
| 70 | V | 75.8 | Confident | 71.4 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.7 | -45.4 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | L62 M64 D66 L72 A73 I74 V121 | L62-V70 HydrophobicContact CD2-CG1 4.24Å; M64-V70 HydrophobicContact CB-CG2 4.32Å; D66-V70 WeakPolarHBondContact O-CG2 3.43Å; D66-V70 PolarHBondContact O-N 2.93Å; V70-L72 PolarHBondContact O-N 3.33Å; V70-A73 PolarHBondContact O-N 2.88Å; V70-I74 HydrophobicContact CG1-CD1 3.53Å; V70-I74 HydrophobicContact CG1-CG1 4.4Å; V70-I74 VanDerWaalsContact O-CD1 3.29Å; V70-I74 WeakPolarHBondContact O-CD1 3.45Å; V70-I74 WeakPolarHBondContact O-CG1 3.4Å; V70-I74 PolarHBondContact O-N 3.39Å; V70-V121 HydrophobicContact CG1-CG1 4.34Å |
| 71 | E | 74.4 | Confident | 71 | Confident | 25 Ų | 25 | 26 Ų | 26 | 12% | 0.117 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.5 | -47.2 | 173.1 | -79.3 | -170.4 | -172.9 | 0 | 0 | 111.3 | L67 I74 R75 V121 K124 R159 | L67-E71 HydrophobicContact CD1-CG 4.37Å; L67-E71 PolarHBondContact O-N 3.15Å; L67-E71 VanDerWaalsContact O-N 3.08Å; E71-I74 PolarHBondContact O-N 3.38Å; E71-R75 WeakPolarHBondContact O-CB 3.4Å; E71-R75 WeakPolarHBondContact O-CG 3.47Å; E71-R75 PolarHBondContact O-N 3.34Å; E71-R75 IonicContact OE2-CZ 3.9Å; E71-R75 IonicContact OE2-NH2 2.85Å; E71-R75 PolarHBondContact OE2-NH2 2.9Å; E71-V121 HydrophobicContact CB-CG1 4.38Å; E71-V121 HydrophobicContact CG-CG1 3.4Å; E71-V121 VanDerWaalsContact CG-CG1 3.4Å; E71-K124 IonicContact OE1-NZ 3.56Å; E71-K124 PolarHBondContact OE1-NZ 3.19Å; E71-R159 IonicContact OE1-NH1 3.95Å; E71-R159 PolarHBondContact OE1-NH1 3.44Å |
| 72 | L | 75.3 | Confident | 70.7 | Confident | 22 Ų | 22 | 28.8 Ų | 28.8 | 12% | 0.115 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | 177.5 | -111.8 | 106 | 0 | 0 | 0 | 112.7 | T30 I33 F34 S68 L69 V70 I74 R75 A76 | T30-L72 HydrophobicContact CG2-CD2 4.19Å; I33-L72 HydrophobicContact CD1-CB 4.39Å; I33-L72 HydrophobicContact CG2-CB 4.37Å; I33-L72 HydrophobicContact CG2-CD2 4.07Å; F34-L72 HydrophobicContact CD1-CD2 4.15Å; F34-L72 HydrophobicContact CE1-CD2 3.51Å; F34-L72 HydrophobicContact CE2-CD2 4.32Å; F34-L72 HydrophobicContact CZ-CD2 3.62Å; S68-L72 WeakPolarHBondContact O-CB 3.29Å; S68-L72 PolarHBondContact O-N 3.1Å; L69-L72 PolarHBondContact O-N 3.27Å; V70-L72 PolarHBondContact O-N 3.33Å; L72-I74 VanDerWaalsContact C-N 3.33Å; L72-I74 PolarHBondContact O-N 2.85Å; L72-R75 PolarHBondContact O-N 3.13Å; L72-A76 WeakPolarHBondContact O-CB 3.48Å; L72-A76 PolarHBondContact O-N 2.84Å |
| 73 | A | 78.2 | Confident | 70.3 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 2% | 0.017 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.8 | -36.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | I33 L58 L69 V70 G77 | I33-A73 HydrophobicContact CD1-CB 4.02Å; L58-A73 HydrophobicContact CD2-CB 4.21Å; L69-A73 WeakPolarHBondContact O-CB 3.36Å; L69-A73 PolarHBondContact O-N 3.06Å; V70-A73 PolarHBondContact O-N 2.88Å; A73-G77 PolarHBondContact O-N 3.12Å |
| 74 | I | 76.3 | Confident | 69.9 | Low | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.9 | -47.1 | 176.5 | -64.3 | 158.2 | 0 | 0 | 0 | 110.5 | L62 V70 E71 L72 A76 G77 A78 V121 V122 E125 | L62-I74 HydrophobicContact CD2-CD1 3.82Å; L62-I74 HydrophobicContact CD2-CG1 3.34Å; V70-I74 HydrophobicContact CG1-CD1 3.53Å; V70-I74 HydrophobicContact CG1-CG1 4.4Å; V70-I74 VanDerWaalsContact O-CD1 3.29Å; V70-I74 WeakPolarHBondContact O-CD1 3.45Å; V70-I74 WeakPolarHBondContact O-CG1 3.4Å; V70-I74 PolarHBondContact O-N 3.39Å; E71-I74 PolarHBondContact O-N 3.38Å; L72-I74 VanDerWaalsContact C-N 3.33Å; L72-I74 PolarHBondContact O-N 2.85Å; I74-A76 VanDerWaalsContact C-N 3.27Å; I74-A76 PolarHBondContact O-N 3.43Å; I74-G77 PolarHBondContact O-N 2.89Å; I74-A78 VanDerWaalsContact O-CB 3.24Å; I74-A78 WeakPolarHBondContact O-CB 3.36Å; I74-A78 PolarHBondContact O-N 3.47Å; I74-V121 HydrophobicContact CD1-CB 4.35Å; I74-V121 HydrophobicContact CD1-CG1 3.8Å; I74-V122 HydrophobicContact CD1-CB 4.18Å; I74-V122 HydrophobicContact CD1-CG2 3.36Å; I74-V122 HydrophobicContact CG1-CG2 3.92Å; I74-E125 HydrophobicContact CG2-CB 3.82Å; I74-E125 HydrophobicContact CG2-CG 4.48Å |
| 75 | R | 75.3 | Confident | 69.4 | Low | 16 Ų | 16 | 32.5 Ų | 32.5 | 6% | 0.06 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 176 | -72 | -177.1 | -171.5 | 141.1 | 18.5 | 110.9 | E71 L72 N79 E125 I129 L272 | E71-R75 WeakPolarHBondContact O-CB 3.4Å; E71-R75 WeakPolarHBondContact O-CG 3.47Å; E71-R75 PolarHBondContact O-N 3.34Å; E71-R75 IonicContact OE2-CZ 3.9Å; E71-R75 IonicContact OE2-NH2 2.85Å; E71-R75 PolarHBondContact OE2-NH2 2.9Å; L72-R75 PolarHBondContact O-N 3.13Å; R75-N79 WeakPolarHBondContact O-CB 3.24Å; R75-N79 PolarHBondContact O-N 3.06Å; R75-N79 PolarHBondContact O-ND2 2.91Å; R75-E125 HydrophobicContact CG-CG 4.49Å; R75-E125 WeakPolarHBondContact CG-OE2 3.42Å; R75-E125 IonicContact CZ-OE1 2.66Å; R75-E125 IonicContact CZ-OE2 3.73Å; R75-E125 IonicContact NE-OE1 3.03Å; R75-E125 IonicContact NE-OE2 3.79Å; R75-E125 PolarHBondContact NE-OE2 3.19Å; R75-E125 IonicContact NH2-OE1 2.83Å; R75-E125 PolarHBondContact NH2-OE1 3.01Å; R75-E125 IonicContact NH2-OE2 3.22Å; R75-I129 HydrophobicContact CB-CD1 4.49Å; R75-I129 HydrophobicContact CG-CD1 4.12Å; R75-L272 HydrophobicContact CB-CD2 3.73Å; R75-L272 VanDerWaalsContact CD-O 3.23Å; R75-L272 WeakPolarHBondContact CD-O 3.47Å; R75-L272 PolarHBondContact NH1-O 3.25Å |
| 76 | A | 73.4 | Confident | 69.2 | Low | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.6 | -54.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I33 V37 L58 L72 I74 A78 N79 L80 L272 | I33-A76 HydrophobicContact CG2-CB 3.75Å; V37-A76 HydrophobicContact CG2-CB 3.49Å; V37-A76 VanDerWaalsContact CG2-CB 3.49Å; L58-A76 HydrophobicContact CD1-CB 3.99Å; L72-A76 WeakPolarHBondContact O-CB 3.48Å; L72-A76 PolarHBondContact O-N 2.84Å; I74-A76 VanDerWaalsContact C-N 3.27Å; I74-A76 PolarHBondContact O-N 3.43Å; A76-A78 PolarHBondContact O-N 3.4Å; A76-N79 PolarHBondContact O-N 3.42Å; A76-L80 VanDerWaalsContact O-CB 3.26Å; A76-L80 WeakPolarHBondContact O-CB 3.48Å; A76-L80 VanDerWaalsContact O-CD1 3.31Å; A76-L80 WeakPolarHBondContact O-CD1 3.4Å; A76-L80 WeakPolarHBondContact O-CG 3.41Å; A76-L80 PolarHBondContact O-N 2.92Å; A76-L272 HydrophobicContact CB-CD2 4.13Å |
| 77 | G | 74 | Confident | 68.7 | Low | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.1 | -42.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | A73 I74 A81 | A73-G77 PolarHBondContact O-N 3.12Å; I74-G77 PolarHBondContact O-N 2.89Å; G77-A81 WeakPolarHBondContact O-CB 3.43Å; G77-A81 PolarHBondContact O-N 3.43Å |
| 78 | A | 69.3 | Low | 68.8 | Low | 2 Ų | 2 | 28.1 Ų | 28.1 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -73.4 | -42.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I74 A76 L80 A81 L82 L126 I129 | I74-A78 VanDerWaalsContact O-CB 3.24Å; I74-A78 WeakPolarHBondContact O-CB 3.36Å; I74-A78 PolarHBondContact O-N 3.47Å; A76-A78 PolarHBondContact O-N 3.4Å; A78-L80 VanDerWaalsContact C-N 3.33Å; A78-L80 PolarHBondContact O-N 2.96Å; A78-A81 PolarHBondContact O-N 2.92Å; A78-L82 WeakPolarHBondContact O-CB 3.3Å; A78-L82 WeakPolarHBondContact O-CG 3.28Å; A78-L82 PolarHBondContact O-N 3.45Å; A78-L126 HydrophobicContact CB-CD2 3.92Å; A78-I129 HydrophobicContact CB-CD1 3.82Å; A78-I129 HydrophobicContact CB-CG2 3.85Å |
| 79 | N | 70.6 | Confident | 68.6 | Low | 45 Ų | 45 | 25.2 Ų | 25.2 | 24% | 0.241 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 173.4 | -75.8 | -25.7 | 0 | 0 | 0 | 111 | R75 A76 A81 L82 S83 | R75-N79 WeakPolarHBondContact O-CB 3.24Å; R75-N79 PolarHBondContact O-N 3.06Å; R75-N79 PolarHBondContact O-ND2 2.91Å; A76-N79 PolarHBondContact O-N 3.42Å; N79-A81 VanDerWaalsContact C-N 3.33Å; N79-A81 PolarHBondContact O-N 3.37Å; N79-L82 PolarHBondContact O-N 3.15Å; N79-S83 WeakPolarHBondContact O-CB 3.27Å; N79-S83 PolarHBondContact O-N 2.73Å; N79-S83 PolarHBondContact O-OG 3.45Å |
| 80 | L | 69 | Low | 68.2 | Low | 8 Ų | 8 | 25.6 Ų | 25.6 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 174.4 | -71.1 | 166 | 0 | 0 | 0 | 111.5 | I36 M40 T55 L58 A76 A78 S83 S84 | I36-L80 HydrophobicContact CG2-CD1 3.74Å; M40-L80 HydrophobicContact CB-CD2 3.62Å; M40-L80 HydrophobicContact CG-CD2 3.43Å; M40-L80 VanDerWaalsContact CG-CD2 3.43Å; M40-L80 HydrophobicContact SD-CD2 3.61Å; T55-L80 HydrophobicContact CG2-CB 4.45Å; L58-L80 HydrophobicContact CD1-CD1 3.69Å; A76-L80 VanDerWaalsContact O-CB 3.26Å; A76-L80 WeakPolarHBondContact O-CB 3.48Å; A76-L80 VanDerWaalsContact O-CD1 3.31Å; A76-L80 WeakPolarHBondContact O-CD1 3.4Å; A76-L80 WeakPolarHBondContact O-CG 3.41Å; A76-L80 PolarHBondContact O-N 2.92Å; A78-L80 VanDerWaalsContact C-N 3.33Å; A78-L80 PolarHBondContact O-N 2.96Å; L80-S83 PolarHBondContact O-N 2.95Å; L80-S84 PolarHBondContact O-N 2.9Å |
| 81 | A | 65.7 | Low | 68 | Low | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.5 | -43.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G77 A78 N79 S83 S84 A89 Y92 | G77-A81 WeakPolarHBondContact O-CB 3.43Å; G77-A81 PolarHBondContact O-N 3.43Å; A78-A81 PolarHBondContact O-N 2.92Å; N79-A81 VanDerWaalsContact C-N 3.33Å; N79-A81 PolarHBondContact O-N 3.37Å; A81-S83 VanDerWaalsContact C-N 3.32Å; A81-S83 PolarHBondContact O-N 3.38Å; A81-S84 PolarHBondContact O-N 3.28Å; A81-S84 PolarHBondContact O-OG 2.95Å; A81-A89 VanDerWaalsContact O-CB 3.25Å; A81-A89 WeakPolarHBondContact O-CB 3.47Å; A81-Y92 HydrophobicContact CB-CD1 3.49Å; A81-Y92 VanDerWaalsContact CB-CD1 3.49Å; A81-Y92 HydrophobicContact CB-CD2 4.39Å; A81-Y92 HydrophobicContact CB-CE1 4.07Å; A81-Y92 HydrophobicContact CB-CG 3.69Å |
| 82 | L | 64.7 | Low | 68.1 | Low | 72 Ų | 72 | 30.6 Ų | 30.6 | 38% | 0.377 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.1 | -27.2 | 177.6 | -74 | 177.7 | 0 | 0 | 0 | 114 | A78 N79 A89 I129 | A78-L82 WeakPolarHBondContact O-CB 3.3Å; A78-L82 WeakPolarHBondContact O-CG 3.28Å; A78-L82 PolarHBondContact O-N 3.45Å; N79-L82 PolarHBondContact O-N 3.15Å; L82-A89 HydrophobicContact CD2-CB 4.26Å; L82-I129 HydrophobicContact CD1-CG2 3.2Å; L82-I129 HydrophobicContact CG-CG2 4.29Å |
| 83 | S | 61.9 | Low | 68.1 | Low | 101 Ų | 101 | 29.6 Ų | 29.6 | 71% | 0.706 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -74.7 | -18.7 | 175.5 | -52.9 | 0 | 0 | 0 | 0 | 112.2 | N79 L80 A81 | N79-S83 WeakPolarHBondContact O-CB 3.27Å; N79-S83 PolarHBondContact O-N 2.73Å; N79-S83 PolarHBondContact O-OG 3.45Å; L80-S83 PolarHBondContact O-N 2.95Å; A81-S83 VanDerWaalsContact C-N 3.32Å; A81-S83 PolarHBondContact O-N 3.38Å |
| 84 | S | 60.6 | Low | 68 | Low | 16 Ų | 16 | 31.5 Ų | 31.5 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -91.1 | 154 | 176.2 | 73.5 | 0 | 0 | 0 | 0 | 111 | L80 A81 G86 | L80-S84 PolarHBondContact O-N 2.9Å; A81-S84 PolarHBondContact O-N 3.28Å; A81-S84 PolarHBondContact O-OG 2.95Å; S84-G86 PolarHBondContact O-N 3.38Å |
| 85 | S | 54.8 | Low | 68.3 | Low | 69 Ų | 69 | 36.3 Ų | 36.3 | 48% | 0.483 | 21% | 0.208 | S | C | . | . | trans | -35.6 | 127.9 | 179 | 62.7 | 0 | 0 | 0 | 0 | 112.7 | T87 Y88 | S85-T87 PolarHBondContact O-N 3.38Å; S85-Y88 PolarHBondContact O-N 3.23Å | ||
| 86 | G | 56.6 | Low | 68.5 | Low | 47 Ų | 47 | 35.7 Ų | 35.7 | 49% | 0.485 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -53 | -20 | -163.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | S84 S90 | S84-G86 PolarHBondContact O-N 3.38Å; G86-S90 PolarHBondContact O-N 2.92Å; G86-S90 VanDerWaalsContact O-N 3.13Å |
| 87 | T | 58.7 | Low | 68.9 | Low | 50 Ų | 50 | 35.7 Ų | 35.7 | 31% | 0.307 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.2 | -44.8 | 175.8 | 45 | 0 | 0 | 0 | 0 | 113.2 | S85 S90 E91 I1180 Q1199 | S85-T87 PolarHBondContact O-N 3.38Å; T87-S90 WeakPolarHBondContact O-CB 3.39Å; T87-S90 PolarHBondContact O-N 2.95Å; T87-E91 PolarHBondContact O-N 3.25Å; T87-I1180 HydrophobicContact CG2-CD1 4.49Å; T87-Q1199 PolarHBondContact OG1-O 3.09Å |
| 88 | Y | 66.2 | Low | 69.3 | Low | 41 Ų | 41 | 40.3 Ų | 40.3 | 16% | 0.161 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.7 | -37.1 | 177 | -176.1 | -100.9 | 0 | 0 | 0 | 111.6 | V51 S52 T55 S85 S90 E91 Y92 | V51-Y88 HydrophobicContact CG1-CD1 4.04Å; V51-Y88 HydrophobicContact CG1-CE1 3.81Å; S52-Y88 WeakPolarHBondContact CA-OH 3.33Å; T55-Y88 HydrophobicContact CG2-CE1 4.44Å; T55-Y88 PolarHBondContact OG1-OH 3.33Å; S85-Y88 PolarHBondContact O-N 3.23Å; Y88-S90 VanDerWaalsContact C-N 3.29Å; Y88-S90 PolarHBondContact O-N 3.44Å; Y88-E91 PolarHBondContact O-N 3.27Å; Y88-Y92 VanDerWaalsContact O-CB 3.28Å; Y88-Y92 WeakPolarHBondContact O-CB 3.44Å; Y88-Y92 PolarHBondContact O-N 3.27Å |
| 89 | A | 65.4 | Low | 70 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.2 | -46.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A81 L82 Y92 V93 | A81-A89 VanDerWaalsContact O-CB 3.25Å; A81-A89 WeakPolarHBondContact O-CB 3.47Å; L82-A89 HydrophobicContact CD2-CB 4.26Å; A89-Y92 PolarHBondContact O-N 3.14Å; A89-V93 WeakPolarHBondContact O-CB 3.49Å; A89-V93 VanDerWaalsContact O-CG2 3.23Å; A89-V93 WeakPolarHBondContact O-CG2 3.3Å; A89-V93 PolarHBondContact O-N 3.19Å |
| 90 | S | 65.8 | Low | 70.6 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.2 | -51.8 | 176.5 | 150.3 | 0 | 0 | 0 | 0 | 112.5 | G86 T87 Y88 Y92 V93 E94 R1177 | G86-S90 PolarHBondContact O-N 2.92Å; G86-S90 VanDerWaalsContact O-N 3.13Å; T87-S90 WeakPolarHBondContact O-CB 3.39Å; T87-S90 PolarHBondContact O-N 2.95Å; Y88-S90 VanDerWaalsContact C-N 3.29Å; Y88-S90 PolarHBondContact O-N 3.44Å; S90-Y92 VanDerWaalsContact C-N 3.35Å; S90-Y92 PolarHBondContact O-N 3.46Å; S90-V93 PolarHBondContact O-N 2.93Å; S90-E94 PolarHBondContact O-N 3.05Å; S90-R1177 PolarHBondContact OG-NH2 3.08Å |
| 91 | E | 70.9 | Confident | 71.2 | Confident | 125 Ų | 125 | 40.4 Ų | 40.4 | 58% | 0.584 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.2 | -40.3 | 179.8 | -72.2 | -171.3 | 167.7 | 0 | 0 | 112.1 | T87 Y88 F95 | T87-E91 PolarHBondContact O-N 3.25Å; Y88-E91 PolarHBondContact O-N 3.27Å; E91-F95 VanDerWaalsContact O-CB 3.24Å; E91-F95 WeakPolarHBondContact O-CB 3.47Å; E91-F95 PolarHBondContact O-N 2.81Å |
| 92 | Y | 77.7 | Confident | 72 | Confident | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.027 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.2 | -51.7 | 177.1 | 176.7 | -91.9 | 0 | 0 | 0 | 111 | T55 A81 Y88 A89 S90 F95 E96 | T55-Y92 HydrophobicContact CG2-CD2 4.1Å; T55-Y92 HydrophobicContact CG2-CE2 3.84Å; A81-Y92 HydrophobicContact CB-CD1 3.49Å; A81-Y92 VanDerWaalsContact CB-CD1 3.49Å; A81-Y92 HydrophobicContact CB-CD2 4.39Å; A81-Y92 HydrophobicContact CB-CE1 4.07Å; A81-Y92 HydrophobicContact CB-CG 3.69Å; Y88-Y92 VanDerWaalsContact O-CB 3.28Å; Y88-Y92 WeakPolarHBondContact O-CB 3.44Å; Y88-Y92 PolarHBondContact O-N 3.27Å; A89-Y92 PolarHBondContact O-N 3.14Å; S90-Y92 VanDerWaalsContact C-N 3.35Å; S90-Y92 PolarHBondContact O-N 3.46Å; Y92-F95 PolarHBondContact O-N 2.65Å; Y92-E96 HydrophobicContact CD1-CG 4.28Å; Y92-E96 HydrophobicContact CE1-CG 3.9Å; Y92-E96 HydrophobicContact CE2-CG 4.09Å; Y92-E96 WeakPolarHBondContact O-CB 3.44Å; Y92-E96 VanDerWaalsContact O-CG 3.28Å; Y92-E96 WeakPolarHBondContact O-CG 3.33Å; Y92-E96 PolarHBondContact O-N 3.35Å |
| 93 | V | 75.2 | Confident | 72.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.9 | -42.9 | -176.8 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | A89 S90 F95 E96 I97 L126 A130 F133 | A89-V93 WeakPolarHBondContact O-CB 3.49Å; A89-V93 VanDerWaalsContact O-CG2 3.23Å; A89-V93 WeakPolarHBondContact O-CG2 3.3Å; A89-V93 PolarHBondContact O-N 3.19Å; S90-V93 PolarHBondContact O-N 2.93Å; V93-F95 VanDerWaalsContact C-N 3.34Å; V93-F95 PolarHBondContact O-N 3.06Å; V93-E96 PolarHBondContact O-N 3.32Å; V93-I97 HydrophobicContact CG1-CD1 3.64Å; V93-I97 HydrophobicContact CG1-CG1 4.29Å; V93-I97 WeakPolarHBondContact O-CB 3.35Å; V93-I97 VanDerWaalsContact O-CG1 3.26Å; V93-I97 WeakPolarHBondContact O-CG1 3.42Å; V93-I97 PolarHBondContact O-N 3.01Å; V93-L126 HydrophobicContact CG1-CD2 4.42Å; V93-L126 HydrophobicContact CG2-CD2 4.27Å; V93-A130 HydrophobicContact CG1-CB 4.05Å; V93-A130 HydrophobicContact CG2-CB 4.02Å; V93-F133 HydrophobicContact CB-CB 4.31Å; V93-F133 HydrophobicContact CG1-CB 3.63Å; V93-F133 HydrophobicContact CG1-CD2 4.45Å; V93-F133 HydrophobicContact CG1-CG 4.31Å |
| 94 | E | 75.8 | Confident | 73.4 | Confident | 43 Ų | 43 | 40 Ų | 40 | 20% | 0.201 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 175.7 | -92.3 | -161.5 | -152.8 | 0 | 0 | 112.4 | S90 K98 R1177 | S90-E94 PolarHBondContact O-N 3.05Å; E94-K98 WeakPolarHBondContact O-CB 3.38Å; E94-K98 WeakPolarHBondContact O-CG 3.27Å; E94-K98 PolarHBondContact O-N 3.1Å; E94-K98 IonicContact OE2-NZ 3.38Å; E94-K98 PolarHBondContact OE2-NZ 3.07Å; E94-R1177 IonicContact OE1-CZ 3.82Å; E94-R1177 IonicContact OE1-NH1 3.75Å; E94-R1177 PolarHBondContact OE1-NH1 3.24Å; E94-R1177 IonicContact OE1-NH2 2.78Å; E94-R1177 PolarHBondContact OE1-NH2 3.25Å |
| 95 | F | 82 | Confident | 74 | Confident | 105 Ų | 105 | 43 Ų | 43 | 46% | 0.461 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.8 | -45.6 | 178.9 | 179.3 | -92.9 | 0 | 0 | 0 | 111.4 | E91 Y92 V93 K98 R99 | E91-F95 VanDerWaalsContact O-CB 3.24Å; E91-F95 WeakPolarHBondContact O-CB 3.47Å; E91-F95 PolarHBondContact O-N 2.81Å; Y92-F95 PolarHBondContact O-N 2.65Å; V93-F95 VanDerWaalsContact C-N 3.34Å; V93-F95 PolarHBondContact O-N 3.06Å; F95-K98 PolarHBondContact O-N 3.21Å; F95-R99 VanDerWaalsContact O-CB 3.32Å; F95-R99 WeakPolarHBondContact O-CB 3.35Å; F95-R99 PolarHBondContact O-N 3.26Å |
| 96 | E | 80.9 | Confident | 74.6 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 179.8 | -71.9 | -59.1 | 150.7 | 0 | 0 | 112.5 | R59 Y92 V93 R99 A100 V122 L126 | R59-E96 WeakPolarHBondContact CD-OE1 3.47Å; R59-E96 VanDerWaalsContact CG-OE1 3.24Å; R59-E96 WeakPolarHBondContact CG-OE1 3.22Å; R59-E96 IonicContact CZ-OE1 3.8Å; R59-E96 IonicContact NE-OE1 2.91Å; R59-E96 PolarHBondContact NE-OE1 3.47Å; R59-E96 IonicContact NH2-OE1 3.97Å; Y92-E96 HydrophobicContact CD1-CG 4.28Å; Y92-E96 HydrophobicContact CE1-CG 3.9Å; Y92-E96 HydrophobicContact CE2-CG 4.09Å; Y92-E96 WeakPolarHBondContact O-CB 3.44Å; Y92-E96 VanDerWaalsContact O-CG 3.28Å; Y92-E96 WeakPolarHBondContact O-CG 3.33Å; Y92-E96 PolarHBondContact O-N 3.35Å; V93-E96 PolarHBondContact O-N 3.32Å; E96-R99 IonicContact OE1-CZ 3.11Å; E96-R99 IonicContact OE1-NH2 3.93Å; E96-R99 PolarHBondContact OE1-NH2 3.41Å; E96-R99 IonicContact OE2-CZ 3.98Å; E96-R99 IonicContact OE2-NE 3.24Å; E96-R99 IonicContact OE2-NH2 3.84Å; E96-R99 PolarHBondContact OE2-NH2 3.37Å; E96-A100 VanDerWaalsContact O-CB 3.26Å; E96-A100 WeakPolarHBondContact O-CB 3.45Å; E96-A100 PolarHBondContact O-N 3.14Å; E96-V122 HydrophobicContact CB-CG1 4.38Å; E96-L126 HydrophobicContact CB-CD1 3.66Å |
| 97 | I | 81.6 | Confident | 74.3 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64 | -49.7 | 176 | -68.2 | 169 | 0 | 0 | 0 | 110.7 | V93 R99 A100 L101 L123 L126 F134 H137 | V93-I97 HydrophobicContact CG1-CD1 3.64Å; V93-I97 HydrophobicContact CG1-CG1 4.29Å; V93-I97 WeakPolarHBondContact O-CB 3.35Å; V93-I97 VanDerWaalsContact O-CG1 3.26Å; V93-I97 WeakPolarHBondContact O-CG1 3.42Å; V93-I97 PolarHBondContact O-N 3.01Å; I97-R99 VanDerWaalsContact C-N 3.32Å; I97-R99 PolarHBondContact O-N 2.92Å; I97-A100 PolarHBondContact O-N 3.35Å; I97-L101 HydrophobicContact CG2-CD1 3.78Å; I97-L101 HydrophobicContact CG2-CG 4.27Å; I97-L101 WeakPolarHBondContact O-CB 3.46Å; I97-L101 VanDerWaalsContact O-CG 3.26Å; I97-L101 WeakPolarHBondContact O-CG 3.23Å; I97-L101 PolarHBondContact O-N 3.44Å; I97-L123 HydrophobicContact CG2-CD2 4.16Å; I97-L126 HydrophobicContact CG1-CD1 3.87Å; I97-F134 HydrophobicContact CD1-CB 4.29Å; I97-F134 HydrophobicContact CD1-CD2 4.15Å; I97-H137 HydrophobicContact CG2-CB 3.69Å |
| 98 | K | 82.4 | Confident | 74 | Confident | 97 Ų | 97 | 51.2 Ų | 51.2 | 42% | 0.422 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 179.2 | -77.7 | 170.3 | -176.9 | 150.6 | 0 | 111.1 | E94 F95 L101 E102 | E94-K98 WeakPolarHBondContact O-CB 3.38Å; E94-K98 WeakPolarHBondContact O-CG 3.27Å; E94-K98 PolarHBondContact O-N 3.1Å; E94-K98 IonicContact OE2-NZ 3.38Å; E94-K98 PolarHBondContact OE2-NZ 3.07Å; F95-K98 PolarHBondContact O-N 3.21Å; K98-L101 PolarHBondContact O-N 3.38Å; K98-E102 WeakPolarHBondContact O-CG 3.3Å; K98-E102 PolarHBondContact O-N 2.85Å |
| 99 | R | 83.3 | Confident | 73.4 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 178.1 | -173.6 | 176.8 | 68.1 | 177.2 | -1.1 | 112.6 | F95 E96 I97 L101 E102 W103 | F95-R99 VanDerWaalsContact O-CB 3.32Å; F95-R99 WeakPolarHBondContact O-CB 3.35Å; F95-R99 PolarHBondContact O-N 3.26Å; E96-R99 IonicContact OE1-CZ 3.11Å; E96-R99 IonicContact OE1-NH2 3.93Å; E96-R99 PolarHBondContact OE1-NH2 3.41Å; E96-R99 IonicContact OE2-CZ 3.98Å; E96-R99 IonicContact OE2-NE 3.24Å; E96-R99 IonicContact OE2-NH2 3.84Å; E96-R99 PolarHBondContact OE2-NH2 3.37Å; I97-R99 VanDerWaalsContact C-N 3.32Å; I97-R99 PolarHBondContact O-N 2.92Å; R99-L101 VanDerWaalsContact C-N 3.35Å; R99-E102 PolarHBondContact O-N 3.41Å; R99-W103 HydrophobicContact CG-CD2 4.37Å; R99-W103 HydrophobicContact CG-CH2 4.49Å; R99-W103 HydrophobicContact CG-CZ2 3.91Å; R99-W103 PolarHBondContact O-N 2.97Å |
| 100 | A | 82.9 | Confident | 72.8 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E96 I97 W103 L104 A119 V122 L123 | E96-A100 VanDerWaalsContact O-CB 3.26Å; E96-A100 WeakPolarHBondContact O-CB 3.45Å; E96-A100 PolarHBondContact O-N 3.14Å; I97-A100 PolarHBondContact O-N 3.35Å; A100-W103 PolarHBondContact O-N 3.4Å; A100-L104 WeakPolarHBondContact O-CG 3.19Å; A100-L104 PolarHBondContact O-N 2.92Å; A100-L104 VanDerWaalsContact O-N 3.13Å; A100-A119 HydrophobicContact CB-CB 4.2Å; A100-V122 HydrophobicContact CB-CB 4.24Å; A100-V122 HydrophobicContact CB-CG1 3.98Å; A100-L123 HydrophobicContact CB-CD1 4.25Å; A100-L123 HydrophobicContact CB-CD2 4.08Å; A100-L123 HydrophobicContact CB-CG 3.89Å |
| 101 | L | 82.3 | Confident | 72.3 | Confident | 15 Ų | 15 | 69.6 Ų | 69.6 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.8 | -41 | 175.3 | -67.2 | 171.8 | 0 | 0 | 0 | 112 | I97 K98 R99 W103 L104 S105 L123 H137 H140 F141 C144 | I97-L101 HydrophobicContact CG2-CD1 3.78Å; I97-L101 HydrophobicContact CG2-CG 4.27Å; I97-L101 WeakPolarHBondContact O-CB 3.46Å; I97-L101 VanDerWaalsContact O-CG 3.26Å; I97-L101 WeakPolarHBondContact O-CG 3.23Å; I97-L101 PolarHBondContact O-N 3.44Å; K98-L101 PolarHBondContact O-N 3.38Å; R99-L101 VanDerWaalsContact C-N 3.35Å; L101-W103 PolarHBondContact O-N 3.22Å; L101-L104 PolarHBondContact O-N 2.92Å; L101-L104 VanDerWaalsContact O-N 3.15Å; L101-S105 PolarHBondContact O-N 2.9Å; L101-S105 VanDerWaalsContact O-N 3.09Å; L101-L123 HydrophobicContact CD2-CD1 4.25Å; L101-L123 HydrophobicContact CD2-CD2 4.4Å; L101-L123 HydrophobicContact CG-CD2 4.47Å; L101-H137 HydrophobicContact CD1-CB 4.47Å; L101-H140 HydrophobicContact CD1-CB 4.07Å; L101-F141 HydrophobicContact CD2-CB 4.28Å; L101-C144 HydrophobicContact CD2-CB 4.45Å |
| 102 | E | 82.1 | Confident | 72.1 | Confident | 117 Ų | 117 | 66.8 Ų | 66.8 | 55% | 0.547 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 173.5 | -75.7 | 171.5 | -172.6 | 0 | 0 | 111.5 | K98 R99 L104 S105 E106 | K98-E102 WeakPolarHBondContact O-CG 3.3Å; K98-E102 PolarHBondContact O-N 2.85Å; R99-E102 PolarHBondContact O-N 3.41Å; E102-L104 PolarHBondContact O-N 2.9Å; E102-S105 WeakPolarHBondContact CA-OG 3.45Å; E102-S105 PolarHBondContact O-N 3.49Å; E102-S105 PolarHBondContact O-OG 3.43Å; E102-E106 PolarHBondContact O-N 3.47Å |
| 103 | W | 80.6 | Confident | 71.7 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 13% | 0.133 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.1 | -27.2 | 176.2 | -71.3 | -8.6 | 0 | 0 | 0 | 113.9 | L62 R99 A100 L101 K115 A119 | L62-W103 HydrophobicContact CB-CH2 4.29Å; L62-W103 HydrophobicContact CB-CZ3 4.49Å; R99-W103 HydrophobicContact CG-CD2 4.37Å; R99-W103 HydrophobicContact CG-CH2 4.49Å; R99-W103 HydrophobicContact CG-CZ2 3.91Å; R99-W103 PolarHBondContact O-N 2.97Å; A100-W103 PolarHBondContact O-N 3.4Å; L101-W103 PolarHBondContact O-N 3.22Å; W103-K115 HydrophobicContact CD2-CB 4.33Å; W103-K115 HydrophobicContact CD2-CD 4.48Å; W103-K115 HydrophobicContact CE3-CB 4.48Å; W103-K115 HydrophobicContact CG-CB 4.36Å; W103-K115 HydrophobicContact CG-CD 4.4Å; W103-A119 HydrophobicContact CB-CB 4.06Å; W103-A119 HydrophobicContact CE3-CB 4.19Å |
| 104 | L | 75.9 | Confident | 71.5 | Confident | 13 Ų | 13 | 72.4 Ų | 72.4 | 7% | 0.068 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -78.8 | -25.2 | 173.5 | -63.2 | 172.9 | 0 | 0 | 0 | 112.5 | A100 L101 E102 A119 L123 C144 V148 | A100-L104 WeakPolarHBondContact O-CG 3.19Å; A100-L104 PolarHBondContact O-N 2.92Å; A100-L104 VanDerWaalsContact O-N 3.13Å; L101-L104 PolarHBondContact O-N 2.92Å; L101-L104 VanDerWaalsContact O-N 3.15Å; E102-L104 PolarHBondContact O-N 2.9Å; L104-A119 HydrophobicContact CD2-CB 3.81Å; L104-A119 HydrophobicContact CG-CB 3.94Å; L104-L123 HydrophobicContact CD1-CD1 3.4Å; L104-C144 HydrophobicContact CB-CB 4.05Å; L104-C144 HydrophobicContact CD1-CB 4.34Å; L104-V148 HydrophobicContact CB-CG2 4.19Å; L104-V148 HydrophobicContact CD2-CB 4.27Å; L104-V148 HydrophobicContact CD2-CG1 4.19Å; L104-V148 HydrophobicContact CD2-CG2 3.47Å; L104-V148 VanDerWaalsContact CD2-CG2 3.47Å; L104-V148 HydrophobicContact CG-CG2 4.32Å |
| 105 | S | 72.3 | Confident | 71.5 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -90.1 | -11.7 | -175 | 72.5 | 0 | 0 | 0 | 0 | 115.7 | L101 E102 A107 | L101-S105 PolarHBondContact O-N 2.9Å; L101-S105 VanDerWaalsContact O-N 3.09Å; E102-S105 WeakPolarHBondContact CA-OG 3.45Å; E102-S105 PolarHBondContact O-N 3.49Å; E102-S105 PolarHBondContact O-OG 3.43Å; S105-A107 PolarHBondContact O-N 2.87Å |
| 106 | E | 67 | Low | 71.1 | Confident | 100 Ų | 100 | 69 Ų | 69 | 47% | 0.467 | 36% | 0.359 | S | S | . | . | trans | -64.6 | 122 | -178.1 | -79.2 | -176.2 | 174 | 0 | 0 | 112.7 | E102 N108 | E102-E106 PolarHBondContact O-N 3.47Å; E106-N108 VanDerWaalsContact C-N 3.31Å; E106-N108 PolarHBondContact O-N 3.37Å; E106-N108 VanDerWaalsContact O-N 3.16Å | ||
| 107 | A | 50.5 | Low | 70.9 | Confident | 92 Ų | 92 | 70.1 Ų | 70.1 | 76% | 0.76 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -70.5 | -6.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | S105 L109 | S105-A107 PolarHBondContact O-N 2.87Å; A107-L109 PolarHBondContact O-N 3.16Å |
| 108 | N | 54.1 | Low | 70.7 | Confident | 147 Ų | 147 | 70.1 Ų | 70.1 | 79% | 0.786 | 36% | 0.364 | S | S | * | . | trans | -97 | 84.1 | 179.8 | -82.7 | -27.8 | 0 | 0 | 0 | 111.1 | E106 D110 | E106-N108 VanDerWaalsContact C-N 3.31Å; E106-N108 PolarHBondContact O-N 3.37Å; E106-N108 VanDerWaalsContact O-N 3.16Å; N108-D110 VanDerWaalsContact C-N 3.28Å; N108-D110 PolarHBondContact O-N 3.35Å; N108-D110 VanDerWaalsContact O-N 3.17Å | ||
| 109 | L | 53.5 | Low | 70.7 | Confident | 103 Ų | 103 | 65.5 Ų | 65.5 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.6 | -170.4 | -75.7 | 150.5 | 0 | 0 | 0 | 115.4 | A107 R116 | A107-L109 PolarHBondContact O-N 3.16Å; L109-R116 PolarHBondContact O-NH2 3.08Å |
| 110 | D | 52.6 | Low | 70.6 | Confident | 152 Ų | 152 | 63.5 Ų | 63.5 | 81% | 0.813 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -5.2 | -163.9 | -70.5 | -22.8 | 0 | 0 | 0 | 116.8 | N108 | N108-D110 VanDerWaalsContact C-N 3.28Å; N108-D110 PolarHBondContact O-N 3.35Å; N108-D110 VanDerWaalsContact O-N 3.17Å |
| 111 | K | 54.9 | Low | 70.4 | Confident | 186 Ų | 186 | 63.5 Ų | 63.5 | 81% | 0.809 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -118.9 | -9.7 | -170.5 | -77.3 | -170.8 | 177 | -179.1 | 0 | 118.4 | ||
| 112 | N | 67.1 | Low | 70.4 | Confident | 67 Ų | 67 | 62.9 Ų | 62.9 | 36% | 0.358 | 33% | 0.333 | S | S | . | . | trans | -129.2 | 48.6 | -174 | -77.7 | -22.5 | 0 | 0 | 0 | 113.5 | A114 K115 R116 | N112-A114 VanDerWaalsContact C-N 3.27Å; N112-A114 PolarHBondContact O-N 3.04Å; N112-K115 HydrophobicContact CB-CB 4.27Å; N112-K115 HydrophobicContact CB-CD 4.16Å; N112-K115 HydrophobicContact CB-CG 4.29Å; N112-K115 PolarHBondContact O-N 3.47Å; N112-K115 VanDerWaalsContact O-N 3.09Å; N112-R116 PolarHBondContact O-N 2.94Å | ||
| 113 | E | 68.6 | Low | 70.5 | Confident | 90 Ų | 90 | 57.3 Ų | 57.3 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -53.3 | -42 | -180 | -59.1 | -178.3 | 145.2 | 0 | 0 | 112.9 | K115 R116 F117 K153 | E113-K115 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 3.35Å; E113-R116 PolarHBondContact O-N 3.41Å; E113-F117 VanDerWaalsContact O-CB 3.28Å; E113-F117 WeakPolarHBondContact O-CB 3.33Å; E113-F117 PolarHBondContact O-N 3.2Å; E113-K153 WeakPolarHBondContact OE1-CE 3.48Å; E113-K153 IonicContact OE1-NZ 2.96Å; E113-K153 PolarHBondContact OE1-NZ 3.32Å; E113-K153 VanDerWaalsContact OE1-NZ 3.14Å; E113-K153 IonicContact OE2-NZ 3.68Å; E113-K153 PolarHBondContact OE2-NZ 2.84Å |
| 114 | A | 70.5 | Confident | 70.7 | Confident | 35 Ų | 35 | 57 Ų | 57 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.7 | -34.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | N112 S118 | N112-A114 VanDerWaalsContact C-N 3.27Å; N112-A114 PolarHBondContact O-N 3.04Å; A114-S118 VanDerWaalsContact O-CB 3.26Å; A114-S118 WeakPolarHBondContact O-CB 3.07Å; A114-S118 PolarHBondContact O-N 3.23Å; A114-S118 PolarHBondContact O-OG 3.08Å |
| 115 | K | 75.8 | Confident | 70.9 | Confident | 58 Ų | 58 | 56.4 Ų | 56.4 | 25% | 0.252 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72.3 | -42.5 | 178.6 | -68.3 | -171.5 | -177.5 | 176.4 | 0 | 112.1 | W103 N112 E113 S118 A119 | W103-K115 HydrophobicContact CD2-CB 4.33Å; W103-K115 HydrophobicContact CD2-CD 4.48Å; W103-K115 HydrophobicContact CE3-CB 4.48Å; W103-K115 HydrophobicContact CG-CB 4.36Å; W103-K115 HydrophobicContact CG-CD 4.4Å; N112-K115 HydrophobicContact CB-CB 4.27Å; N112-K115 HydrophobicContact CB-CD 4.16Å; N112-K115 HydrophobicContact CB-CG 4.29Å; N112-K115 PolarHBondContact O-N 3.47Å; N112-K115 VanDerWaalsContact O-N 3.09Å; E113-K115 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 3.35Å; K115-S118 PolarHBondContact O-N 3.38Å; K115-A119 VanDerWaalsContact O-CB 3.28Å; K115-A119 WeakPolarHBondContact O-CB 3.39Å; K115-A119 PolarHBondContact O-N 3.31Å |
| 116 | R | 75.2 | Confident | 71.3 | Confident | 19 Ų | 19 | 52.8 Ų | 52.8 | 7% | 0.072 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 178.7 | -66.2 | -166.8 | -73.7 | 134.6 | 1.3 | 111.1 | L109 N112 E113 A119 A120 D151 | L109-R116 PolarHBondContact O-NH2 3.08Å; N112-R116 PolarHBondContact O-N 2.94Å; E113-R116 PolarHBondContact O-N 3.41Å; R116-A119 PolarHBondContact O-N 3.12Å; R116-A120 PolarHBondContact O-N 3.34Å; R116-A120 VanDerWaalsContact O-N 3.1Å; R116-D151 IonicContact CZ-OD2 3.72Å; R116-D151 IonicContact NH1-OD2 2.79Å; R116-D151 PolarHBondContact NH1-OD2 3.48Å; R116-D151 IonicContact NH2-OD2 3.3Å; R116-D151 PolarHBondContact NH2-OD2 3.15Å |
| 117 | F | 75.7 | Confident | 71.9 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 11% | 0.114 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 172.8 | -167.8 | -99.9 | 0 | 0 | 0 | 111.4 | L67 E113 A120 V121 I156 R159 | L67-F117 HydrophobicContact CB-CE1 3.78Å; L67-F117 HydrophobicContact CB-CZ 4.03Å; L67-F117 HydrophobicContact CD1-CE1 3.47Å; L67-F117 VanDerWaalsContact CD1-CE1 3.47Å; L67-F117 HydrophobicContact CD1-CZ 3.61Å; L67-F117 HydrophobicContact CD2-CZ 4.16Å; L67-F117 HydrophobicContact CG-CE1 4.12Å; L67-F117 HydrophobicContact CG-CZ 4.13Å; E113-F117 VanDerWaalsContact O-CB 3.28Å; E113-F117 WeakPolarHBondContact O-CB 3.33Å; E113-F117 PolarHBondContact O-N 3.2Å; F117-A120 PolarHBondContact O-N 3.07Å; F117-V121 WeakPolarHBondContact O-CG2 3.31Å; F117-V121 PolarHBondContact O-N 3.3Å; F117-I156 HydrophobicContact CB-CG1 4.27Å; F117-I156 HydrophobicContact CD2-CG1 3.74Å; F117-R159 HydrophobicContact CE2-CG 4.01Å; F117-R159 HydrophobicContact CZ-CG 4.22Å |
| 118 | S | 77.1 | Confident | 73.1 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.7 | -38.6 | 178.4 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | L62 A114 K115 A120 V121 V122 | L62-S118 VanDerWaalsContact O-CB 3.27Å; L62-S118 WeakPolarHBondContact O-CB 3.43Å; L62-S118 PolarHBondContact O-OG 2.88Å; A114-S118 VanDerWaalsContact O-CB 3.26Å; A114-S118 WeakPolarHBondContact O-CB 3.07Å; A114-S118 PolarHBondContact O-N 3.23Å; A114-S118 PolarHBondContact O-OG 3.08Å; K115-S118 PolarHBondContact O-N 3.38Å; S118-A120 PolarHBondContact O-N 3.24Å; S118-V121 PolarHBondContact O-N 3.18Å; S118-V122 VanDerWaalsContact O-CG2 3.29Å; S118-V122 WeakPolarHBondContact O-CG2 3.49Å; S118-V122 PolarHBondContact O-N 3.44Å |
| 119 | A | 82.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | A100 W103 L104 K115 R116 V121 V122 L123 | A100-A119 HydrophobicContact CB-CB 4.2Å; W103-A119 HydrophobicContact CB-CB 4.06Å; W103-A119 HydrophobicContact CE3-CB 4.19Å; L104-A119 HydrophobicContact CD2-CB 3.81Å; L104-A119 HydrophobicContact CG-CB 3.94Å; K115-A119 VanDerWaalsContact O-CB 3.28Å; K115-A119 WeakPolarHBondContact O-CB 3.39Å; K115-A119 PolarHBondContact O-N 3.31Å; R116-A119 PolarHBondContact O-N 3.12Å; A119-V121 VanDerWaalsContact C-N 3.32Å; A119-V121 PolarHBondContact O-N 3.3Å; A119-V122 PolarHBondContact O-N 2.99Å; A119-L123 WeakPolarHBondContact O-CG 3.41Å; A119-L123 PolarHBondContact O-N 3.42Å |
| 120 | A | 80.8 | Confident | 75 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.1 | -40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R116 F117 S118 K124 R159 | R116-A120 PolarHBondContact O-N 3.34Å; R116-A120 VanDerWaalsContact O-N 3.1Å; F117-A120 PolarHBondContact O-N 3.07Å; S118-A120 PolarHBondContact O-N 3.24Å; A120-K124 WeakPolarHBondContact O-CB 3.36Å; A120-K124 PolarHBondContact O-N 2.8Å; A120-R159 HydrophobicContact CB-CB 4.2Å |
| 121 | V | 79.4 | Confident | 76 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.4 | -43.1 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | L67 V70 E71 I74 F117 S118 A119 L123 K124 E125 R159 | L67-V121 HydrophobicContact CD1-CG2 3.7Å; V70-V121 HydrophobicContact CG1-CG1 4.34Å; E71-V121 HydrophobicContact CB-CG1 4.38Å; E71-V121 HydrophobicContact CG-CG1 3.4Å; E71-V121 VanDerWaalsContact CG-CG1 3.4Å; I74-V121 HydrophobicContact CD1-CB 4.35Å; I74-V121 HydrophobicContact CD1-CG1 3.8Å; F117-V121 WeakPolarHBondContact O-CG2 3.31Å; F117-V121 PolarHBondContact O-N 3.3Å; S118-V121 PolarHBondContact O-N 3.18Å; A119-V121 VanDerWaalsContact C-N 3.32Å; A119-V121 PolarHBondContact O-N 3.3Å; V121-L123 VanDerWaalsContact C-N 3.34Å; V121-L123 PolarHBondContact O-N 3.36Å; V121-K124 PolarHBondContact O-N 3.27Å; V121-E125 HydrophobicContact CG1-CG 4.2Å; V121-E125 WeakPolarHBondContact O-CG 3.36Å; V121-E125 PolarHBondContact O-N 2.9Å; V121-R159 HydrophobicContact CG2-CB 4.46Å; V121-R159 HydrophobicContact CG2-CG 4.25Å |
| 122 | V | 82.8 | Confident | 76.7 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.012 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.7 | -49.6 | 175.5 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | L62 I74 E96 A100 S118 A119 K124 E125 L126 | L62-V122 HydrophobicContact CD2-CG2 4.38Å; I74-V122 HydrophobicContact CD1-CB 4.18Å; I74-V122 HydrophobicContact CD1-CG2 3.36Å; I74-V122 HydrophobicContact CG1-CG2 3.92Å; E96-V122 HydrophobicContact CB-CG1 4.38Å; A100-V122 HydrophobicContact CB-CB 4.24Å; A100-V122 HydrophobicContact CB-CG1 3.98Å; S118-V122 VanDerWaalsContact O-CG2 3.29Å; S118-V122 WeakPolarHBondContact O-CG2 3.49Å; S118-V122 PolarHBondContact O-N 3.44Å; A119-V122 PolarHBondContact O-N 2.99Å; V122-K124 PolarHBondContact O-N 2.75Å; V122-E125 PolarHBondContact O-N 3.18Å; V122-L126 HydrophobicContact CG1-CD1 3.58Å; V122-L126 HydrophobicContact CG1-CG 4.23Å; V122-L126 VanDerWaalsContact O-CB 3.27Å; V122-L126 WeakPolarHBondContact O-CB 3.16Å; V122-L126 VanDerWaalsContact O-CG 3.27Å; V122-L126 WeakPolarHBondContact O-CG 3.43Å; V122-L126 PolarHBondContact O-N 3.05Å |
| 123 | L | 84.9 | Confident | 77 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.6 | -38.7 | -178.8 | -68 | 164.4 | 0 | 0 | 0 | 112.2 | I97 A100 L101 L104 A119 V121 A127 F134 F141 A163 | I97-L123 HydrophobicContact CG2-CD2 4.16Å; A100-L123 HydrophobicContact CB-CD1 4.25Å; A100-L123 HydrophobicContact CB-CD2 4.08Å; A100-L123 HydrophobicContact CB-CG 3.89Å; L101-L123 HydrophobicContact CD2-CD1 4.25Å; L101-L123 HydrophobicContact CD2-CD2 4.4Å; L101-L123 HydrophobicContact CG-CD2 4.47Å; L104-L123 HydrophobicContact CD1-CD1 3.4Å; A119-L123 WeakPolarHBondContact O-CG 3.41Å; A119-L123 PolarHBondContact O-N 3.42Å; V121-L123 VanDerWaalsContact C-N 3.34Å; V121-L123 PolarHBondContact O-N 3.36Å; L123-A127 WeakPolarHBondContact O-CB 3.37Å; L123-A127 PolarHBondContact O-N 2.81Å; L123-F134 HydrophobicContact CB-CE2 4.17Å; L123-F134 HydrophobicContact CD2-CE2 3.86Å; L123-F141 HydrophobicContact CB-CD2 4.48Å; L123-F141 HydrophobicContact CB-CE2 4.17Å; L123-F141 HydrophobicContact CD1-CD2 4.01Å; L123-F141 HydrophobicContact CD1-CE2 4.1Å; L123-F141 HydrophobicContact CD2-CD2 4.41Å; L123-A163 HydrophobicContact CB-CB 4.45Å |
| 124 | K | 84.2 | Confident | 77.4 | Confident | 28 Ų | 28 | 15.9 Ų | 15.9 | 12% | 0.122 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.5 | -56.4 | 173.7 | 172.1 | -159.7 | 162.1 | -179.8 | 0 | 111.3 | E71 A120 V121 V122 A127 C128 E162 A163 | E71-K124 IonicContact OE1-NZ 3.56Å; E71-K124 PolarHBondContact OE1-NZ 3.19Å; A120-K124 WeakPolarHBondContact O-CB 3.36Å; A120-K124 PolarHBondContact O-N 2.8Å; V121-K124 PolarHBondContact O-N 3.27Å; V122-K124 PolarHBondContact O-N 2.75Å; K124-A127 PolarHBondContact O-N 2.87Å; K124-C128 PolarHBondContact O-N 3.45Å; K124-C128 PolarHBondContact O-SG 3.1Å; K124-E162 HydrophobicContact CD-CB 3.92Å; K124-E162 WeakPolarHBondContact CE-OE2 3.48Å; K124-E162 HydrophobicContact CG-CB 4.27Å; K124-E162 IonicContact NZ-OE2 3.54Å; K124-E162 PolarHBondContact NZ-OE2 3.25Å; K124-A163 HydrophobicContact CB-CB 4Å |
| 125 | E | 79.5 | Confident | 77.7 | Confident | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.009 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.3 | -40.8 | -173.9 | -65.1 | -62.6 | 150.5 | 0 | 0 | 110.8 | I74 R75 V121 V122 A127 C128 I129 | I74-E125 HydrophobicContact CG2-CB 3.82Å; I74-E125 HydrophobicContact CG2-CG 4.48Å; R75-E125 HydrophobicContact CG-CG 4.49Å; R75-E125 WeakPolarHBondContact CG-OE2 3.42Å; R75-E125 IonicContact CZ-OE1 2.66Å; R75-E125 IonicContact CZ-OE2 3.73Å; R75-E125 IonicContact NE-OE1 3.03Å; R75-E125 IonicContact NE-OE2 3.79Å; R75-E125 PolarHBondContact NE-OE2 3.19Å; R75-E125 IonicContact NH2-OE1 2.83Å; R75-E125 PolarHBondContact NH2-OE1 3.01Å; R75-E125 IonicContact NH2-OE2 3.22Å; V121-E125 HydrophobicContact CG1-CG 4.2Å; V121-E125 WeakPolarHBondContact O-CG 3.36Å; V121-E125 PolarHBondContact O-N 2.9Å; V122-E125 PolarHBondContact O-N 3.18Å; E125-A127 PolarHBondContact O-N 2.9Å; E125-C128 PolarHBondContact O-N 3.48Å; E125-C128 VanDerWaalsContact O-N 3.13Å; E125-I129 HydrophobicContact CB-CD1 4.23Å; E125-I129 VanDerWaalsContact O-CB 3.32Å; E125-I129 WeakPolarHBondContact O-CB 3.31Å; E125-I129 WeakPolarHBondContact O-CG1 3.38Å; E125-I129 PolarHBondContact O-N 3.16Å |
| 126 | L | 80.5 | Confident | 77.7 | Confident | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.3 | -33.7 | 175.3 | -69.9 | 179.1 | 0 | 0 | 0 | 113.1 | A78 V93 E96 I97 V122 C128 A130 | A78-L126 HydrophobicContact CB-CD2 3.92Å; V93-L126 HydrophobicContact CG1-CD2 4.42Å; V93-L126 HydrophobicContact CG2-CD2 4.27Å; E96-L126 HydrophobicContact CB-CD1 3.66Å; I97-L126 HydrophobicContact CG1-CD1 3.87Å; V122-L126 HydrophobicContact CG1-CD1 3.58Å; V122-L126 HydrophobicContact CG1-CG 4.23Å; V122-L126 VanDerWaalsContact O-CB 3.27Å; V122-L126 WeakPolarHBondContact O-CB 3.16Å; V122-L126 VanDerWaalsContact O-CG 3.27Å; V122-L126 WeakPolarHBondContact O-CG 3.43Å; V122-L126 PolarHBondContact O-N 3.05Å; L126-C128 VanDerWaalsContact C-N 3.25Å; L126-C128 PolarHBondContact O-N 3.02Å; L126-A130 CarbonylContact O-C 3.55Å; L126-A130 VanDerWaalsContact O-C 3.28Å; L126-A130 WeakPolarHBondContact O-CA 3.27Å; L126-A130 PolarHBondContact O-N 3.12Å |
| 127 | A | 79.4 | Confident | 77.9 | Confident | 2 Ų | 2 | 13.8 Ų | 13.8 | 2% | 0.017 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.9 | -30.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L123 K124 E125 F134 A166 V170 | L123-A127 WeakPolarHBondContact O-CB 3.37Å; L123-A127 PolarHBondContact O-N 2.81Å; K124-A127 PolarHBondContact O-N 2.87Å; E125-A127 PolarHBondContact O-N 2.9Å; A127-F134 HydrophobicContact CB-CB 4.5Å; A127-F134 HydrophobicContact CB-CD1 3.77Å; A127-F134 HydrophobicContact CB-CD2 3.89Å; A127-F134 HydrophobicContact CB-CE1 3.89Å; A127-F134 HydrophobicContact CB-CE2 3.98Å; A127-F134 HydrophobicContact CB-CG 3.78Å; A127-F134 HydrophobicContact CB-CZ 3.99Å; A127-A166 HydrophobicContact CB-CB 3.68Å; A127-V170 WeakPolarHBondContact O-CG2 3.45Å |
| 128 | C | 76.4 | Confident | 78.1 | Confident | 43 Ų | 43 | 12.5 Ų | 12.5 | 29% | 0.291 | 7% | 0.068 | S | C | . | . | H | α-helix | trans | -82.3 | -43.4 | 177.4 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | K124 E125 L126 V278 | K124-C128 PolarHBondContact O-N 3.45Å; K124-C128 PolarHBondContact O-SG 3.1Å; E125-C128 PolarHBondContact O-N 3.48Å; E125-C128 VanDerWaalsContact O-N 3.13Å; L126-C128 VanDerWaalsContact C-N 3.25Å; L126-C128 PolarHBondContact O-N 3.02Å; C128-V278 VanDerWaalsContact SG-CG2 3.51Å |
| 129 | I | 74.4 | Confident | 78.1 | Confident | 37 Ų | 37 | 15.1 Ų | 15.1 | 19% | 0.19 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -79.8 | -38.8 | -174 | -65.5 | 168.1 | 0 | 0 | 0 | 111.1 | R75 A78 L82 E125 | R75-I129 HydrophobicContact CB-CD1 4.49Å; R75-I129 HydrophobicContact CG-CD1 4.12Å; A78-I129 HydrophobicContact CB-CD1 3.82Å; A78-I129 HydrophobicContact CB-CG2 3.85Å; L82-I129 HydrophobicContact CD1-CG2 3.2Å; L82-I129 HydrophobicContact CG-CG2 4.29Å; E125-I129 HydrophobicContact CB-CD1 4.23Å; E125-I129 VanDerWaalsContact O-CB 3.32Å; E125-I129 WeakPolarHBondContact O-CB 3.31Å; E125-I129 WeakPolarHBondContact O-CG1 3.38Å; E125-I129 PolarHBondContact O-N 3.16Å |
| 130 | A | 72.9 | Confident | 77.9 | Confident | 5 Ų | 5 | 20.3 Ų | 20.3 | 4% | 0.041 | 11% | 0.109 | C | C | . | . | trans | -133.1 | 60.8 | -173 | 0 | 0 | 0 | 0 | 0 | 112.4 | V93 L126 T132 F133 F134 | V93-A130 HydrophobicContact CG1-CB 4.05Å; V93-A130 HydrophobicContact CG2-CB 4.02Å; L126-A130 CarbonylContact O-C 3.55Å; L126-A130 VanDerWaalsContact O-C 3.28Å; L126-A130 WeakPolarHBondContact O-CA 3.27Å; L126-A130 PolarHBondContact O-N 3.12Å; A130-T132 VanDerWaalsContact C-N 3.26Å; A130-T132 PolarHBondContact O-N 3Å; A130-F133 HydrophobicContact CB-CD2 4.22Å; A130-F133 PolarHBondContact O-N 3.21Å; A130-F134 PolarHBondContact O-N 3.14Å | ||
| 131 | P | 73.7 | Confident | 78.1 | Confident | 36 Ų | 36 | 20.4 Ų | 20.4 | 23% | 0.234 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.7 | -30.4 | -171.7 | 25.1 | -36.1 | 0 | 0 | 0 | 113.7 | F135 V170 | P131-F135 WeakPolarHBondContact O-CB 3.15Å; P131-F135 PolarHBondContact O-N 2.95Å; P131-F135 VanDerWaalsContact O-N 3.08Å; P131-V170 HydrophobicContact CB-CG1 4.09Å; P131-V170 HydrophobicContact CB-CG2 3.67Å |
| 132 | T | 69.9 | Low | 78.3 | Confident | 14 Ų | 14 | 20.5 Ų | 20.5 | 9% | 0.086 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64 | -50.1 | 178.9 | -59.7 | 0 | 0 | 0 | 0 | 112.9 | A130 R174 E1169 D1170 | A130-T132 VanDerWaalsContact C-N 3.26Å; A130-T132 PolarHBondContact O-N 3Å; T132-R174 PolarHBondContact OG1-NH2 2.85Å; T132-R174 VanDerWaalsContact OG1-NH2 3.14Å; T132-E1169 PolarHBondContact OG1-OE2 3.03Å; T132-D1170 HydrophobicContact CG2-CB 4.46Å; T132-D1170 WeakPolarHBondContact CG2-OD1 3.35Å |
| 133 | F | 72.5 | Confident | 78.2 | Confident | 24 Ų | 24 | 25.7 Ų | 25.7 | 11% | 0.105 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -71.6 | -36 | 178.7 | -60 | -70.5 | 0 | 0 | 0 | 111.9 | V93 A130 F135 Q136 E1173 | V93-F133 HydrophobicContact CB-CB 4.31Å; V93-F133 HydrophobicContact CG1-CB 3.63Å; V93-F133 HydrophobicContact CG1-CD2 4.45Å; V93-F133 HydrophobicContact CG1-CG 4.31Å; A130-F133 HydrophobicContact CB-CD2 4.22Å; A130-F133 PolarHBondContact O-N 3.21Å; F133-F135 PolarHBondContact O-N 3.48Å; F133-Q136 PolarHBondContact O-N 3.26Å; F133-E1173 HydrophobicContact CE1-CG 4.2Å |
| 134 | F | 78.3 | Confident | 78 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 177.1 | -175.5 | -92 | 0 | 0 | 0 | 112.6 | I97 L123 A127 A130 Q136 H137 M138 F141 A167 | I97-F134 HydrophobicContact CD1-CB 4.29Å; I97-F134 HydrophobicContact CD1-CD2 4.15Å; L123-F134 HydrophobicContact CB-CE2 4.17Å; L123-F134 HydrophobicContact CD2-CE2 3.86Å; A127-F134 HydrophobicContact CB-CB 4.5Å; A127-F134 HydrophobicContact CB-CD1 3.77Å; A127-F134 HydrophobicContact CB-CD2 3.89Å; A127-F134 HydrophobicContact CB-CE1 3.89Å; A127-F134 HydrophobicContact CB-CE2 3.98Å; A127-F134 HydrophobicContact CB-CG 3.78Å; A127-F134 HydrophobicContact CB-CZ 3.99Å; A130-F134 PolarHBondContact O-N 3.14Å; F134-Q136 PolarHBondContact O-N 3.3Å; F134-Q136 VanDerWaalsContact O-N 3.17Å; F134-H137 PolarHBondContact O-N 3.04Å; F134-M138 HydrophobicContact CE1-CE 4.44Å; F134-M138 PolarHBondContact O-N 3.26Å; F134-F141 HydrophobicContact CE2-CD2 4.15Å; F134-F141 HydrophobicContact CZ-CB 4.42Å; F134-F141 HydrophobicContact CZ-CD1 4.22Å; F134-F141 AromaticContact CZ-CD2 3.68Å; F134-F141 HydrophobicContact CZ-CD2 3.68Å; F134-F141 HydrophobicContact CZ-CE1 4.45Å; F134-F141 AromaticContact CZ-CE2 3.93Å; F134-F141 HydrophobicContact CZ-CE2 3.93Å; F134-F141 AromaticContact CZ-CG 3.83Å; F134-F141 HydrophobicContact CZ-CG 3.83Å; F134-F141 HydrophobicContact CZ-CZ 4.31Å; F134-A167 HydrophobicContact CE1-CB 3.64Å; F134-A167 HydrophobicContact CZ-CB 4.04Å |
| 135 | F | 76.7 | Confident | 78 | Confident | 14 Ų | 14 | 25.6 Ų | 25.6 | 6% | 0.061 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.1 | -32.1 | -179.5 | -170.2 | -104.7 | 0 | 0 | 0 | 113.1 | P131 F133 H137 M138 V170 R174 W184 | P131-F135 WeakPolarHBondContact O-CB 3.15Å; P131-F135 PolarHBondContact O-N 2.95Å; P131-F135 VanDerWaalsContact O-N 3.08Å; F133-F135 PolarHBondContact O-N 3.48Å; F135-H137 PolarHBondContact O-N 3.43Å; F135-M138 HydrophobicContact CD2-CE 3.44Å; F135-M138 VanDerWaalsContact CD2-CE 3.44Å; F135-M138 HydrophobicContact CD2-SD 3.79Å; F135-M138 HydrophobicContact CE2-CE 3.93Å; F135-M138 HydrophobicContact CE2-SD 3.75Å; F135-M138 HydrophobicContact CG-CE 4.49Å; F135-M138 VanDerWaalsContact O-CB 3.27Å; F135-M138 WeakPolarHBondContact O-CB 3.16Å; F135-M138 PolarHBondContact O-N 2.88Å; F135-V170 HydrophobicContact CB-CG1 4.2Å; F135-V170 HydrophobicContact CD2-CG1 4.04Å; F135-R174 HydrophobicContact CE2-CB 4.14Å; F135-R174 HydrophobicContact CZ-CB 4.15Å; F135-W184 AromaticContact CE2-CH2 3.89Å; F135-W184 HydrophobicContact CE2-CH2 3.89Å; F135-W184 AromaticContact CE2-CZ3 3.9Å; F135-W184 HydrophobicContact CE2-CZ3 3.9Å; F135-W184 AromaticContact CZ-CH2 3.88Å; F135-W184 HydrophobicContact CZ-CH2 3.88Å; F135-W184 HydrophobicContact CZ-CZ3 4.17Å |
| 136 | Q | 74.9 | Confident | 78.1 | Confident | 34 Ų | 34 | 26.2 Ų | 26.2 | 16% | 0.159 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.3 | -24.5 | 178.6 | -61.9 | -174.4 | 1.9 | 0 | 0 | 113.3 | F133 F134 R1164 | F133-Q136 PolarHBondContact O-N 3.26Å; F134-Q136 PolarHBondContact O-N 3.3Å; F134-Q136 VanDerWaalsContact O-N 3.17Å; Q136-R1164 PolarHBondContact O-NH1 3.47Å |
| 137 | H | 79.4 | Confident | 78 | Confident | 19 Ų | 19 | 31.6 Ų | 31.6 | 9% | 0.088 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 4.5 | -179.6 | -69.6 | -76.4 | 0 | 0 | 0 | 113.7 | I97 L101 F134 F135 P139 H140 F141 | I97-H137 HydrophobicContact CG2-CB 3.69Å; L101-H137 HydrophobicContact CD1-CB 4.47Å; F134-H137 PolarHBondContact O-N 3.04Å; F135-H137 PolarHBondContact O-N 3.43Å; H137-P139 VanDerWaalsContact C-CD 3.43Å; H137-H140 PolarHBondContact O-N 3.18Å; H137-F141 PolarHBondContact O-N 3.27Å |
| 138 | M | 79.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.3 | -36.9 | -174.5 | -168 | 175 | -84.1 | 0 | 0 | 115.1 | F134 F135 F141 F142 A167 V170 A171 W184 | F134-M138 HydrophobicContact CE1-CE 4.44Å; F134-M138 PolarHBondContact O-N 3.26Å; F135-M138 HydrophobicContact CD2-CE 3.44Å; F135-M138 VanDerWaalsContact CD2-CE 3.44Å; F135-M138 HydrophobicContact CD2-SD 3.79Å; F135-M138 HydrophobicContact CE2-CE 3.93Å; F135-M138 HydrophobicContact CE2-SD 3.75Å; F135-M138 HydrophobicContact CG-CE 4.49Å; F135-M138 VanDerWaalsContact O-CB 3.27Å; F135-M138 WeakPolarHBondContact O-CB 3.16Å; F135-M138 PolarHBondContact O-N 2.88Å; M138-F141 WeakPolarHBondContact O-CB 3.26Å; M138-F141 PolarHBondContact O-N 3.31Å; M138-F142 HydrophobicContact CG-CD2 3.8Å; M138-F142 HydrophobicContact CG-CE2 3.45Å; M138-F142 VanDerWaalsContact CG-CE2 3.45Å; M138-F142 VanDerWaalsContact O-CD2 3.22Å; M138-F142 WeakPolarHBondContact O-CD2 3.31Å; M138-F142 PolarHBondContact O-N 3.47Å; M138-F142 VanDerWaalsContact O-N 3.08Å; M138-F142 HydrophobicContact SD-CE2 3.96Å; M138-A167 WeakPolarHBondContact CE-O 3.3Å; M138-V170 HydrophobicContact CE-CB 4.29Å; M138-V170 HydrophobicContact CE-CG1 4.19Å; M138-A171 HydrophobicContact CE-CB 4.17Å; M138-A171 HydrophobicContact SD-CB 4.2Å; M138-W184 HydrophobicContact CG-CH2 4.39Å; M138-W184 HydrophobicContact CG-CZ2 4.39Å; M138-W184 HydrophobicContact SD-CD2 4.29Å; M138-W184 HydrophobicContact SD-CE3 3.79Å; M138-W184 HydrophobicContact SD-CH2 3.56Å; M138-W184 VanDerWaalsContact SD-CH2 3.56Å; M138-W184 HydrophobicContact SD-CZ2 4.1Å; M138-W184 HydrophobicContact SD-CZ3 3.41Å; M138-W184 WeakPolarHBondContact SD-CZ3 3.42Å |
| 139 | P | 77.2 | Confident | 77.9 | Confident | 55 Ų | 55 | 29.6 Ų | 29.6 | 36% | 0.357 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60.3 | -50.3 | 175.6 | -24.2 | 34.7 | 0 | 0 | 0 | 113 | H137 F141 F142 D143 | H137-P139 VanDerWaalsContact C-CD 3.43Å; P139-F141 VanDerWaalsContact C-N 3.27Å; P139-F141 PolarHBondContact O-N 3.28Å; P139-F142 PolarHBondContact O-N 3.23Å; P139-D143 PolarHBondContact O-N 3.38Å; P139-D143 VanDerWaalsContact O-N 3.1Å |
| 140 | H | 78.1 | Confident | 78 | Confident | 108 Ų | 108 | 28.9 Ų | 28.9 | 50% | 0.5 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -67.8 | -29 | 178.8 | -64.8 | -20.9 | 0 | 0 | 0 | 112.3 | L101 H137 D143 C144 | L101-H140 HydrophobicContact CD1-CB 4.07Å; H137-H140 PolarHBondContact O-N 3.18Å; H140-D143 IonicContact ND1-OD2 3.4Å; H140-D143 PolarHBondContact O-N 2.72Å; H140-C144 PolarHBondContact O-N 2.92Å; H140-C144 PolarHBondContact O-SG 2.82Å; H140-C144 VanDerWaalsContact O-SG 3.4Å |
| 141 | F | 85.1 | Confident | 78.2 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.5 | -48.9 | 170.4 | 170.9 | -95.1 | 0 | 0 | 0 | 111.9 | L101 L123 F134 H137 M138 P139 D143 C144 I145 A163 L164 A167 | L101-F141 HydrophobicContact CD2-CB 4.28Å; L123-F141 HydrophobicContact CB-CD2 4.48Å; L123-F141 HydrophobicContact CB-CE2 4.17Å; L123-F141 HydrophobicContact CD1-CD2 4.01Å; L123-F141 HydrophobicContact CD1-CE2 4.1Å; L123-F141 HydrophobicContact CD2-CD2 4.41Å; F134-F141 HydrophobicContact CE2-CD2 4.15Å; F134-F141 HydrophobicContact CZ-CB 4.42Å; F134-F141 HydrophobicContact CZ-CD1 4.22Å; F134-F141 AromaticContact CZ-CD2 3.68Å; F134-F141 HydrophobicContact CZ-CD2 3.68Å; F134-F141 HydrophobicContact CZ-CE1 4.45Å; F134-F141 AromaticContact CZ-CE2 3.93Å; F134-F141 HydrophobicContact CZ-CE2 3.93Å; F134-F141 AromaticContact CZ-CG 3.83Å; F134-F141 HydrophobicContact CZ-CG 3.83Å; F134-F141 HydrophobicContact CZ-CZ 4.31Å; H137-F141 PolarHBondContact O-N 3.27Å; M138-F141 WeakPolarHBondContact O-CB 3.26Å; M138-F141 PolarHBondContact O-N 3.31Å; P139-F141 VanDerWaalsContact C-N 3.27Å; P139-F141 PolarHBondContact O-N 3.28Å; F141-D143 VanDerWaalsContact C-N 3.31Å; F141-D143 PolarHBondContact O-N 2.99Å; F141-C144 PolarHBondContact O-N 2.99Å; F141-I145 HydrophobicContact CD1-CG2 4.48Å; F141-I145 HydrophobicContact CE1-CB 4.29Å; F141-I145 HydrophobicContact CE1-CG1 4.37Å; F141-I145 HydrophobicContact CE1-CG2 4.1Å; F141-I145 HydrophobicContact CE2-CB 4.27Å; F141-I145 HydrophobicContact CE2-CD1 3.95Å; F141-I145 HydrophobicContact CE2-CG1 4.13Å; F141-I145 HydrophobicContact CZ-CB 4.07Å; F141-I145 HydrophobicContact CZ-CD1 4.04Å; F141-I145 HydrophobicContact CZ-CG1 3.79Å; F141-I145 HydrophobicContact CZ-CG2 4.34Å; F141-I145 WeakPolarHBondContact O-CB 3.49Å; F141-I145 WeakPolarHBondContact O-CG2 3.48Å; F141-I145 PolarHBondContact O-N 3.36Å; F141-A163 HydrophobicContact CE2-CB 4.25Å; F141-A163 HydrophobicContact CZ-CB 4.24Å; F141-L164 HydrophobicContact CE1-CD1 4.23Å; F141-A167 HydrophobicContact CD1-CB 4.06Å; F141-A167 HydrophobicContact CE1-CB 3.48Å; F141-A167 VanDerWaalsContact CE1-CB 3.48Å; F141-A167 HydrophobicContact CZ-CB 3.96Å |
| 142 | F | 83 | Confident | 78.2 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.7 | -35.3 | 178.5 | -79.3 | -65.8 | 0 | 0 | 0 | 112.3 | M138 P139 C144 I145 F146 L164 L168 W184 L187 | M138-F142 HydrophobicContact CG-CD2 3.8Å; M138-F142 HydrophobicContact CG-CE2 3.45Å; M138-F142 VanDerWaalsContact CG-CE2 3.45Å; M138-F142 VanDerWaalsContact O-CD2 3.22Å; M138-F142 WeakPolarHBondContact O-CD2 3.31Å; M138-F142 PolarHBondContact O-N 3.47Å; M138-F142 VanDerWaalsContact O-N 3.08Å; M138-F142 HydrophobicContact SD-CE2 3.96Å; P139-F142 PolarHBondContact O-N 3.23Å; F142-C144 VanDerWaalsContact C-N 3.31Å; F142-C144 PolarHBondContact O-N 2.84Å; F142-I145 HydrophobicContact CD1-CG2 4.49Å; F142-F146 HydrophobicContact CB-CE2 4.23Å; F142-F146 HydrophobicContact CD1-CE2 4.12Å; F142-F146 AromaticContact CD1-CZ 3.83Å; F142-F146 HydrophobicContact CD1-CZ 3.83Å; F142-F146 WeakPolarHBondContact O-CD2 3.2Å; F142-F146 WeakPolarHBondContact O-CE2 3.33Å; F142-L164 HydrophobicContact CD1-CD1 4.25Å; F142-L164 HydrophobicContact CE1-CD1 3.55Å; F142-L164 HydrophobicContact CZ-CD1 4.4Å; F142-L168 HydrophobicContact CZ-CD2 4.27Å; F142-W184 HydrophobicContact CD2-CB 4.41Å; F142-W184 AromaticContact CD2-CD1 3.82Å; F142-W184 HydrophobicContact CD2-CD2 4.47Å; F142-W184 HydrophobicContact CD2-CG 4.01Å; F142-W184 HydrophobicContact CE2-CB 3.85Å; F142-W184 AromaticContact CE2-CD1 3.96Å; F142-W184 AromaticContact CE2-CD2 3.97Å; F142-W184 HydrophobicContact CE2-CD2 3.97Å; F142-W184 HydrophobicContact CE2-CE3 4.49Å; F142-W184 AromaticContact CE2-CG 3.67Å; F142-W184 HydrophobicContact CE2-CG 3.67Å; F142-W184 HydrophobicContact CZ-CB 3.98Å; F142-W184 HydrophobicContact CZ-CG 4.32Å; F142-L187 HydrophobicContact CB-CD2 4.3Å |
| 143 | D | 80.7 | Confident | 78.4 | Confident | 111 Ų | 111 | 35.1 Ų | 35.1 | 59% | 0.594 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -61.8 | -37.7 | 176.4 | -62.5 | -29.6 | 0 | 0 | 0 | 112.3 | P139 H140 F141 | P139-D143 PolarHBondContact O-N 3.38Å; P139-D143 VanDerWaalsContact O-N 3.1Å; H140-D143 IonicContact ND1-OD2 3.4Å; H140-D143 PolarHBondContact O-N 2.72Å; F141-D143 VanDerWaalsContact C-N 3.31Å; F141-D143 PolarHBondContact O-N 2.99Å |
| 144 | C | 81.8 | Confident | 78.6 | Confident | 26 Ų | 26 | 37 Ų | 37 | 18% | 0.176 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -91.8 | -32.6 | -175.3 | -61.6 | 0 | 0 | 0 | 0 | 114.5 | L101 L104 H140 F141 F142 F146 | L101-C144 HydrophobicContact CD2-CB 4.45Å; L104-C144 HydrophobicContact CB-CB 4.05Å; L104-C144 HydrophobicContact CD1-CB 4.34Å; H140-C144 PolarHBondContact O-N 2.92Å; H140-C144 PolarHBondContact O-SG 2.82Å; H140-C144 VanDerWaalsContact O-SG 3.4Å; F141-C144 PolarHBondContact O-N 2.99Å; F142-C144 VanDerWaalsContact C-N 3.31Å; F142-C144 PolarHBondContact O-N 2.84Å; C144-F146 PolarHBondContact O-N 3.46Å |
| 145 | I | 83.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.8 | -31.6 | -168.8 | -162.7 | 64.9 | 0 | 0 | 0 | 113.3 | F141 F142 E147 V148 L149 A160 A163 | F141-I145 HydrophobicContact CD1-CG2 4.48Å; F141-I145 HydrophobicContact CE1-CB 4.29Å; F141-I145 HydrophobicContact CE1-CG1 4.37Å; F141-I145 HydrophobicContact CE1-CG2 4.1Å; F141-I145 HydrophobicContact CE2-CB 4.27Å; F141-I145 HydrophobicContact CE2-CD1 3.95Å; F141-I145 HydrophobicContact CE2-CG1 4.13Å; F141-I145 HydrophobicContact CZ-CB 4.07Å; F141-I145 HydrophobicContact CZ-CD1 4.04Å; F141-I145 HydrophobicContact CZ-CG1 3.79Å; F141-I145 HydrophobicContact CZ-CG2 4.34Å; F141-I145 WeakPolarHBondContact O-CB 3.49Å; F141-I145 WeakPolarHBondContact O-CG2 3.48Å; F141-I145 PolarHBondContact O-N 3.36Å; F142-I145 HydrophobicContact CD1-CG2 4.49Å; I145-E147 VanDerWaalsContact C-N 3.35Å; I145-E147 PolarHBondContact O-N 2.99Å; I145-V148 PolarHBondContact O-N 2.97Å; I145-L149 HydrophobicContact CG1-CD1 4.4Å; I145-L149 WeakPolarHBondContact O-CG 3.48Å; I145-L149 PolarHBondContact O-N 2.97Å; I145-A160 HydrophobicContact CD1-CB 4Å; I145-A163 HydrophobicContact CD1-CB 4.47Å |
| 146 | F | 82.2 | Confident | 78.6 | Confident | 16 Ų | 16 | 39.1 Ų | 39.1 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.3 | -31.7 | -176.9 | -62.6 | -56.7 | 0 | 0 | 0 | 113.2 | F142 C144 V148 L149 K150 L187 Q191 | F142-F146 HydrophobicContact CB-CE2 4.23Å; F142-F146 HydrophobicContact CD1-CE2 4.12Å; F142-F146 AromaticContact CD1-CZ 3.83Å; F142-F146 HydrophobicContact CD1-CZ 3.83Å; F142-F146 WeakPolarHBondContact O-CD2 3.2Å; F142-F146 WeakPolarHBondContact O-CE2 3.33Å; C144-F146 PolarHBondContact O-N 3.46Å; F146-V148 VanDerWaalsContact C-N 3.34Å; F146-L149 HydrophobicContact CD1-CD1 4.14Å; F146-L149 PolarHBondContact O-N 3.41Å; F146-K150 WeakPolarHBondContact O-CD 3.38Å; F146-K150 WeakPolarHBondContact O-CG 3.46Å; F146-K150 PolarHBondContact O-N 3.23Å; F146-L187 HydrophobicContact CE2-CD2 3.67Å; F146-L187 HydrophobicContact CE2-CG 4.05Å; F146-L187 HydrophobicContact CZ-CD2 4.26Å; F146-L187 HydrophobicContact CZ-CG 4.42Å; F146-Q191 HydrophobicContact CB-CG 4.49Å; F146-Q191 HydrophobicContact CD1-CB 4.05Å; F146-Q191 HydrophobicContact CD1-CG 4.03Å; F146-Q191 HydrophobicContact CD2-CG 3.92Å; F146-Q191 HydrophobicContact CE1-CB 4.15Å; F146-Q191 HydrophobicContact CE1-CG 4.21Å; F146-Q191 HydrophobicContact CE2-CG 4.11Å; F146-Q191 HydrophobicContact CG-CB 4.4Å; F146-Q191 HydrophobicContact CG-CG 3.89Å; F146-Q191 HydrophobicContact CZ-CG 4.25Å |
| 147 | E | 77.4 | Confident | 78.9 | Confident | 114 Ų | 114 | 37.5 Ų | 37.5 | 53% | 0.533 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69 | -33.6 | 174.2 | -73.4 | -55.6 | 128.7 | 0 | 0 | 112 | I145 K150 | I145-E147 VanDerWaalsContact C-N 3.35Å; I145-E147 PolarHBondContact O-N 2.99Å; E147-K150 WeakPolarHBondContact O-CB 3.45Å; E147-K150 PolarHBondContact O-N 3.11Å; E147-K150 IonicContact OE1-NZ 2.82Å |
| 148 | V | 76.7 | Confident | 78.9 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -78.2 | -30.3 | 178.1 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | L104 I145 F146 K150 D151 I156 A160 | L104-V148 HydrophobicContact CB-CG2 4.19Å; L104-V148 HydrophobicContact CD2-CB 4.27Å; L104-V148 HydrophobicContact CD2-CG1 4.19Å; L104-V148 HydrophobicContact CD2-CG2 3.47Å; L104-V148 VanDerWaalsContact CD2-CG2 3.47Å; L104-V148 HydrophobicContact CG-CG2 4.32Å; I145-V148 PolarHBondContact O-N 2.97Å; F146-V148 VanDerWaalsContact C-N 3.34Å; V148-K150 PolarHBondContact O-N 3.39Å; V148-D151 WeakPolarHBondContact O-CB 3.14Å; V148-D151 PolarHBondContact O-N 3.18Å; V148-I156 HydrophobicContact CG1-CG2 3.53Å; V148-A160 HydrophobicContact CG1-CB 4.13Å |
| 149 | L | 77.2 | Confident | 78.9 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.1 | -19.1 | 169.6 | -75.6 | 166.5 | 0 | 0 | 0 | 112.5 | I145 F146 R157 A160 I161 L164 S213 I217 | I145-L149 HydrophobicContact CG1-CD1 4.4Å; I145-L149 WeakPolarHBondContact O-CG 3.48Å; I145-L149 PolarHBondContact O-N 2.97Å; F146-L149 HydrophobicContact CD1-CD1 4.14Å; F146-L149 PolarHBondContact O-N 3.41Å; L149-R157 WeakPolarHBondContact O-CD 3.49Å; L149-R157 WeakPolarHBondContact O-CG 3.23Å; L149-A160 HydrophobicContact CD2-CB 3.8Å; L149-A160 HydrophobicContact CG-CB 4.09Å; L149-I161 HydrophobicContact CD1-CD1 4.43Å; L149-I161 HydrophobicContact CD2-CB 4.02Å; L149-I161 HydrophobicContact CD2-CD1 3.87Å; L149-L164 HydrophobicContact CD1-CD2 4.22Å; L149-S213 WeakPolarHBondContact O-CB 3.32Å; L149-S213 PolarHBondContact O-OG 3.07Å; L149-I217 HydrophobicContact CD1-CD1 4.14Å; L149-I217 HydrophobicContact CD1-CG1 4.15Å |
| 150 | K | 77 | Confident | 79.2 | Confident | 22 Ų | 22 | 39.6 Ų | 39.6 | 10% | 0.096 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 6.3 | 178.2 | -73.5 | 165.5 | 179.8 | 178.8 | 0 | 113.6 | F146 E147 V148 R210 | F146-K150 WeakPolarHBondContact O-CD 3.38Å; F146-K150 WeakPolarHBondContact O-CG 3.46Å; F146-K150 PolarHBondContact O-N 3.23Å; E147-K150 WeakPolarHBondContact O-CB 3.45Å; E147-K150 PolarHBondContact O-N 3.11Å; E147-K150 IonicContact OE1-NZ 2.82Å; V148-K150 PolarHBondContact O-N 3.39Å; K150-R210 VanDerWaalsContact CG-NH1 3.34Å |
| 151 | D | 76.7 | Confident | 79.7 | Confident | 8 Ų | 8 | 34.7 Ų | 34.7 | 4% | 0.043 | 18% | 0.181 | C | C | . | . | trans | -70.1 | 144.8 | -178.2 | -165.7 | -83.7 | 0 | 0 | 0 | 113.5 | R116 V148 K153 I156 R157 | R116-D151 IonicContact CZ-OD2 3.72Å; R116-D151 IonicContact NH1-OD2 2.79Å; R116-D151 PolarHBondContact NH1-OD2 3.48Å; R116-D151 IonicContact NH2-OD2 3.3Å; R116-D151 PolarHBondContact NH2-OD2 3.15Å; V148-D151 WeakPolarHBondContact O-CB 3.14Å; V148-D151 PolarHBondContact O-N 3.18Å; D151-K153 VanDerWaalsContact C-N 3.3Å; D151-K153 PolarHBondContact O-N 2.92Å; D151-K153 PolarHBondContact OD1-N 2.99Å; D151-I156 HydrophobicContact CB-CG2 4.32Å; D151-R157 WeakPolarHBondContact O-CD 3.44Å; D151-R157 PolarHBondContact O-NE 2.91Å; D151-R157 VanDerWaalsContact O-NE 3.17Å | ||
| 152 | P | 73.4 | Confident | 79.5 | Confident | 92 Ų | 92 | 36.4 Ų | 36.4 | 60% | 0.597 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -62.7 | -26.8 | 177.4 | 23.9 | -35.7 | 0 | 0 | 0 | 114.7 | ||
| 153 | K | 75.6 | Confident | 79.6 | Confident | 86 Ų | 86 | 36.3 Ų | 36.3 | 37% | 0.374 | 19% | 0.188 | S | C | . | . | trans | -82.3 | 122.7 | -179.8 | -87.2 | -175.4 | 174.9 | -179.1 | 0 | 112.4 | E113 D151 S155 I156 R157 | E113-K153 WeakPolarHBondContact OE1-CE 3.48Å; E113-K153 IonicContact OE1-NZ 2.96Å; E113-K153 PolarHBondContact OE1-NZ 3.32Å; E113-K153 VanDerWaalsContact OE1-NZ 3.14Å; E113-K153 IonicContact OE2-NZ 3.68Å; E113-K153 PolarHBondContact OE2-NZ 2.84Å; D151-K153 VanDerWaalsContact C-N 3.3Å; D151-K153 PolarHBondContact O-N 2.92Å; D151-K153 PolarHBondContact OD1-N 2.99Å; K153-S155 VanDerWaalsContact C-N 3.31Å; K153-S155 PolarHBondContact O-N 3.5Å; K153-I156 HydrophobicContact CB-CB 4.43Å; K153-I156 HydrophobicContact CB-CD1 4.04Å; K153-I156 HydrophobicContact CB-CG1 4.19Å; K153-I156 HydrophobicContact CD-CD1 4.37Å; K153-I156 PolarHBondContact O-N 3.02Å; K153-R157 PolarHBondContact O-N 3.23Å | ||
| 154 | I | 76.3 | Confident | 80 | Confident | 64 Ų | 64 | 31 Ų | 31 | 33% | 0.328 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -58.6 | -41.2 | 176.4 | -64.4 | 167.7 | 0 | 0 | 0 | 111.6 | I156 R157 E158 A311 | I154-I156 VanDerWaalsContact C-N 3.33Å; I154-I156 PolarHBondContact O-N 3.38Å; I154-R157 VanDerWaalsContact CG1-NH2 3.34Å; I154-R157 PolarHBondContact O-N 2.93Å; I154-R157 VanDerWaalsContact O-N 3.12Å; I154-E158 HydrophobicContact CG2-CG 4.2Å; I154-E158 PolarHBondContact O-N 3.06Å; I154-A311 HydrophobicContact CD1-CB 4.31Å |
| 155 | S | 74.9 | Confident | 80.2 | Confident | 56 Ų | 56 | 33 Ų | 33 | 39% | 0.392 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.9 | -36 | -178.6 | 57 | 0 | 0 | 0 | 0 | 113.2 | K153 R159 | K153-S155 VanDerWaalsContact C-N 3.31Å; K153-S155 PolarHBondContact O-N 3.5Å; S155-R159 WeakPolarHBondContact O-CG 3.45Å; S155-R159 PolarHBondContact O-N 2.63Å |
| 156 | I | 79.2 | Confident | 80.1 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.2 | -42 | 174.6 | -66.5 | 171.9 | 0 | 0 | 0 | 110 | F117 V148 D151 K153 I154 R159 A160 | F117-I156 HydrophobicContact CB-CG1 4.27Å; F117-I156 HydrophobicContact CD2-CG1 3.74Å; V148-I156 HydrophobicContact CG1-CG2 3.53Å; D151-I156 HydrophobicContact CB-CG2 4.32Å; K153-I156 HydrophobicContact CB-CB 4.43Å; K153-I156 HydrophobicContact CB-CD1 4.04Å; K153-I156 HydrophobicContact CB-CG1 4.19Å; K153-I156 HydrophobicContact CD-CD1 4.37Å; K153-I156 PolarHBondContact O-N 3.02Å; I154-I156 VanDerWaalsContact C-N 3.33Å; I154-I156 PolarHBondContact O-N 3.38Å; I156-R159 PolarHBondContact O-N 3.43Å; I156-A160 WeakPolarHBondContact O-CB 3.43Å; I156-A160 PolarHBondContact O-N 3.35Å |
| 157 | R | 82.2 | Confident | 80.2 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.1 | -40.7 | -179.7 | -68.8 | -175.2 | -74.6 | -179.7 | -8.7 | 113.3 | L149 D151 K153 I154 R159 A160 I161 D209 S213 L216 | L149-R157 WeakPolarHBondContact O-CD 3.49Å; L149-R157 WeakPolarHBondContact O-CG 3.23Å; D151-R157 WeakPolarHBondContact O-CD 3.44Å; D151-R157 PolarHBondContact O-NE 2.91Å; D151-R157 VanDerWaalsContact O-NE 3.17Å; K153-R157 PolarHBondContact O-N 3.23Å; I154-R157 VanDerWaalsContact CG1-NH2 3.34Å; I154-R157 PolarHBondContact O-N 2.93Å; I154-R157 VanDerWaalsContact O-N 3.12Å; R157-R159 VanDerWaalsContact C-N 3.29Å; R157-R159 PolarHBondContact O-N 3.38Å; R157-A160 PolarHBondContact O-N 3.4Å; R157-I161 WeakPolarHBondContact O-CB 3.39Å; R157-I161 PolarHBondContact O-N 2.93Å; R157-D209 IonicContact CZ-OD1 3.72Å; R157-D209 PolarHBondContact NH1-O 3.33Å; R157-D209 IonicContact NH1-OD1 3.62Å; R157-D209 IonicContact NH2-OD1 2.72Å; R157-D209 PolarHBondContact NH2-OD1 3.36Å; R157-S213 WeakPolarHBondContact CD-OG 3.48Å; R157-S213 PolarHBondContact NH1-OG 2.95Å; R157-L216 HydrophobicContact CB-CD1 4.32Å |
| 158 | E | 79.3 | Confident | 80.6 | Confident | 72 Ų | 72 | 27 Ų | 27 | 34% | 0.336 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.6 | -35 | 175.1 | -73.6 | -179.7 | 166.1 | 0 | 0 | 112.3 | I154 I161 E162 | I154-E158 HydrophobicContact CG2-CG 4.2Å; I154-E158 PolarHBondContact O-N 3.06Å; E158-I161 VanDerWaalsContact O-CG2 3.25Å; E158-I161 WeakPolarHBondContact O-CG2 3.28Å; E158-E162 WeakPolarHBondContact O-CG 3.27Å; E158-E162 PolarHBondContact O-N 3.06Å |
| 159 | R | 78.7 | Confident | 80.7 | Confident | 46 Ų | 46 | 27.4 Ų | 27.4 | 17% | 0.174 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -78.2 | -39.3 | 174.9 | -67.4 | -63 | 107 | 146.7 | 4 | 112.5 | L67 E71 F117 A120 V121 S155 I156 R157 I161 E162 A163 | L67-R159 HydrophobicContact CD1-CG 4.33Å; E71-R159 IonicContact OE1-NH1 3.95Å; E71-R159 PolarHBondContact OE1-NH1 3.44Å; F117-R159 HydrophobicContact CE2-CG 4.01Å; F117-R159 HydrophobicContact CZ-CG 4.22Å; A120-R159 HydrophobicContact CB-CB 4.2Å; V121-R159 HydrophobicContact CG2-CB 4.46Å; V121-R159 HydrophobicContact CG2-CG 4.25Å; S155-R159 WeakPolarHBondContact O-CG 3.45Å; S155-R159 PolarHBondContact O-N 2.63Å; I156-R159 PolarHBondContact O-N 3.43Å; R157-R159 VanDerWaalsContact C-N 3.29Å; R157-R159 PolarHBondContact O-N 3.38Å; R159-I161 VanDerWaalsContact C-N 3.29Å; R159-I161 PolarHBondContact O-N 2.96Å; R159-E162 VanDerWaalsContact CZ-CD 3.42Å; R159-E162 IonicContact CZ-OE1 2.65Å; R159-E162 IonicContact CZ-OE2 2.81Å; R159-E162 IonicContact NE-OE1 2.74Å; R159-E162 PolarHBondContact NE-OE1 2.96Å; R159-E162 IonicContact NE-OE2 3.57Å; R159-E162 PolarHBondContact NE-OE2 3.2Å; R159-E162 IonicContact NH1-OE2 2.79Å; R159-E162 PolarHBondContact NH1-OE2 3.4Å; R159-E162 IonicContact NH2-OE1 3.36Å; R159-E162 PolarHBondContact NH2-OE1 3Å; R159-E162 IonicContact NH2-OE2 3.23Å; R159-E162 PolarHBondContact NH2-OE2 3.06Å; R159-E162 WeakPolarHBondContact O-CB 3.37Å; R159-E162 PolarHBondContact O-N 2.7Å; R159-A163 PolarHBondContact O-N 3.41Å |
| 160 | A | 84.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.2 | -37.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I145 V148 L149 I156 R157 A163 L164 | I145-A160 HydrophobicContact CD1-CB 4Å; V148-A160 HydrophobicContact CG1-CB 4.13Å; L149-A160 HydrophobicContact CD2-CB 3.8Å; L149-A160 HydrophobicContact CG-CB 4.09Å; I156-A160 WeakPolarHBondContact O-CB 3.43Å; I156-A160 PolarHBondContact O-N 3.35Å; R157-A160 PolarHBondContact O-N 3.4Å; A160-A163 WeakPolarHBondContact O-CB 3.39Å; A160-A163 PolarHBondContact O-N 3.43Å; A160-L164 PolarHBondContact O-N 3.06Å |
| 161 | I | 87.2 | Confident | 80.7 | Confident | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.6 | -31.7 | 175.7 | -157.3 | 78 | 0 | 0 | 0 | 112.2 | L149 R157 E158 R159 A163 L164 R165 L216 I217 E220 | L149-I161 HydrophobicContact CD1-CD1 4.43Å; L149-I161 HydrophobicContact CD2-CB 4.02Å; L149-I161 HydrophobicContact CD2-CD1 3.87Å; R157-I161 WeakPolarHBondContact O-CB 3.39Å; R157-I161 PolarHBondContact O-N 2.93Å; E158-I161 VanDerWaalsContact O-CG2 3.25Å; E158-I161 WeakPolarHBondContact O-CG2 3.28Å; R159-I161 VanDerWaalsContact C-N 3.29Å; R159-I161 PolarHBondContact O-N 2.96Å; I161-A163 VanDerWaalsContact C-N 3.35Å; I161-L164 HydrophobicContact CD1-CB 4.44Å; I161-L164 HydrophobicContact CD1-CD2 3.75Å; I161-L164 PolarHBondContact O-N 3.37Å; I161-R165 WeakPolarHBondContact O-CB 3.46Å; I161-R165 PolarHBondContact O-N 2.9Å; I161-L216 HydrophobicContact CB-CB 4.41Å; I161-L216 HydrophobicContact CD1-CB 3.89Å; I161-L216 HydrophobicContact CG1-CB 3.93Å; I161-L216 HydrophobicContact CG2-CD1 4.33Å; I161-L216 HydrophobicContact CG2-CD2 4.21Å; I161-I217 HydrophobicContact CD1-CB 4.47Å; I161-I217 HydrophobicContact CD1-CG1 3.87Å; I161-E220 HydrophobicContact CD1-CG 4.27Å; I161-E220 HydrophobicContact CG1-CG 3.67Å |
| 162 | E | 82.2 | Confident | 80.7 | Confident | 37 Ų | 37 | 26.7 Ų | 26.7 | 17% | 0.173 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.7 | -38.3 | 170.6 | -77.3 | 173.8 | -158.7 | 0 | 0 | 112.2 | K124 E158 R159 L164 R165 A166 | K124-E162 HydrophobicContact CD-CB 3.92Å; K124-E162 WeakPolarHBondContact CE-OE2 3.48Å; K124-E162 HydrophobicContact CG-CB 4.27Å; K124-E162 IonicContact NZ-OE2 3.54Å; K124-E162 PolarHBondContact NZ-OE2 3.25Å; E158-E162 WeakPolarHBondContact O-CG 3.27Å; E158-E162 PolarHBondContact O-N 3.06Å; R159-E162 VanDerWaalsContact CZ-CD 3.42Å; R159-E162 IonicContact CZ-OE1 2.65Å; R159-E162 IonicContact CZ-OE2 2.81Å; R159-E162 IonicContact NE-OE1 2.74Å; R159-E162 PolarHBondContact NE-OE1 2.96Å; R159-E162 IonicContact NE-OE2 3.57Å; R159-E162 PolarHBondContact NE-OE2 3.2Å; R159-E162 IonicContact NH1-OE2 2.79Å; R159-E162 PolarHBondContact NH1-OE2 3.4Å; R159-E162 IonicContact NH2-OE1 3.36Å; R159-E162 PolarHBondContact NH2-OE1 3Å; R159-E162 IonicContact NH2-OE2 3.23Å; R159-E162 PolarHBondContact NH2-OE2 3.06Å; R159-E162 WeakPolarHBondContact O-CB 3.37Å; R159-E162 PolarHBondContact O-N 2.7Å; E162-L164 VanDerWaalsContact C-N 3.34Å; E162-R165 WeakPolarHBondContact O-CB 3.29Å; E162-R165 PolarHBondContact O-N 3.2Å; E162-A166 PolarHBondContact O-N 3.45Å |
| 163 | A | 85.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L123 K124 F141 I145 R159 A160 I161 R165 A166 A167 | L123-A163 HydrophobicContact CB-CB 4.45Å; K124-A163 HydrophobicContact CB-CB 4Å; F141-A163 HydrophobicContact CE2-CB 4.25Å; F141-A163 HydrophobicContact CZ-CB 4.24Å; I145-A163 HydrophobicContact CD1-CB 4.47Å; R159-A163 PolarHBondContact O-N 3.41Å; A160-A163 WeakPolarHBondContact O-CB 3.39Å; A160-A163 PolarHBondContact O-N 3.43Å; I161-A163 VanDerWaalsContact C-N 3.35Å; A163-R165 VanDerWaalsContact C-N 3.34Å; A163-R165 PolarHBondContact O-N 3.36Å; A163-A166 PolarHBondContact O-N 3.01Å; A163-A167 WeakPolarHBondContact O-CB 3.34Å; A163-A167 PolarHBondContact O-N 3.09Å |
| 164 | L | 88.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 174 | -177.2 | 63.8 | 0 | 0 | 0 | 111.7 | F141 F142 L149 A160 I161 E162 A167 L168 I217 | F141-L164 HydrophobicContact CE1-CD1 4.23Å; F142-L164 HydrophobicContact CD1-CD1 4.25Å; F142-L164 HydrophobicContact CE1-CD1 3.55Å; F142-L164 HydrophobicContact CZ-CD1 4.4Å; L149-L164 HydrophobicContact CD1-CD2 4.22Å; A160-L164 PolarHBondContact O-N 3.06Å; I161-L164 HydrophobicContact CD1-CB 4.44Å; I161-L164 HydrophobicContact CD1-CD2 3.75Å; I161-L164 PolarHBondContact O-N 3.37Å; E162-L164 VanDerWaalsContact C-N 3.34Å; L164-A167 PolarHBondContact O-N 3.48Å; L164-L168 HydrophobicContact CD1-CD1 4.32Å; L164-L168 HydrophobicContact CD1-CG 4.17Å; L164-L168 HydrophobicContact CG-CD1 3.98Å; L164-L168 HydrophobicContact CG-CG 4.27Å; L164-L168 WeakPolarHBondContact O-CB 3.5Å; L164-L168 VanDerWaalsContact O-CG 3.27Å; L164-L168 WeakPolarHBondContact O-CG 3.47Å; L164-L168 PolarHBondContact O-N 2.95Å; L164-I217 HydrophobicContact CD2-CG1 4.33Å |
| 165 | R | 85.4 | Confident | 79.8 | Confident | 67 Ų | 67 | 22.4 Ų | 22.4 | 25% | 0.253 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -57.7 | -51.5 | 174.8 | 178 | -170.4 | -63.7 | 157.6 | 7.9 | 110.9 | I161 E162 A163 A167 L168 V169 E220 R223 | I161-R165 WeakPolarHBondContact O-CB 3.46Å; I161-R165 PolarHBondContact O-N 2.9Å; E162-R165 WeakPolarHBondContact O-CB 3.29Å; E162-R165 PolarHBondContact O-N 3.2Å; A163-R165 VanDerWaalsContact C-N 3.34Å; A163-R165 PolarHBondContact O-N 3.36Å; R165-A167 VanDerWaalsContact C-N 3.31Å; R165-A167 PolarHBondContact O-N 3.3Å; R165-L168 PolarHBondContact O-N 3.23Å; R165-V169 WeakPolarHBondContact O-CG2 3.25Å; R165-V169 PolarHBondContact O-N 3.35Å; R165-E220 HydrophobicContact CB-CG 4.42Å; R165-E220 WeakPolarHBondContact CB-OE2 3.46Å; R165-E220 VanDerWaalsContact CG-OE2 3.3Å; R165-E220 WeakPolarHBondContact CG-OE2 3.46Å; R165-E220 IonicContact CZ-OE1 2.63Å; R165-E220 IonicContact CZ-OE2 3.53Å; R165-E220 VanDerWaalsContact NE-CD 3.32Å; R165-E220 IonicContact NE-OE1 3.68Å; R165-E220 PolarHBondContact NE-OE1 2.95Å; R165-E220 IonicContact NE-OE2 2.85Å; R165-E220 PolarHBondContact NE-OE2 3.41Å; R165-E220 IonicContact NH2-OE1 3.57Å; R165-E220 PolarHBondContact NH2-OE1 3.11Å; R165-E220 IonicContact NH2-OE2 3.61Å; R165-R223 VanDerWaalsContact NH1-NH1 3.19Å |
| 166 | A | 82.5 | Confident | 79 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 2% | 0.017 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.5 | -45.8 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | A127 E162 A163 L168 V169 V170 | A127-A166 HydrophobicContact CB-CB 3.68Å; E162-A166 PolarHBondContact O-N 3.45Å; A163-A166 PolarHBondContact O-N 3.01Å; A166-L168 PolarHBondContact O-N 3.41Å; A166-V169 PolarHBondContact O-N 3.34Å; A166-V170 WeakPolarHBondContact O-CG2 3.46Å; A166-V170 PolarHBondContact O-N 3.24Å |
| 167 | A | 84.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.8 | -43.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | F134 M138 F141 A163 L164 R165 V169 V170 A171 | F134-A167 HydrophobicContact CE1-CB 3.64Å; F134-A167 HydrophobicContact CZ-CB 4.04Å; M138-A167 WeakPolarHBondContact CE-O 3.3Å; F141-A167 HydrophobicContact CD1-CB 4.06Å; F141-A167 HydrophobicContact CE1-CB 3.48Å; F141-A167 VanDerWaalsContact CE1-CB 3.48Å; F141-A167 HydrophobicContact CZ-CB 3.96Å; A163-A167 WeakPolarHBondContact O-CB 3.34Å; A163-A167 PolarHBondContact O-N 3.09Å; L164-A167 PolarHBondContact O-N 3.48Å; R165-A167 VanDerWaalsContact C-N 3.31Å; R165-A167 PolarHBondContact O-N 3.3Å; A167-V169 VanDerWaalsContact C-N 3.33Å; A167-V170 PolarHBondContact O-N 2.81Å; A167-A171 WeakPolarHBondContact O-CB 3.35Å; A167-A171 PolarHBondContact O-N 2.78Å |
| 168 | L | 84 | Confident | 76.2 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.6 | -33.2 | 178.4 | -73.1 | 175.4 | 0 | 0 | 0 | 112.1 | F142 L164 R165 A166 A171 S172 Y185 E220 L221 N224 | F142-L168 HydrophobicContact CZ-CD2 4.27Å; L164-L168 HydrophobicContact CD1-CD1 4.32Å; L164-L168 HydrophobicContact CD1-CG 4.17Å; L164-L168 HydrophobicContact CG-CD1 3.98Å; L164-L168 HydrophobicContact CG-CG 4.27Å; L164-L168 WeakPolarHBondContact O-CB 3.5Å; L164-L168 VanDerWaalsContact O-CG 3.27Å; L164-L168 WeakPolarHBondContact O-CG 3.47Å; L164-L168 PolarHBondContact O-N 2.95Å; R165-L168 PolarHBondContact O-N 3.23Å; A166-L168 PolarHBondContact O-N 3.41Å; L168-A171 PolarHBondContact O-N 2.71Å; L168-S172 WeakPolarHBondContact O-CB 3.28Å; L168-S172 PolarHBondContact O-N 3.19Å; L168-Y185 HydrophobicContact CD2-CD1 4.02Å; L168-Y185 HydrophobicContact CD2-CE1 3.75Å; L168-E220 HydrophobicContact CD1-CB 4.42Å; L168-L221 HydrophobicContact CD1-CD2 4.39Å; L168-N224 VanDerWaalsContact C-ND2 3.34Å; L168-N224 PolarHBondContact O-ND2 3.28Å |
| 169 | V | 79.2 | Confident | 74.8 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.7 | -45.9 | 173.1 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | R165 A166 A167 A171 S172 Q173 V278 G279 F281 | R165-V169 WeakPolarHBondContact O-CG2 3.25Å; R165-V169 PolarHBondContact O-N 3.35Å; A166-V169 PolarHBondContact O-N 3.34Å; A167-V169 VanDerWaalsContact C-N 3.33Å; V169-A171 PolarHBondContact O-N 3.39Å; V169-S172 WeakPolarHBondContact CA-OG 3.5Å; V169-S172 PolarHBondContact O-N 2.85Å; V169-S172 VanDerWaalsContact O-N 3.1Å; V169-S172 PolarHBondContact O-OG 2.91Å; V169-Q173 WeakPolarHBondContact O-CG 3.25Å; V169-Q173 PolarHBondContact O-N 2.68Å; V169-V278 HydrophobicContact CB-CG1 3.56Å; V169-V278 HydrophobicContact CG1-CG1 3.54Å; V169-V278 HydrophobicContact CG2-CG1 3.52Å; V169-G279 VanDerWaalsContact CG1-O 3.28Å; V169-G279 WeakPolarHBondContact CG1-O 3.49Å; V169-F281 HydrophobicContact CG1-CD2 4.12Å |
| 170 | V | 77 | Confident | 73.4 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.5 | -39.2 | 174 | 177.7 | 0 | 0 | 0 | 0 | 111 | A127 P131 F135 M138 A166 A167 | A127-V170 WeakPolarHBondContact O-CG2 3.45Å; P131-V170 HydrophobicContact CB-CG1 4.09Å; P131-V170 HydrophobicContact CB-CG2 3.67Å; F135-V170 HydrophobicContact CB-CG1 4.2Å; F135-V170 HydrophobicContact CD2-CG1 4.04Å; M138-V170 HydrophobicContact CE-CB 4.29Å; M138-V170 HydrophobicContact CE-CG1 4.19Å; A166-V170 WeakPolarHBondContact O-CG2 3.46Å; A166-V170 PolarHBondContact O-N 3.24Å; A167-V170 PolarHBondContact O-N 2.81Å |
| 171 | A | 78.1 | Confident | 71.9 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -49 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | M138 A167 L168 V169 Q173 R174 E175 W184 | M138-A171 HydrophobicContact CE-CB 4.17Å; M138-A171 HydrophobicContact SD-CB 4.2Å; A167-A171 WeakPolarHBondContact O-CB 3.35Å; A167-A171 PolarHBondContact O-N 2.78Å; L168-A171 PolarHBondContact O-N 2.71Å; V169-A171 PolarHBondContact O-N 3.39Å; A171-Q173 VanDerWaalsContact C-N 3.3Å; A171-Q173 PolarHBondContact O-N 2.93Å; A171-R174 PolarHBondContact O-N 3.04Å; A171-E175 WeakPolarHBondContact O-CG 3.37Å; A171-E175 PolarHBondContact O-N 3.35Å; A171-W184 HydrophobicContact CB-CE3 4.3Å; A171-W184 HydrophobicContact CB-CZ3 4.38Å |
| 172 | S | 76 | Confident | 70.4 | Confident | 8 Ų | 8 | 53.1 Ų | 53.1 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.9 | -34.5 | -179.1 | 71.2 | 0 | 0 | 0 | 0 | 113.7 | L168 V169 R174 F281 | L168-S172 WeakPolarHBondContact O-CB 3.28Å; L168-S172 PolarHBondContact O-N 3.19Å; V169-S172 WeakPolarHBondContact CA-OG 3.5Å; V169-S172 PolarHBondContact O-N 2.85Å; V169-S172 VanDerWaalsContact O-N 3.1Å; V169-S172 PolarHBondContact O-OG 2.91Å; S172-R174 PolarHBondContact O-N 2.97Å; S172-F281 WeakPolarHBondContact OG-CB 3.21Å |
| 173 | Q | 72 | Confident | 69.7 | Low | 76 Ų | 76 | 58.4 Ų | 58.4 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.4 | -26 | 174.3 | -71.1 | 173.1 | -2.7 | 0 | 0 | 112.5 | V169 A171 F281 | V169-Q173 WeakPolarHBondContact O-CG 3.25Å; V169-Q173 PolarHBondContact O-N 2.68Å; A171-Q173 VanDerWaalsContact C-N 3.3Å; A171-Q173 PolarHBondContact O-N 2.93Å; Q173-F281 HydrophobicContact CG-CB 4.5Å; Q173-F281 HydrophobicContact CG-CD1 4.19Å; Q173-F281 HydrophobicContact CG-CD2 3.6Å; Q173-F281 HydrophobicContact CG-CE1 4.33Å; Q173-F281 HydrophobicContact CG-CE2 3.8Å; Q173-F281 HydrophobicContact CG-CG 3.83Å; Q173-F281 HydrophobicContact CG-CZ 4.15Å |
| 174 | R | 69.4 | Low | 69.2 | Low | 32 Ų | 32 | 60.4 Ų | 60.4 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 6.7 | -171.4 | -64 | 179.2 | 176 | -99.6 | 7.7 | 114 | T132 F135 A171 S172 I176 A1166 D1170 | T132-R174 PolarHBondContact OG1-NH2 2.85Å; T132-R174 VanDerWaalsContact OG1-NH2 3.14Å; F135-R174 HydrophobicContact CE2-CB 4.14Å; F135-R174 HydrophobicContact CZ-CB 4.15Å; A171-R174 PolarHBondContact O-N 3.04Å; S172-R174 PolarHBondContact O-N 2.97Å; R174-I176 PolarHBondContact O-N 3.23Å; R174-A1166 HydrophobicContact CB-CB 4.35Å; R174-A1166 HydrophobicContact CG-CB 4.46Å; R174-D1170 IonicContact CZ-OD1 2.66Å; R174-D1170 IonicContact CZ-OD2 3.66Å; R174-D1170 IonicContact NH1-OD1 2.88Å; R174-D1170 PolarHBondContact NH1-OD1 2.8Å; R174-D1170 IonicContact NH1-OD2 3.45Å; R174-D1170 PolarHBondContact NH1-OD2 3.15Å; R174-D1170 IonicContact NH2-OD1 2.69Å; R174-D1170 PolarHBondContact NH2-OD1 3.34Å; R174-D1170 IonicContact NH2-OD2 3.82Å |
| 175 | E | 65.9 | Low | 68.8 | Low | 45 Ų | 45 | 60.7 Ų | 60.7 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -77.7 | -15 | -176.2 | -81.9 | -173.9 | 133.1 | 0 | 0 | 115.3 | A171 K177 Y185 S283 T285 | A171-E175 WeakPolarHBondContact O-CG 3.37Å; A171-E175 PolarHBondContact O-N 3.35Å; E175-K177 PolarHBondContact O-N 3.49Å; E175-Y185 WeakPolarHBondContact OE1-CE2 3.32Å; E175-Y185 PolarHBondContact OE1-OH 3.21Å; E175-S283 PolarHBondContact OE1-OG 2.98Å; E175-S283 WeakPolarHBondContact OE2-CA 3.48Å; E175-S283 WeakPolarHBondContact OE2-CB 3.17Å; E175-S283 PolarHBondContact OE2-OG 3.32Å; E175-T285 WeakPolarHBondContact OE1-CB 3.33Å; E175-T285 PolarHBondContact OE1-OG1 2.97Å; E175-T285 PolarHBondContact OE2-OG1 3.28Å |
| 176 | I | 57 | Low | 68.4 | Low | 147 Ų | 147 | 62.5 Ų | 62.5 | 75% | 0.754 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -64.9 | -15.1 | -163 | -59.3 | 174.6 | 0 | 0 | 0 | 113.2 | R174 | R174-I176 PolarHBondContact O-N 3.23Š|
| 177 | K | 54.1 | Low | 68.5 | Low | 106 Ų | 106 | 65.6 Ų | 65.6 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -130.5 | -8.7 | -168.4 | -67.8 | -172 | 167.9 | -179.5 | 0 | 118.2 | E175 E1240 | E175-K177 PolarHBondContact O-N 3.49Å; K177-E1240 WeakPolarHBondContact CE-OE1 3.44Å; K177-E1240 IonicContact NZ-OE1 2.68Å; K177-E1240 PolarHBondContact NZ-OE1 3.24Å |
| 178 | V | 49.1 | Very low | 68.4 | Low | 73 Ų | 73 | 65.6 Ų | 65.6 | 44% | 0.442 | 32% | 0.317 | S | S | . | . | trans | -123.6 | 98.8 | -174.5 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | Q180 K181 | V178-Q180 HydrophobicContact CG1-CB 3.8Å; V178-Q180 PolarHBondContact O-N 3Å; V178-K181 HydrophobicContact CG1-CG 4.4Å; V178-K181 PolarHBondContact O-N 3.18Å | ||
| 179 | E | 50 | Low | 68.4 | Low | 188 Ų | 188 | 66.3 Ų | 66.3 | 88% | 0.879 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -16 | 172.1 | -67.5 | -173.5 | 152.3 | 0 | 0 | 113.1 | ||
| 180 | Q | 49.1 | Very low | 68.6 | Low | 173 Ų | 173 | 69.4 Ų | 69.4 | 81% | 0.808 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -8 | -173.4 | -67.8 | -172.7 | -16.3 | 0 | 0 | 116.6 | V178 | V178-Q180 HydrophobicContact CG1-CB 3.8Å; V178-Q180 PolarHBondContact O-N 3Å |
| 181 | K | 53 | Low | 68.9 | Low | 80 Ų | 80 | 70.9 Ų | 70.9 | 35% | 0.348 | 34% | 0.343 | S | S | . | . | trans | -109.8 | 39.8 | -176.3 | -67.8 | -173.9 | -178.8 | 173.2 | 0 | 114.4 | V178 M183 W184 S1163 | V178-K181 HydrophobicContact CG1-CG 4.4Å; V178-K181 PolarHBondContact O-N 3.18Å; K181-M183 VanDerWaalsContact C-N 3.25Å; K181-M183 PolarHBondContact O-N 2.97Å; K181-W184 HydrophobicContact CB-CZ3 4.44Å; K181-W184 HydrophobicContact CD-CH2 3.69Å; K181-W184 HydrophobicContact CD-CZ2 4.03Å; K181-W184 HydrophobicContact CD-CZ3 4.31Å; K181-S1163 PolarHBondContact NZ-O 3.3Å | ||
| 182 | T | 55.7 | Low | 69 | Low | 61 Ų | 61 | 70.8 Ų | 70.8 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -8.6 | 173.6 | 48.2 | 0 | 0 | 0 | 0 | 114.6 | T285 | T182-T285 HydrophobicContact CG2-CG2 3.95Š|
| 183 | M | 68 | Low | 69.3 | Low | 148 Ų | 148 | 72.1 Ų | 72.1 | 73% | 0.729 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -71.6 | -33.2 | -172.4 | -77.7 | -158.4 | -155.1 | 0 | 0 | 114.8 | K181 K186 L187 | K181-M183 VanDerWaalsContact C-N 3.25Å; K181-M183 PolarHBondContact O-N 2.97Å; M183-K186 PolarHBondContact O-N 2.94Å; M183-L187 VanDerWaalsContact O-CB 3.29Å; M183-L187 WeakPolarHBondContact O-CB 3.44Å; M183-L187 PolarHBondContact O-N 3.4Å |
| 184 | W | 76.1 | Confident | 69.7 | Low | 41 Ų | 41 | 72.1 Ų | 72.1 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.8 | -43 | -169.2 | -57.4 | -40.1 | 0 | 0 | 0 | 113.6 | F135 M138 F142 A171 K181 K186 L187 C188 | F135-W184 AromaticContact CE2-CH2 3.89Å; F135-W184 HydrophobicContact CE2-CH2 3.89Å; F135-W184 AromaticContact CE2-CZ3 3.9Å; F135-W184 HydrophobicContact CE2-CZ3 3.9Å; F135-W184 AromaticContact CZ-CH2 3.88Å; F135-W184 HydrophobicContact CZ-CH2 3.88Å; F135-W184 HydrophobicContact CZ-CZ3 4.17Å; M138-W184 HydrophobicContact CG-CH2 4.39Å; M138-W184 HydrophobicContact CG-CZ2 4.39Å; M138-W184 HydrophobicContact SD-CD2 4.29Å; M138-W184 HydrophobicContact SD-CE3 3.79Å; M138-W184 HydrophobicContact SD-CH2 3.56Å; M138-W184 VanDerWaalsContact SD-CH2 3.56Å; M138-W184 HydrophobicContact SD-CZ2 4.1Å; M138-W184 HydrophobicContact SD-CZ3 3.41Å; M138-W184 WeakPolarHBondContact SD-CZ3 3.42Å; F142-W184 HydrophobicContact CD2-CB 4.41Å; F142-W184 AromaticContact CD2-CD1 3.82Å; F142-W184 HydrophobicContact CD2-CD2 4.47Å; F142-W184 HydrophobicContact CD2-CG 4.01Å; F142-W184 HydrophobicContact CE2-CB 3.85Å; F142-W184 AromaticContact CE2-CD1 3.96Å; F142-W184 AromaticContact CE2-CD2 3.97Å; F142-W184 HydrophobicContact CE2-CD2 3.97Å; F142-W184 HydrophobicContact CE2-CE3 4.49Å; F142-W184 AromaticContact CE2-CG 3.67Å; F142-W184 HydrophobicContact CE2-CG 3.67Å; F142-W184 HydrophobicContact CZ-CB 3.98Å; F142-W184 HydrophobicContact CZ-CG 4.32Å; A171-W184 HydrophobicContact CB-CE3 4.3Å; A171-W184 HydrophobicContact CB-CZ3 4.38Å; K181-W184 HydrophobicContact CB-CZ3 4.44Å; K181-W184 HydrophobicContact CD-CH2 3.69Å; K181-W184 HydrophobicContact CD-CZ2 4.03Å; K181-W184 HydrophobicContact CD-CZ3 4.31Å; W184-K186 VanDerWaalsContact C-N 3.31Å; W184-K186 PolarHBondContact O-N 2.77Å; W184-L187 WeakPolarHBondContact O-CB 3.29Å; W184-L187 PolarHBondContact O-N 2.91Å; W184-C188 PolarHBondContact O-N 3.29Å; W184-C188 PolarHBondContact O-SG 2.96Å |
| 185 | Y | 79.6 | Confident | 70 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 176.2 | -61.4 | -80.1 | 0 | 0 | 0 | 112.2 | L168 E175 Y189 L221 C286 | L168-Y185 HydrophobicContact CD2-CD1 4.02Å; L168-Y185 HydrophobicContact CD2-CE1 3.75Å; E175-Y185 WeakPolarHBondContact OE1-CE2 3.32Å; E175-Y185 PolarHBondContact OE1-OH 3.21Å; Y185-Y189 WeakPolarHBondContact O-CB 3.37Å; Y185-Y189 PolarHBondContact O-N 3.31Å; Y185-L221 HydrophobicContact CD1-CD2 3.92Å; Y185-C286 HydrophobicContact CD1-CB 3.65Å; Y185-C286 VanDerWaalsContact CD1-SG 3.58Å; Y185-C286 HydrophobicContact CE1-CB 3.78Å; Y185-C286 HydrophobicContact CG-CB 4.06Å |
| 186 | K | 77.3 | Confident | 70.4 | Confident | 106 Ų | 106 | 69.5 Ų | 69.5 | 46% | 0.461 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 174.4 | -165.8 | 179.9 | 173.8 | 179.3 | 0 | 110.9 | M183 W184 C188 Y189 D190 | M183-K186 PolarHBondContact O-N 2.94Å; W184-K186 VanDerWaalsContact C-N 3.31Å; W184-K186 PolarHBondContact O-N 2.77Å; K186-C188 VanDerWaalsContact C-N 3.34Å; K186-C188 PolarHBondContact O-N 2.94Å; K186-Y189 PolarHBondContact O-N 3.19Å; K186-Y189 VanDerWaalsContact O-N 3.12Å; K186-D190 WeakPolarHBondContact O-CB 3.47Å; K186-D190 PolarHBondContact O-N 3.41Å |
| 187 | L | 83.1 | Confident | 71.2 | Confident | 67 Ų | 67 | 65.5 Ų | 65.5 | 35% | 0.351 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 176.7 | -168 | 80 | 0 | 0 | 0 | 111.4 | F142 F146 M183 W184 Y189 D190 Q191 | F142-L187 HydrophobicContact CB-CD2 4.3Å; F146-L187 HydrophobicContact CE2-CD2 3.67Å; F146-L187 HydrophobicContact CE2-CG 4.05Å; F146-L187 HydrophobicContact CZ-CD2 4.26Å; F146-L187 HydrophobicContact CZ-CG 4.42Å; M183-L187 VanDerWaalsContact O-CB 3.29Å; M183-L187 WeakPolarHBondContact O-CB 3.44Å; M183-L187 PolarHBondContact O-N 3.4Å; W184-L187 WeakPolarHBondContact O-CB 3.29Å; W184-L187 PolarHBondContact O-N 2.91Å; L187-Y189 PolarHBondContact O-N 3.22Å; L187-D190 PolarHBondContact O-N 2.85Å; L187-Q191 WeakPolarHBondContact O-CB 3.37Å; L187-Q191 WeakPolarHBondContact O-CG 3.49Å; L187-Q191 PolarHBondContact O-N 3.37Å |
| 188 | C | 82.9 | Confident | 71.8 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 174.4 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | W184 K186 A192 I217 L221 | W184-C188 PolarHBondContact O-N 3.29Å; W184-C188 PolarHBondContact O-SG 2.96Å; K186-C188 VanDerWaalsContact C-N 3.34Å; K186-C188 PolarHBondContact O-N 2.94Å; C188-A192 PolarHBondContact O-N 3.37Å; C188-I217 HydrophobicContact CB-CG2 4.1Å; C188-I217 WeakPolarHBondContact O-CG2 3.09Å; C188-L221 HydrophobicContact CB-CD1 4.21Å; C188-L221 HydrophobicContact CB-CD2 4.13Å |
| 189 | Y | 83.9 | Confident | 72.3 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.4 | -47.5 | 178 | -175.8 | -102.6 | 0 | 0 | 0 | 111.8 | Y185 K186 L187 Q191 A192 V193 L221 L290 C293 M297 | Y185-Y189 WeakPolarHBondContact O-CB 3.37Å; Y185-Y189 PolarHBondContact O-N 3.31Å; K186-Y189 PolarHBondContact O-N 3.19Å; K186-Y189 VanDerWaalsContact O-N 3.12Å; L187-Y189 PolarHBondContact O-N 3.22Å; Y189-Q191 VanDerWaalsContact C-N 3.32Å; Y189-Q191 PolarHBondContact O-N 3.17Å; Y189-A192 WeakPolarHBondContact O-CB 3.15Å; Y189-A192 PolarHBondContact O-N 2.86Å; Y189-A192 VanDerWaalsContact O-N 3.07Å; Y189-V193 HydrophobicContact CD1-CG2 4.16Å; Y189-V193 HydrophobicContact CE1-CG2 3.73Å; Y189-V193 HydrophobicContact CE2-CG2 4.4Å; Y189-V193 WeakPolarHBondContact O-CG2 3.5Å; Y189-V193 PolarHBondContact O-N 3.42Å; Y189-L221 HydrophobicContact CD2-CD1 4.48Å; Y189-L290 HydrophobicContact CD2-CD2 4.43Å; Y189-C293 HydrophobicContact CE1-CB 3.85Å; Y189-C293 HydrophobicContact CE2-CB 4.28Å; Y189-M297 HydrophobicContact CD2-SD 4.5Å; Y189-M297 HydrophobicContact CE2-CG 3.41Å; Y189-M297 VanDerWaalsContact CE2-CG 3.41Å; Y189-M297 HydrophobicContact CE2-SD 3.83Å |
| 190 | D | 83.4 | Confident | 72.7 | Confident | 77 Ų | 77 | 60.2 Ų | 60.2 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 178.9 | -66.9 | -16.8 | 0 | 0 | 0 | 110.7 | K186 L187 A192 V193 E194 | K186-D190 WeakPolarHBondContact O-CB 3.47Å; K186-D190 PolarHBondContact O-N 3.41Å; L187-D190 PolarHBondContact O-N 2.85Å; D190-A192 PolarHBondContact O-N 3.18Å; D190-V193 PolarHBondContact O-N 3.44Å; D190-E194 WeakPolarHBondContact O-CB 3.28Å; D190-E194 PolarHBondContact O-N 3.48Å |
| 191 | Q | 82.9 | Confident | 73 | Confident | 36 Ų | 36 | 55.4 Ų | 55.4 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 173.2 | -78 | -61.2 | -46.3 | 0 | 0 | 112.9 | F146 L187 Y189 E194 C195 | F146-Q191 HydrophobicContact CB-CG 4.49Å; F146-Q191 HydrophobicContact CD1-CB 4.05Å; F146-Q191 HydrophobicContact CD1-CG 4.03Å; F146-Q191 HydrophobicContact CD2-CG 3.92Å; F146-Q191 HydrophobicContact CE1-CB 4.15Å; F146-Q191 HydrophobicContact CE1-CG 4.21Å; F146-Q191 HydrophobicContact CE2-CG 4.11Å; F146-Q191 HydrophobicContact CG-CB 4.4Å; F146-Q191 HydrophobicContact CG-CG 3.89Å; F146-Q191 HydrophobicContact CZ-CG 4.25Å; L187-Q191 WeakPolarHBondContact O-CB 3.37Å; L187-Q191 WeakPolarHBondContact O-CG 3.49Å; L187-Q191 PolarHBondContact O-N 3.37Å; Y189-Q191 VanDerWaalsContact C-N 3.32Å; Y189-Q191 PolarHBondContact O-N 3.17Å; Q191-E194 PolarHBondContact NE2-OE2 3.4Å; Q191-E194 PolarHBondContact O-N 3.11Å; Q191-E194 PolarHBondContact OE1-OE2 3.41Å; Q191-C195 PolarHBondContact O-N 2.93Å; Q191-C195 PolarHBondContact O-SG 2.6Å |
| 192 | A | 81.7 | Confident | 72.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C188 Y189 D190 C195 F196 A214 I217 I218 | C188-A192 PolarHBondContact O-N 3.37Å; Y189-A192 WeakPolarHBondContact O-CB 3.15Å; Y189-A192 PolarHBondContact O-N 2.86Å; Y189-A192 VanDerWaalsContact O-N 3.07Å; D190-A192 PolarHBondContact O-N 3.18Å; A192-C195 PolarHBondContact O-N 3.04Å; A192-F196 WeakPolarHBondContact O-CD2 3.13Å; A192-F196 PolarHBondContact O-N 3.34Å; A192-F196 VanDerWaalsContact O-N 3.17Å; A192-A214 WeakPolarHBondContact O-CB 3.47Å; A192-I217 HydrophobicContact CB-CB 4.09Å; A192-I217 HydrophobicContact CB-CD1 4.45Å; A192-I217 HydrophobicContact CB-CG2 4Å; A192-I218 HydrophobicContact CB-CG1 4.2Å |
| 193 | V | 81.9 | Confident | 72.6 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 22% | 0.218 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64 | -44.3 | 175.5 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | Y189 D190 C195 F196 T197 | Y189-V193 HydrophobicContact CD1-CG2 4.16Å; Y189-V193 HydrophobicContact CE1-CG2 3.73Å; Y189-V193 HydrophobicContact CE2-CG2 4.4Å; Y189-V193 WeakPolarHBondContact O-CG2 3.5Å; Y189-V193 PolarHBondContact O-N 3.42Å; D190-V193 PolarHBondContact O-N 3.44Å; V193-C195 VanDerWaalsContact C-N 3.3Å; V193-C195 PolarHBondContact O-N 3.16Å; V193-F196 WeakPolarHBondContact O-CB 3.39Å; V193-F196 PolarHBondContact O-N 3.39Å; V193-T197 PolarHBondContact O-N 3.44Å; V193-T197 PolarHBondContact O-OG1 3.02Å |
| 194 | E | 80.9 | Confident | 72.1 | Confident | 77 Ų | 77 | 59.7 Ų | 59.7 | 36% | 0.36 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.2 | -44.6 | 175.9 | -168.3 | -177 | 173.5 | 0 | 0 | 111.3 | D190 Q191 F196 T197 D198 | D190-E194 WeakPolarHBondContact O-CB 3.28Å; D190-E194 PolarHBondContact O-N 3.48Å; Q191-E194 PolarHBondContact NE2-OE2 3.4Å; Q191-E194 PolarHBondContact O-N 3.11Å; Q191-E194 PolarHBondContact OE1-OE2 3.41Å; E194-F196 VanDerWaalsContact C-N 3.32Å; E194-F196 PolarHBondContact O-N 3.13Å; E194-T197 VanDerWaalsContact CA-OG1 3.27Å; E194-T197 WeakPolarHBondContact CA-OG1 3.42Å; E194-T197 PolarHBondContact O-N 3.44Å; E194-T197 PolarHBondContact O-OG1 3.38Å; E194-D198 WeakPolarHBondContact O-CB 3.29Å; E194-D198 PolarHBondContact O-N 3.16Å |
| 195 | C | 75.3 | Confident | 71 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.02 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.3 | -36 | 175.9 | -66.9 | 0 | 0 | 0 | 0 | 112.9 | Q191 A192 V193 A199 A214 | Q191-C195 PolarHBondContact O-N 2.93Å; Q191-C195 PolarHBondContact O-SG 2.6Å; A192-C195 PolarHBondContact O-N 3.04Å; V193-C195 VanDerWaalsContact C-N 3.3Å; V193-C195 PolarHBondContact O-N 3.16Å; C195-A199 PolarHBondContact O-N 3.47Å; C195-A214 HydrophobicContact CB-CB 3.77Å |
| 196 | F | 74.6 | Confident | 69.9 | Low | 19 Ų | 19 | 64.2 Ų | 64.2 | 8% | 0.083 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.3 | -32.5 | 172.6 | -73.7 | -61.2 | 0 | 0 | 0 | 112.8 | A192 V193 E194 V211 A214 L215 I218 H300 C304 | A192-F196 WeakPolarHBondContact O-CD2 3.13Å; A192-F196 PolarHBondContact O-N 3.34Å; A192-F196 VanDerWaalsContact O-N 3.17Å; V193-F196 WeakPolarHBondContact O-CB 3.39Å; V193-F196 PolarHBondContact O-N 3.39Å; E194-F196 VanDerWaalsContact C-N 3.32Å; E194-F196 PolarHBondContact O-N 3.13Å; F196-V211 HydrophobicContact CE1-CG1 4.47Å; F196-A214 HydrophobicContact CD1-CB 3.95Å; F196-A214 HydrophobicContact CD2-CB 3.74Å; F196-A214 HydrophobicContact CE1-CB 3.68Å; F196-A214 HydrophobicContact CE2-CB 3.45Å; F196-A214 VanDerWaalsContact CE2-CB 3.45Å; F196-A214 HydrophobicContact CG-CB 3.97Å; F196-A214 HydrophobicContact CZ-CB 3.43Å; F196-A214 VanDerWaalsContact CZ-CB 3.43Å; F196-L215 HydrophobicContact CE1-CD2 4.42Å; F196-L215 HydrophobicContact CE1-CG 4.37Å; F196-L215 HydrophobicContact CZ-CD2 4.06Å; F196-L215 HydrophobicContact CZ-CG 4.24Å; F196-I218 HydrophobicContact CE2-CD1 3.59Å; F196-I218 HydrophobicContact CZ-CD1 4.11Å; F196-H300 HydrophobicContact CD2-CB 4.23Å; F196-H300 HydrophobicContact CE2-CB 4.25Å; F196-C304 WeakPolarHBondContact CE1-SG 3.41Å |
| 197 | T | 73.5 | Confident | 69.3 | Low | 63 Ų | 63 | 66.5 Ų | 66.5 | 39% | 0.387 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -74.9 | -41.6 | 177.5 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | V193 E194 A199 R200 | V193-T197 PolarHBondContact O-N 3.44Å; V193-T197 PolarHBondContact O-OG1 3.02Å; E194-T197 VanDerWaalsContact CA-OG1 3.27Å; E194-T197 WeakPolarHBondContact CA-OG1 3.42Å; E194-T197 PolarHBondContact O-N 3.44Å; E194-T197 PolarHBondContact O-OG1 3.38Å; T197-A199 PolarHBondContact O-N 3Å; T197-R200 VanDerWaalsContact O-CB 3.28Å; T197-R200 WeakPolarHBondContact O-CB 3.28Å; T197-R200 WeakPolarHBondContact O-CG 3.34Å; T197-R200 PolarHBondContact O-N 3.11Å |
| 198 | D | 65.8 | Low | 68.7 | Low | 62 Ų | 62 | 66 Ų | 66 | 33% | 0.332 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.4 | -31.3 | 178.1 | -77.5 | -8.4 | 0 | 0 | 0 | 112.7 | E194 R200 S201 | E194-D198 WeakPolarHBondContact O-CB 3.29Å; E194-D198 PolarHBondContact O-N 3.16Å; D198-R200 PolarHBondContact O-N 3.3Å; D198-S201 WeakPolarHBondContact O-CB 3.11Å; D198-S201 PolarHBondContact O-N 3.44Å; D198-S201 PolarHBondContact O-OG 3.34Å |
| 199 | A | 59.2 | Low | 68.2 | Low | 8 Ų | 8 | 67.9 Ų | 67.9 | 7% | 0.066 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -9.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | C195 T197 S201 R207 R210 V211 | C195-A199 PolarHBondContact O-N 3.47Å; T197-A199 PolarHBondContact O-N 3Å; A199-S201 VanDerWaalsContact C-N 3.32Å; A199-R207 HydrophobicContact CB-CG 4.23Å; A199-R207 WeakPolarHBondContact O-CD 3.31Å; A199-R207 VanDerWaalsContact O-CG 3.3Å; A199-R207 WeakPolarHBondContact O-CG 3.4Å; A199-R210 HydrophobicContact CB-CB 4.43Å; A199-V211 HydrophobicContact CB-CG2 3.91Å |
| 200 | R | 59.5 | Low | 67.9 | Low | 186 Ų | 186 | 69.8 Ų | 69.8 | 70% | 0.702 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -9.6 | 172.3 | -63.7 | -178.5 | 176.6 | 177.9 | 0.4 | 113.6 | T197 D198 | T197-R200 VanDerWaalsContact O-CB 3.28Å; T197-R200 WeakPolarHBondContact O-CB 3.28Å; T197-R200 WeakPolarHBondContact O-CG 3.34Å; T197-R200 PolarHBondContact O-N 3.11Å; D198-R200 PolarHBondContact O-N 3.3Å |
| 201 | S | 54.8 | Low | 67.7 | Low | 72 Ų | 72 | 66.7 Ų | 66.7 | 50% | 0.503 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -76.6 | 154.7 | 177 | 68.1 | 0 | 0 | 0 | 0 | 113 | D198 A199 Y203 | D198-S201 WeakPolarHBondContact O-CB 3.11Å; D198-S201 PolarHBondContact O-N 3.44Å; D198-S201 PolarHBondContact O-OG 3.34Å; A199-S201 VanDerWaalsContact C-N 3.32Å; S201-Y203 VanDerWaalsContact C-N 3.31Å; S201-Y203 PolarHBondContact O-N 2.94Å |
| 202 | A | 47.4 | Very low | 67.8 | Low | 102 Ų | 102 | 65 Ų | 65 | 84% | 0.843 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -70.6 | 7 | -153.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 203 | Y | 53.5 | Low | 67.8 | Low | 180 Ų | 180 | 65.1 Ų | 65.1 | 71% | 0.706 | 35% | 0.346 | S | S | * | . | trans | -108.6 | 118.5 | -177.3 | -72.2 | -80.6 | 0 | 0 | 0 | 113.4 | S201 A205 R207 | S201-Y203 VanDerWaalsContact C-N 3.31Å; S201-Y203 PolarHBondContact O-N 2.94Å; Y203-A205 PolarHBondContact O-N 3.04Å; Y203-R207 WeakPolarHBondContact O-CB 3.44Å; Y203-R207 PolarHBondContact O-N 3.47Å; Y203-R207 VanDerWaalsContact O-N 3.12Å | ||
| 204 | S | 55.9 | Low | 67.8 | Low | 97 Ų | 97 | 63.4 Ų | 63.4 | 68% | 0.678 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.9 | -33.6 | -174.4 | 178 | 0 | 0 | 0 | 0 | 115.3 | ||
| 205 | A | 53.5 | Low | 68 | Low | 72 Ų | 72 | 59.8 Ų | 59.8 | 60% | 0.595 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -78 | -47 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y203 R207 E208 D209 | Y203-A205 PolarHBondContact O-N 3.04Å; A205-R207 PolarHBondContact O-N 3.32Å; A205-E208 PolarHBondContact O-N 2.97Å; A205-D209 PolarHBondContact O-N 3.48Å |
| 206 | V | 55.9 | Low | 68.5 | Low | 69 Ų | 69 | 60.1 Ų | 60.1 | 42% | 0.418 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.1 | -32.2 | 175.5 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | D209 R210 | V206-D209 PolarHBondContact O-N 3.38Å; V206-R210 HydrophobicContact CG1-CG 4.17Å; V206-R210 WeakPolarHBondContact O-CG 3.41Å; V206-R210 PolarHBondContact O-N 2.68Å; V206-R210 VanDerWaalsContact O-N 3.08Å |
| 207 | R | 65.5 | Low | 69.1 | Low | 155 Ų | 155 | 59.3 Ų | 59.3 | 59% | 0.585 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.2 | -42 | 177.3 | 178 | 172 | 176.2 | -165.8 | -1.7 | 113.6 | A199 Y203 A205 V211 | A199-R207 HydrophobicContact CB-CG 4.23Å; A199-R207 WeakPolarHBondContact O-CD 3.31Å; A199-R207 VanDerWaalsContact O-CG 3.3Å; A199-R207 WeakPolarHBondContact O-CG 3.4Å; Y203-R207 WeakPolarHBondContact O-CB 3.44Å; Y203-R207 PolarHBondContact O-N 3.47Å; Y203-R207 VanDerWaalsContact O-N 3.12Å; A205-R207 PolarHBondContact O-N 3.32Å; R207-V211 VanDerWaalsContact O-CG2 3.22Å; R207-V211 WeakPolarHBondContact O-CG2 3.48Å; R207-V211 PolarHBondContact O-N 3.01Å |
| 208 | E | 70 | Confident | 69.7 | Low | 56 Ų | 56 | 56.5 Ų | 56.5 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -75.8 | -29.7 | -179.8 | -66.9 | -157.9 | 155.6 | 0 | 0 | 112 | A205 N212 V307 T309 N312 | A205-E208 PolarHBondContact O-N 2.97Å; E208-N212 PolarHBondContact O-N 3.03Å; E208-V307 HydrophobicContact CG-CG1 4.43Å; E208-T309 WeakPolarHBondContact OE2-CB 3.33Å; E208-T309 WeakPolarHBondContact OE2-CG2 3.38Å; E208-T309 PolarHBondContact OE2-OG1 3.16Å; E208-N312 PolarHBondContact O-ND2 2.96Å |
| 209 | D | 73.2 | Confident | 70.8 | Confident | 39 Ų | 39 | 54 Ų | 54 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.3 | -51.9 | 176.1 | -68.7 | -31 | 0 | 0 | 0 | 111.5 | R157 A205 V206 V211 N212 S213 | R157-D209 IonicContact CZ-OD1 3.72Å; R157-D209 PolarHBondContact NH1-O 3.33Å; R157-D209 IonicContact NH1-OD1 3.62Å; R157-D209 IonicContact NH2-OD1 2.72Å; R157-D209 PolarHBondContact NH2-OD1 3.36Å; A205-D209 PolarHBondContact O-N 3.48Å; V206-D209 PolarHBondContact O-N 3.38Å; D209-V211 PolarHBondContact O-N 3.01Å; D209-N212 VanDerWaalsContact O-CB 3.31Å; D209-N212 WeakPolarHBondContact O-CB 3.33Å; D209-N212 PolarHBondContact O-N 3.36Å; D209-S213 PolarHBondContact O-N 3.28Å; D209-S213 VanDerWaalsContact O-N 3.14Å; D209-S213 PolarHBondContact O-OG 2.95Å |
| 210 | R | 77.8 | Confident | 72 | Confident | 57 Ų | 57 | 53.9 Ų | 53.9 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -32 | -178.7 | -62 | -67.2 | 167.7 | 133.6 | -8.4 | 113 | K150 A199 V206 A214 | K150-R210 VanDerWaalsContact CG-NH1 3.34Å; A199-R210 HydrophobicContact CB-CB 4.43Å; V206-R210 HydrophobicContact CG1-CG 4.17Å; V206-R210 WeakPolarHBondContact O-CG 3.41Å; V206-R210 PolarHBondContact O-N 2.68Å; V206-R210 VanDerWaalsContact O-N 3.08Å; R210-A214 WeakPolarHBondContact O-CB 3.36Å; R210-A214 PolarHBondContact O-N 3.48Å; R210-A214 VanDerWaalsContact O-N 3.08Å |
| 211 | V | 79.2 | Confident | 73.3 | Confident | 11 Ų | 11 | 45.1 Ų | 45.1 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 173.5 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | F196 A199 R207 D209 S213 A214 L215 C304 V307 | F196-V211 HydrophobicContact CE1-CG1 4.47Å; A199-V211 HydrophobicContact CB-CG2 3.91Å; R207-V211 VanDerWaalsContact O-CG2 3.22Å; R207-V211 WeakPolarHBondContact O-CG2 3.48Å; R207-V211 PolarHBondContact O-N 3.01Å; D209-V211 PolarHBondContact O-N 3.01Å; V211-S213 VanDerWaalsContact C-N 3.34Å; V211-S213 PolarHBondContact O-N 3.37Å; V211-A214 PolarHBondContact O-N 3.29Å; V211-L215 HydrophobicContact CG1-CD1 3.82Å; V211-L215 HydrophobicContact CG1-CG 4.31Å; V211-L215 WeakPolarHBondContact O-CB 3.44Å; V211-L215 VanDerWaalsContact O-CG 3.3Å; V211-L215 WeakPolarHBondContact O-CG 3.45Å; V211-L215 PolarHBondContact O-N 3.37Å; V211-C304 HydrophobicContact CG1-CB 4.29Å; V211-V307 HydrophobicContact CG1-CG2 4.27Å |
| 212 | N | 84.9 | Confident | 74.7 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.011 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.6 | -49.1 | 175.6 | -172.3 | -102.1 | 0 | 0 | 0 | 111.1 | E208 D209 A214 L215 L216 N312 I315 | E208-N212 PolarHBondContact O-N 3.03Å; D209-N212 VanDerWaalsContact O-CB 3.31Å; D209-N212 WeakPolarHBondContact O-CB 3.33Å; D209-N212 PolarHBondContact O-N 3.36Å; N212-A214 PolarHBondContact O-N 3.18Å; N212-L215 PolarHBondContact O-N 2.99Å; N212-L216 WeakPolarHBondContact O-CB 3.43Å; N212-L216 VanDerWaalsContact O-CG 3.3Å; N212-L216 WeakPolarHBondContact O-CG 3.26Å; N212-L216 PolarHBondContact O-N 3.01Å; N212-L216 VanDerWaalsContact OD1-CD1 3.29Å; N212-L216 WeakPolarHBondContact OD1-CD1 3.43Å; N212-N312 WeakPolarHBondContact CA-OD1 3.07Å; N212-N312 WeakPolarHBondContact CB-OD1 3.24Å; N212-N312 PolarHBondContact ND2-OD1 3.02Å; N212-I315 WeakPolarHBondContact ND2-CD1 3.5Å |
| 213 | S | 81 | Confident | 76.3 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.2 | -44.1 | -178.9 | -50.4 | 0 | 0 | 0 | 0 | 111.8 | L149 R157 D209 V211 L216 I217 | L149-S213 WeakPolarHBondContact O-CB 3.32Å; L149-S213 PolarHBondContact O-OG 3.07Å; R157-S213 WeakPolarHBondContact CD-OG 3.48Å; R157-S213 PolarHBondContact NH1-OG 2.95Å; D209-S213 PolarHBondContact O-N 3.28Å; D209-S213 VanDerWaalsContact O-N 3.14Å; D209-S213 PolarHBondContact O-OG 2.95Å; V211-S213 VanDerWaalsContact C-N 3.34Å; V211-S213 PolarHBondContact O-N 3.37Å; S213-L216 PolarHBondContact O-N 3.49Å; S213-I217 WeakPolarHBondContact O-CG1 3.49Å; S213-I217 PolarHBondContact O-N 3.43Å; S213-I217 VanDerWaalsContact O-N 3.08Å |
| 214 | A | 83.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A192 C195 F196 R210 V211 N212 I217 I218 | A192-A214 WeakPolarHBondContact O-CB 3.47Å; C195-A214 HydrophobicContact CB-CB 3.77Å; F196-A214 HydrophobicContact CD1-CB 3.95Å; F196-A214 HydrophobicContact CD2-CB 3.74Å; F196-A214 HydrophobicContact CE1-CB 3.68Å; F196-A214 HydrophobicContact CE2-CB 3.45Å; F196-A214 VanDerWaalsContact CE2-CB 3.45Å; F196-A214 HydrophobicContact CG-CB 3.97Å; F196-A214 HydrophobicContact CZ-CB 3.43Å; F196-A214 VanDerWaalsContact CZ-CB 3.43Å; R210-A214 WeakPolarHBondContact O-CB 3.36Å; R210-A214 PolarHBondContact O-N 3.48Å; R210-A214 VanDerWaalsContact O-N 3.08Å; V211-A214 PolarHBondContact O-N 3.29Å; N212-A214 PolarHBondContact O-N 3.18Å; A214-I217 PolarHBondContact O-N 3.27Å; A214-I218 PolarHBondContact O-N 3.16Å; A214-I218 VanDerWaalsContact O-N 3.1Å |
| 215 | L | 84.4 | Confident | 78.8 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.1 | -37.9 | 177.3 | -71.3 | 171.5 | 0 | 0 | 0 | 112.1 | F196 V211 N212 N219 V301 C304 I315 L316 | F196-L215 HydrophobicContact CE1-CD2 4.42Å; F196-L215 HydrophobicContact CE1-CG 4.37Å; F196-L215 HydrophobicContact CZ-CD2 4.06Å; F196-L215 HydrophobicContact CZ-CG 4.24Å; V211-L215 HydrophobicContact CG1-CD1 3.82Å; V211-L215 HydrophobicContact CG1-CG 4.31Å; V211-L215 WeakPolarHBondContact O-CB 3.44Å; V211-L215 VanDerWaalsContact O-CG 3.3Å; V211-L215 WeakPolarHBondContact O-CG 3.45Å; V211-L215 PolarHBondContact O-N 3.37Å; N212-L215 PolarHBondContact O-N 2.99Å; L215-N219 VanDerWaalsContact O-CB 3.25Å; L215-N219 WeakPolarHBondContact O-CB 3.4Å; L215-N219 PolarHBondContact O-N 3.32Å; L215-V301 HydrophobicContact CD2-CG2 4.26Å; L215-C304 HydrophobicContact CD1-CB 4.49Å; L215-I315 HydrophobicContact CB-CG2 3.65Å; L215-L316 HydrophobicContact CD1-CD1 3.99Å; L215-L316 HydrophobicContact CD2-CD1 3.82Å |
| 216 | L | 85.8 | Confident | 80.2 | Confident | 10 Ų | 10 | 23.4 Ų | 23.4 | 5% | 0.052 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 175.3 | -78.1 | 176.7 | 0 | 0 | 0 | 112 | R157 I161 N212 S213 N219 E220 I315 | R157-L216 HydrophobicContact CB-CD1 4.32Å; I161-L216 HydrophobicContact CB-CB 4.41Å; I161-L216 HydrophobicContact CD1-CB 3.89Å; I161-L216 HydrophobicContact CG1-CB 3.93Å; I161-L216 HydrophobicContact CG2-CD1 4.33Å; I161-L216 HydrophobicContact CG2-CD2 4.21Å; N212-L216 WeakPolarHBondContact O-CB 3.43Å; N212-L216 VanDerWaalsContact O-CG 3.3Å; N212-L216 WeakPolarHBondContact O-CG 3.26Å; N212-L216 PolarHBondContact O-N 3.01Å; N212-L216 VanDerWaalsContact OD1-CD1 3.29Å; N212-L216 WeakPolarHBondContact OD1-CD1 3.43Å; S213-L216 PolarHBondContact O-N 3.49Å; L216-N219 WeakPolarHBondContact O-CB 3.41Å; L216-N219 PolarHBondContact O-N 3.46Å; L216-E220 PolarHBondContact O-N 3.32Å; L216-I315 HydrophobicContact CD2-CD1 3.44Å; L216-I315 VanDerWaalsContact CD2-CD1 3.44Å; L216-I315 HydrophobicContact CD2-CG1 3.91Å; L216-I315 HydrophobicContact CD2-CG2 4.38Å; L216-I315 HydrophobicContact CG-CD1 3.9Å |
| 217 | I | 87.3 | Confident | 81.2 | Confident | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.015 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.4 | -47.5 | 177.7 | -63.4 | 165.2 | 0 | 0 | 0 | 111 | L149 I161 L164 C188 A192 S213 A214 N219 E220 L221 | L149-I217 HydrophobicContact CD1-CD1 4.14Å; L149-I217 HydrophobicContact CD1-CG1 4.15Å; I161-I217 HydrophobicContact CD1-CB 4.47Å; I161-I217 HydrophobicContact CD1-CG1 3.87Å; L164-I217 HydrophobicContact CD2-CG1 4.33Å; C188-I217 HydrophobicContact CB-CG2 4.1Å; C188-I217 WeakPolarHBondContact O-CG2 3.09Å; A192-I217 HydrophobicContact CB-CB 4.09Å; A192-I217 HydrophobicContact CB-CD1 4.45Å; A192-I217 HydrophobicContact CB-CG2 4Å; S213-I217 WeakPolarHBondContact O-CG1 3.49Å; S213-I217 PolarHBondContact O-N 3.43Å; S213-I217 VanDerWaalsContact O-N 3.08Å; A214-I217 PolarHBondContact O-N 3.27Å; I217-N219 PolarHBondContact O-N 2.89Å; I217-E220 PolarHBondContact O-N 2.86Å; I217-L221 HydrophobicContact CG2-CD1 4.14Å; I217-L221 HydrophobicContact CG2-CG 4.5Å; I217-L221 WeakPolarHBondContact O-CG 3.29Å; I217-L221 PolarHBondContact O-N 3.41Å |
| 218 | I | 86.7 | Confident | 81.6 | Confident | 3 Ų | 3 | 16.4 Ų | 16.4 | 2% | 0.015 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.6 | -40.5 | 176.4 | -77.7 | -177.7 | 0 | 0 | 0 | 111.4 | A192 F196 A214 E220 L221 L222 M297 T319 | A192-I218 HydrophobicContact CB-CG1 4.2Å; F196-I218 HydrophobicContact CE2-CD1 3.59Å; F196-I218 HydrophobicContact CZ-CD1 4.11Å; A214-I218 PolarHBondContact O-N 3.16Å; A214-I218 VanDerWaalsContact O-N 3.1Å; I218-E220 VanDerWaalsContact C-N 3.32Å; I218-E220 PolarHBondContact O-N 3.28Å; I218-L221 PolarHBondContact O-N 2.97Å; I218-L222 HydrophobicContact CG2-CD1 3.9Å; I218-L222 HydrophobicContact CG2-CG 4.5Å; I218-L222 WeakPolarHBondContact O-CG 3.48Å; I218-L222 PolarHBondContact O-N 2.89Å; I218-M297 HydrophobicContact CG1-CE 4.47Å; I218-M297 HydrophobicContact CG2-CE 3.64Å; I218-T319 HydrophobicContact CG2-CG2 4.08Å |
| 219 | N | 87.1 | Confident | 82.1 | Confident | 10 Ų | 10 | 15.1 Ų | 15.1 | 5% | 0.053 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | -179.9 | -169.9 | 64 | 0 | 0 | 0 | 112.3 | L215 L216 I217 R223 T319 R322 | L215-N219 VanDerWaalsContact O-CB 3.25Å; L215-N219 WeakPolarHBondContact O-CB 3.4Å; L215-N219 PolarHBondContact O-N 3.32Å; L216-N219 WeakPolarHBondContact O-CB 3.41Å; L216-N219 PolarHBondContact O-N 3.46Å; I217-N219 PolarHBondContact O-N 2.89Å; N219-R223 WeakPolarHBondContact O-CB 3.37Å; N219-R223 PolarHBondContact O-N 3.35Å; N219-R223 VanDerWaalsContact O-N 3.17Å; N219-T319 HydrophobicContact CB-CG2 3.56Å; N219-T319 WeakPolarHBondContact OD1-CG2 3.31Å; N219-R322 PolarHBondContact ND2-NH1 2.89Å; N219-R322 PolarHBondContact OD1-NH1 3.36Å |
| 220 | E | 85.5 | Confident | 82.3 | Confident | 6 Ų | 6 | 13.4 Ų | 13.4 | 3% | 0.028 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -73.5 | -36.8 | 178.5 | -65.6 | -50.6 | 137.6 | 0 | 0 | 113 | I161 R165 L168 L216 I217 I218 L222 R223 N224 | I161-E220 HydrophobicContact CD1-CG 4.27Å; I161-E220 HydrophobicContact CG1-CG 3.67Å; R165-E220 HydrophobicContact CB-CG 4.42Å; R165-E220 WeakPolarHBondContact CB-OE2 3.46Å; R165-E220 VanDerWaalsContact CG-OE2 3.3Å; R165-E220 WeakPolarHBondContact CG-OE2 3.46Å; R165-E220 IonicContact CZ-OE1 2.63Å; R165-E220 IonicContact CZ-OE2 3.53Å; R165-E220 VanDerWaalsContact NE-CD 3.32Å; R165-E220 IonicContact NE-OE1 3.68Å; R165-E220 PolarHBondContact NE-OE1 2.95Å; R165-E220 IonicContact NE-OE2 2.85Å; R165-E220 PolarHBondContact NE-OE2 3.41Å; R165-E220 IonicContact NH2-OE1 3.57Å; R165-E220 PolarHBondContact NH2-OE1 3.11Å; R165-E220 IonicContact NH2-OE2 3.61Å; L168-E220 HydrophobicContact CD1-CB 4.42Å; L216-E220 PolarHBondContact O-N 3.32Å; I217-E220 PolarHBondContact O-N 2.86Å; I218-E220 VanDerWaalsContact C-N 3.32Å; I218-E220 PolarHBondContact O-N 3.28Å; E220-L222 PolarHBondContact O-N 2.86Å; E220-R223 VanDerWaalsContact O-CB 3.32Å; E220-R223 WeakPolarHBondContact O-CB 3.37Å; E220-R223 PolarHBondContact O-N 3.32Å; E220-R223 VanDerWaalsContact O-N 3.16Å; E220-N224 PolarHBondContact O-N 2.85Å |
| 221 | L | 86.4 | Confident | 82 | Confident | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 174.6 | -71.1 | 174.1 | 0 | 0 | 0 | 111.4 | L168 Y185 C188 Y189 I217 I218 R223 N224 A225 L290 | L168-L221 HydrophobicContact CD1-CD2 4.39Å; Y185-L221 HydrophobicContact CD1-CD2 3.92Å; C188-L221 HydrophobicContact CB-CD1 4.21Å; C188-L221 HydrophobicContact CB-CD2 4.13Å; Y189-L221 HydrophobicContact CD2-CD1 4.48Å; I217-L221 HydrophobicContact CG2-CD1 4.14Å; I217-L221 HydrophobicContact CG2-CG 4.5Å; I217-L221 WeakPolarHBondContact O-CG 3.29Å; I217-L221 PolarHBondContact O-N 3.41Å; I218-L221 PolarHBondContact O-N 2.97Å; L221-R223 VanDerWaalsContact C-N 3.27Å; L221-R223 PolarHBondContact O-N 3.48Å; L221-N224 PolarHBondContact O-N 3.16Å; L221-A225 WeakPolarHBondContact O-CB 3.42Å; L221-A225 PolarHBondContact O-N 3.41Å; L221-A225 VanDerWaalsContact O-N 3.11Å; L221-L290 HydrophobicContact CB-CD1 4.12Å; L221-L290 HydrophobicContact CB-CD2 4.18Å; L221-L290 HydrophobicContact CD1-CD2 4.46Å; L221-L290 WeakPolarHBondContact O-CD1 3.41Å |
| 222 | L | 84.1 | Confident | 81.7 | Confident | 5 Ų | 5 | 18.1 Ų | 18.1 | 3% | 0.026 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.3 | -36.4 | 175.2 | -73.7 | 167.7 | 0 | 0 | 0 | 112.2 | I218 E220 A225 N226 L290 M297 R322 L323 F326 | I218-L222 HydrophobicContact CG2-CD1 3.9Å; I218-L222 HydrophobicContact CG2-CG 4.5Å; I218-L222 WeakPolarHBondContact O-CG 3.48Å; I218-L222 PolarHBondContact O-N 2.89Å; E220-L222 PolarHBondContact O-N 2.86Å; L222-A225 PolarHBondContact O-N 3.18Å; L222-N226 PolarHBondContact O-N 3.15Å; L222-L290 HydrophobicContact CD2-CD1 4.5Å; L222-M297 HydrophobicContact CD1-CE 4.13Å; L222-M297 HydrophobicContact CD2-CE 4Å; L222-M297 HydrophobicContact CG-CE 3.99Å; L222-R322 HydrophobicContact CB-CB 4.26Å; L222-R322 HydrophobicContact CD1-CB 4.23Å; L222-L323 HydrophobicContact CD1-CD2 3.78Å; L222-L323 HydrophobicContact CD1-CG 3.8Å; L222-L323 HydrophobicContact CD2-CD2 3.99Å; L222-F326 HydrophobicContact CD2-CB 4.28Å; L222-F326 HydrophobicContact CD2-CD2 4.31Å; L222-F326 HydrophobicContact CD2-CG 4.15Å |
| 223 | R | 82.1 | Confident | 81.1 | Confident | 28 Ų | 28 | 18.3 Ų | 18.3 | 11% | 0.106 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 178.7 | -159.1 | 177.8 | 175.3 | 165 | 5.4 | 111.9 | R165 N219 E220 L221 A225 E230 M280 | R165-R223 VanDerWaalsContact NH1-NH1 3.19Å; N219-R223 WeakPolarHBondContact O-CB 3.37Å; N219-R223 PolarHBondContact O-N 3.35Å; N219-R223 VanDerWaalsContact O-N 3.17Å; E220-R223 VanDerWaalsContact O-CB 3.32Å; E220-R223 WeakPolarHBondContact O-CB 3.37Å; E220-R223 PolarHBondContact O-N 3.32Å; E220-R223 VanDerWaalsContact O-N 3.16Å; L221-R223 VanDerWaalsContact C-N 3.27Å; L221-R223 PolarHBondContact O-N 3.48Å; R223-A225 VanDerWaalsContact C-N 3.3Å; R223-A225 PolarHBondContact O-N 2.8Å; R223-E230 HydrophobicContact CG-CB 4.33Å; R223-E230 VanDerWaalsContact CG-CD 3.5Å; R223-E230 HydrophobicContact CG-CG 3.57Å; R223-E230 IonicContact CZ-OE1 2.83Å; R223-E230 VanDerWaalsContact NE-CD 3.32Å; R223-E230 IonicContact NE-OE1 3.27Å; R223-E230 PolarHBondContact NE-OE1 3.47Å; R223-E230 IonicContact NH1-OE1 2.79Å; R223-E230 IonicContact NH2-OE1 3.68Å; R223-E230 PolarHBondContact NH2-OE1 3.45Å; R223-M280 HydrophobicContact CG-CE 4.47Å |
| 224 | N | 78.7 | Confident | 80.7 | Confident | 12 Ų | 12 | 19.9 Ų | 19.9 | 6% | 0.064 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -72.9 | -22.8 | 178.5 | -123.9 | 25.8 | 0 | 0 | 0 | 113.3 | L168 E220 L221 E282 S283 | L168-N224 VanDerWaalsContact C-ND2 3.34Å; L168-N224 PolarHBondContact O-ND2 3.28Å; E220-N224 PolarHBondContact O-N 2.85Å; L221-N224 PolarHBondContact O-N 3.16Å; N224-E282 WeakPolarHBondContact O-CA 3.27Å; N224-S283 PolarHBondContact O-N 3.08Å |
| 225 | A | 81.5 | Confident | 80 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -87 | -13.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L221 L222 R223 C286 R287 L290 F326 | L221-A225 WeakPolarHBondContact O-CB 3.42Å; L221-A225 PolarHBondContact O-N 3.41Å; L221-A225 VanDerWaalsContact O-N 3.11Å; L222-A225 PolarHBondContact O-N 3.18Å; R223-A225 VanDerWaalsContact C-N 3.3Å; R223-A225 PolarHBondContact O-N 2.8Å; A225-C286 HydrophobicContact CB-CB 4.48Å; A225-R287 HydrophobicContact CB-CB 4.19Å; A225-L290 HydrophobicContact CB-CD1 3.55Å; A225-F326 HydrophobicContact CB-CD2 4.38Å; A225-F326 HydrophobicContact CB-CE2 3.6Å; A225-F326 HydrophobicContact CB-CZ 4.37Å |
| 226 | N | 82.8 | Confident | 79.1 | Confident | 22 Ų | 22 | 21.4 Ų | 21.4 | 12% | 0.118 | 12% | 0.116 | C | C | . | . | trans | -142 | 76.8 | 178.6 | -170.3 | -4.7 | 0 | 0 | 0 | 112.3 | L222 A228 W229 E230 A325 F326 | L222-N226 PolarHBondContact O-N 3.15Å; N226-A228 VanDerWaalsContact C-N 3.31Å; N226-A228 PolarHBondContact O-N 3.24Å; N226-W229 HydrophobicContact CB-CB 4.49Å; N226-W229 WeakPolarHBondContact ND2-CB 3.49Å; N226-W229 PolarHBondContact O-N 2.9Å; N226-W229 PolarHBondContact OD1-N 3.41Å; N226-E230 PolarHBondContact O-N 3.46Å; N226-A325 PolarHBondContact ND2-O 3.26Å; N226-F326 HydrophobicContact CB-CD2 4.16Å | ||
| 227 | S | 77.2 | Confident | 78.1 | Confident | 18 Ų | 18 | 24 Ų | 24 | 13% | 0.126 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.7 | -31.4 | -177.7 | 74 | 0 | 0 | 0 | 0 | 113.7 | E230 K231 | S227-E230 PolarHBondContact O-N 3.01Å; S227-K231 PolarHBondContact O-N 2.68Å |
| 228 | A | 74.6 | Confident | 76.8 | Confident | 59 Ų | 59 | 26.8 Ų | 26.8 | 49% | 0.488 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -66.7 | -44.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N226 E230 T232 | N226-A228 VanDerWaalsContact C-N 3.31Å; N226-A228 PolarHBondContact O-N 3.24Å; A228-E230 VanDerWaalsContact C-N 3.33Å; A228-T232 PolarHBondContact O-N 3.26Å; A228-T232 PolarHBondContact O-OG1 3.2Å |
| 229 | W | 80 | Confident | 75.3 | Confident | 30 Ų | 30 | 30 Ų | 30 | 11% | 0.114 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 173.9 | 179.9 | -111.5 | 0 | 0 | 0 | 111.2 | N226 K231 T232 V233 A325 L362 L365 A366 | N226-W229 HydrophobicContact CB-CB 4.49Å; N226-W229 WeakPolarHBondContact ND2-CB 3.49Å; N226-W229 PolarHBondContact O-N 2.9Å; N226-W229 PolarHBondContact OD1-N 3.41Å; W229-K231 PolarHBondContact O-N 2.97Å; W229-T232 WeakPolarHBondContact O-CA 3.33Å; W229-T232 WeakPolarHBondContact O-CB 3.44Å; W229-T232 PolarHBondContact O-N 2.76Å; W229-T232 PolarHBondContact O-OG1 3.17Å; W229-V233 HydrophobicContact CD2-CG2 4.39Å; W229-V233 HydrophobicContact CG-CG2 4.44Å; W229-V233 HydrophobicContact CZ2-CG2 4.3Å; W229-V233 PolarHBondContact O-N 3.06Å; W229-A325 HydrophobicContact CB-CB 4.36Å; W229-A325 HydrophobicContact CD2-CB 3.38Å; W229-A325 VanDerWaalsContact CE2-CB 3.42Å; W229-A325 HydrophobicContact CE3-CB 3.94Å; W229-A325 HydrophobicContact CG-CB 3.56Å; W229-A325 HydrophobicContact CH2-CB 4.47Å; W229-A325 HydrophobicContact CZ2-CB 4Å; W229-A325 HydrophobicContact CZ3-CB 4.44Å; W229-L362 WeakPolarHBondContact CH2-O 3.46Å; W229-L362 HydrophobicContact CZ2-CB 4.22Å; W229-L362 HydrophobicContact CZ2-CD2 4.2Å; W229-L365 HydrophobicContact CH2-CB 4.03Å; W229-L365 HydrophobicContact CH2-CD2 3.98Å; W229-L365 HydrophobicContact CH2-CG 4.42Å; W229-L365 HydrophobicContact CZ3-CB 4.45Å; W229-L365 HydrophobicContact CZ3-CD2 3.88Å; W229-L365 HydrophobicContact CZ3-CG 4.4Å; W229-A366 HydrophobicContact CH2-CB 3.66Å; W229-A366 HydrophobicContact CZ2-CB 4.03Å; W229-A366 HydrophobicContact CZ3-CB 4.17Å |
| 230 | E | 77.8 | Confident | 73.7 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.6 | -34.7 | -176.5 | -164.8 | 66.5 | -164 | 0 | 0 | 112.9 | R223 N226 S227 A228 T232 V233 Q234 M280 R322 | R223-E230 HydrophobicContact CG-CB 4.33Å; R223-E230 VanDerWaalsContact CG-CD 3.5Å; R223-E230 HydrophobicContact CG-CG 3.57Å; R223-E230 IonicContact CZ-OE1 2.83Å; R223-E230 VanDerWaalsContact NE-CD 3.32Å; R223-E230 IonicContact NE-OE1 3.27Å; R223-E230 PolarHBondContact NE-OE1 3.47Å; R223-E230 IonicContact NH1-OE1 2.79Å; R223-E230 IonicContact NH2-OE1 3.68Å; R223-E230 PolarHBondContact NH2-OE1 3.45Å; N226-E230 PolarHBondContact O-N 3.46Å; S227-E230 PolarHBondContact O-N 3.01Å; A228-E230 VanDerWaalsContact C-N 3.33Å; E230-T232 PolarHBondContact O-N 2.96Å; E230-V233 PolarHBondContact O-N 3.47Å; E230-Q234 VanDerWaalsContact O-CB 3.28Å; E230-Q234 WeakPolarHBondContact O-CB 3.22Å; E230-Q234 PolarHBondContact O-N 3.29Å; E230-M280 HydrophobicContact CB-CE 3.56Å; E230-M280 HydrophobicContact CB-SD 3.88Å; E230-M280 HydrophobicContact CG-CE 3.15Å; E230-M280 HydrophobicContact CG-SD 3.7Å; E230-R322 IonicContact OE1-CZ 3.95Å; E230-R322 IonicContact OE1-NE 3.78Å; E230-R322 IonicContact OE1-NH2 3.48Å; E230-R322 PolarHBondContact OE1-NH2 3.13Å; E230-R322 IonicContact OE2-CZ 3.7Å; E230-R322 IonicContact OE2-NE 2.76Å; E230-R322 PolarHBondContact OE2-NE 3.37Å; E230-R322 IonicContact OE2-NH2 3.61Å; E230-R322 PolarHBondContact OE2-NH2 2.94Å; E230-R322 VanDerWaalsContact OE2-NH2 3.16Å |
| 231 | K | 71.9 | Confident | 71.8 | Confident | 130 Ų | 130 | 35.6 Ų | 35.6 | 57% | 0.565 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -55.9 | -37.7 | 168 | -79.9 | -178 | 178.6 | 178.5 | 0 | 111.9 | S227 W229 S235 M280 | S227-K231 PolarHBondContact O-N 2.68Å; W229-K231 PolarHBondContact O-N 2.97Å; K231-S235 WeakPolarHBondContact O-CB 3.46Å; K231-S235 PolarHBondContact O-N 2.77Å; K231-M280 HydrophobicContact CG-SD 4.26Å |
| 232 | T | 72 | Confident | 69.6 | Low | 38 Ų | 38 | 40.9 Ų | 40.9 | 23% | 0.233 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.6 | -47.1 | 178.6 | -40.1 | 0 | 0 | 0 | 0 | 110.1 | A228 W229 E230 Q234 S235 V236 L365 | A228-T232 PolarHBondContact O-N 3.26Å; A228-T232 PolarHBondContact O-OG1 3.2Å; W229-T232 WeakPolarHBondContact O-CA 3.33Å; W229-T232 WeakPolarHBondContact O-CB 3.44Å; W229-T232 PolarHBondContact O-N 2.76Å; W229-T232 PolarHBondContact O-OG1 3.17Å; E230-T232 PolarHBondContact O-N 2.96Å; T232-Q234 PolarHBondContact O-N 2.91Å; T232-S235 PolarHBondContact O-N 3.42Å; T232-S235 PolarHBondContact O-OG 3.19Å; T232-V236 VanDerWaalsContact O-CG2 3.25Å; T232-V236 WeakPolarHBondContact O-CG2 3.39Å; T232-V236 PolarHBondContact O-N 3.12Å; T232-L365 HydrophobicContact CG2-CD2 3.73Å |
| 233 | V | 73.7 | Confident | 67.6 | Low | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 175.3 | 177 | 0 | 0 | 0 | 0 | 111.6 | W229 E230 V236 E237 L362 | W229-V233 HydrophobicContact CD2-CG2 4.39Å; W229-V233 HydrophobicContact CG-CG2 4.44Å; W229-V233 HydrophobicContact CZ2-CG2 4.3Å; W229-V233 PolarHBondContact O-N 3.06Å; E230-V233 PolarHBondContact O-N 3.47Å; V233-V236 WeakPolarHBondContact O-CB 3.05Å; V233-V236 PolarHBondContact O-N 3.2Å; V233-V236 VanDerWaalsContact O-N 3.11Å; V233-E237 HydrophobicContact CG1-CG 4.36Å; V233-E237 PolarHBondContact O-N 3.12Å; V233-L362 HydrophobicContact CG1-CD1 4.39Å; V233-L362 HydrophobicContact CG2-CD1 4.37Å; V233-L362 HydrophobicContact CG2-CD2 4.07Å |
| 234 | Q | 71.2 | Confident | 65.2 | Low | 34 Ų | 34 | 54 Ų | 54 | 16% | 0.159 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.4 | -38.8 | -178.3 | -154 | 177 | 23.8 | 0 | 0 | 111.5 | E230 T232 V236 E237 Q238 M280 | E230-Q234 VanDerWaalsContact O-CB 3.28Å; E230-Q234 WeakPolarHBondContact O-CB 3.22Å; E230-Q234 PolarHBondContact O-N 3.29Å; T232-Q234 PolarHBondContact O-N 2.91Å; Q234-V236 PolarHBondContact O-N 3.07Å; Q234-E237 PolarHBondContact O-N 3.34Å; Q234-Q238 WeakPolarHBondContact O-CB 3.33Å; Q234-Q238 WeakPolarHBondContact O-CG 3.5Å; Q234-Q238 PolarHBondContact O-N 3.48Å; Q234-M280 PolarHBondContact OE1-SD 2.93Å; Q234-M280 VanDerWaalsContact OE1-SD 3.35Å |
| 235 | S | 68.2 | Low | 63 | Low | 30 Ų | 30 | 56 Ų | 56 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58 | -38.4 | 172.3 | 76.3 | 0 | 0 | 0 | 0 | 111.4 | K231 T232 M239 | K231-S235 WeakPolarHBondContact O-CB 3.46Å; K231-S235 PolarHBondContact O-N 2.77Å; T232-S235 PolarHBondContact O-N 3.42Å; T232-S235 PolarHBondContact O-OG 3.19Å; S235-M239 VanDerWaalsContact C-CE 3.47Å; S235-M239 WeakPolarHBondContact O-CB 2.89Å; S235-M239 WeakPolarHBondContact O-CE 3.33Å; S235-M239 WeakPolarHBondContact O-CG 3.41Å; S235-M239 PolarHBondContact O-N 3.16Å; S235-M239 VanDerWaalsContact O-N 3.16Å |
| 236 | V | 67.5 | Low | 60.6 | Low | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -73.9 | -38.9 | 179.3 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | T232 V233 Q234 N240 T405 L409 | T232-V236 VanDerWaalsContact O-CG2 3.25Å; T232-V236 WeakPolarHBondContact O-CG2 3.39Å; T232-V236 PolarHBondContact O-N 3.12Å; V233-V236 WeakPolarHBondContact O-CB 3.05Å; V233-V236 PolarHBondContact O-N 3.2Å; V233-V236 VanDerWaalsContact O-N 3.11Å; Q234-V236 PolarHBondContact O-N 3.07Å; V236-N240 PolarHBondContact O-N 3.39Å; V236-T405 HydrophobicContact CG1-CG2 3.89Å; V236-L409 HydrophobicContact CG1-CD1 4.04Å; V236-L409 HydrophobicContact CG1-CD2 4.03Å; V236-L409 HydrophobicContact CG1-CG 4.41Å; V236-L409 HydrophobicContact CG2-CD2 3.62Å |
| 237 | E | 64.4 | Low | 58.1 | Low | 64 Ų | 64 | 64.2 Ų | 64.2 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.6 | -44 | 176.8 | -73.5 | -176 | 159.6 | 0 | 0 | 112.6 | V233 Q234 M239 N240 T241 | V233-E237 HydrophobicContact CG1-CG 4.36Å; V233-E237 PolarHBondContact O-N 3.12Å; Q234-E237 PolarHBondContact O-N 3.34Å; E237-M239 VanDerWaalsContact C-N 3.32Å; E237-M239 PolarHBondContact O-N 3.08Å; E237-N240 WeakPolarHBondContact O-CB 3.38Å; E237-N240 PolarHBondContact O-N 3.43Å; E237-N240 VanDerWaalsContact O-N 3.11Å; E237-T241 PolarHBondContact O-N 3.02Å; E237-T241 PolarHBondContact O-OG1 3.46Å |
| 238 | Q | 60.1 | Low | 55.8 | Low | 62 Ų | 62 | 69.3 Ų | 69.3 | 29% | 0.29 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 174.9 | -77.3 | -178.5 | -49.3 | 0 | 0 | 111 | Q234 N240 T241 E242 | Q234-Q238 WeakPolarHBondContact O-CB 3.33Å; Q234-Q238 WeakPolarHBondContact O-CG 3.5Å; Q234-Q238 PolarHBondContact O-N 3.48Å; Q238-N240 PolarHBondContact O-N 2.96Å; Q238-T241 PolarHBondContact O-N 3.4Å; Q238-T241 VanDerWaalsContact O-N 3.08Å; Q238-T241 PolarHBondContact O-OG1 3Å; Q238-E242 VanDerWaalsContact O-CB 3.3Å; Q238-E242 WeakPolarHBondContact O-CB 3.49Å; Q238-E242 WeakPolarHBondContact O-CG 3.37Å; Q238-E242 PolarHBondContact O-N 3.2Å |
| 239 | M | 54.5 | Low | 53.5 | Low | 70 Ų | 70 | 71.3 Ų | 71.3 | 35% | 0.345 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.7 | -23.7 | 176.6 | -75.5 | -174.1 | -103.1 | 0 | 0 | 113.9 | S235 E237 F440 | S235-M239 VanDerWaalsContact C-CE 3.47Å; S235-M239 WeakPolarHBondContact O-CB 2.89Å; S235-M239 WeakPolarHBondContact O-CE 3.33Å; S235-M239 WeakPolarHBondContact O-CG 3.41Å; S235-M239 PolarHBondContact O-N 3.16Å; S235-M239 VanDerWaalsContact O-N 3.16Å; E237-M239 VanDerWaalsContact C-N 3.32Å; E237-M239 PolarHBondContact O-N 3.08Å; M239-F440 HydrophobicContact CE-CE2 4.43Å; M239-F440 HydrophobicContact CE-CZ 4.46Å; M239-F440 HydrophobicContact SD-CD2 3.95Å; M239-F440 HydrophobicContact SD-CE2 3.28Å; M239-F440 WeakPolarHBondContact SD-CE2 3.46Å; M239-F440 HydrophobicContact SD-CZ 3.7Å |
| 240 | N | 52.5 | Low | 51 | Low | 40 Ų | 40 | 74.2 Ų | 74.2 | 21% | 0.214 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -82.4 | -26.1 | 173.5 | -88.3 | -9.8 | 0 | 0 | 0 | 113.6 | V236 E237 Q238 L358 T405 | V236-N240 PolarHBondContact O-N 3.39Å; E237-N240 WeakPolarHBondContact O-CB 3.38Å; E237-N240 PolarHBondContact O-N 3.43Å; E237-N240 VanDerWaalsContact O-N 3.11Å; Q238-N240 PolarHBondContact O-N 2.96Å; N240-L358 WeakPolarHBondContact ND2-CD1 3.37Å; N240-T405 WeakPolarHBondContact OD1-CG2 3.37Å; N240-T405 PolarHBondContact OD1-OG1 3.44Å |
| 241 | T | 46.8 | Very low | 48.8 | Very low | 94 Ų | 94 | 83.1 Ų | 83.1 | 58% | 0.577 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -98.5 | -37.5 | -176 | 23.3 | 0 | 0 | 0 | 0 | 113.1 | E237 Q238 R243 F244 | E237-T241 PolarHBondContact O-N 3.02Å; E237-T241 PolarHBondContact O-OG1 3.46Å; Q238-T241 PolarHBondContact O-N 3.4Å; Q238-T241 VanDerWaalsContact O-N 3.08Å; Q238-T241 PolarHBondContact O-OG1 3Å; T241-R243 PolarHBondContact O-N 3.25Å; T241-F244 PolarHBondContact O-N 3.38Å |
| 242 | E | 40.7 | Very low | 46.6 | Very low | 111 Ų | 111 | 81.2 Ų | 81.2 | 52% | 0.519 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 13.6 | -168.3 | -70 | 177.1 | 174.1 | 0 | 0 | 115.7 | Q238 | Q238-E242 VanDerWaalsContact O-CB 3.3Å; Q238-E242 WeakPolarHBondContact O-CB 3.49Å; Q238-E242 WeakPolarHBondContact O-CG 3.37Å; Q238-E242 PolarHBondContact O-N 3.2Å |
| 243 | R | 41.5 | Very low | 44.3 | Very low | 139 Ų | 139 | 84.7 Ų | 84.7 | 53% | 0.525 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -5.2 | 166.9 | -74.8 | -169.6 | 171.6 | -178.9 | -1.9 | 115.1 | T241 I246 | T241-R243 PolarHBondContact O-N 3.25Å; R243-I246 HydrophobicContact CB-CD1 4.47Å; R243-I246 HydrophobicContact CG-CD1 4Å |
| 244 | F | 31.9 | Very low | 41.9 | Very low | 169 Ų | 169 | 87.3 Ų | 87.3 | 74% | 0.741 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -21.4 | 171.8 | -112.2 | -83.7 | 0 | 0 | 0 | 112.4 | T241 | T241-F244 PolarHBondContact O-N 3.38Š|
| 245 | S | 31.8 | Very low | 39.7 | Very low | 54 Ų | 54 | 90.7 Ų | 90.7 | 38% | 0.378 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -5.2 | 175.8 | 44.1 | 0 | 0 | 0 | 0 | 114.1 | V247 V248 D249 | S245-V247 PolarHBondContact O-N 3.3Å; S245-V248 PolarHBondContact O-N 2.92Å; S245-D249 PolarHBondContact O-N 2.75Å |
| 246 | I | 32 | Very low | 37.7 | Very low | 64 Ų | 64 | 92.4 Ų | 92.4 | 33% | 0.328 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.8 | -16.3 | 179.1 | -77.7 | 179.3 | 0 | 0 | 0 | 113 | R243 E250 | R243-I246 HydrophobicContact CB-CD1 4.47Å; R243-I246 HydrophobicContact CG-CD1 4Å; I246-E250 HydrophobicContact CB-CG 4.05Å; I246-E250 HydrophobicContact CG1-CG 3.96Å; I246-E250 HydrophobicContact CG2-CB 4.48Å; I246-E250 HydrophobicContact CG2-CG 3.66Å; I246-E250 WeakPolarHBondContact CG2-OE1 3.36Å; I246-E250 WeakPolarHBondContact O-CB 3.48Å |
| 247 | V | 30.1 | Very low | 35.6 | Very low | 131 Ų | 131 | 104.1 Ų | 104.1 | 79% | 0.794 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -88.2 | -3.1 | 174.6 | -177.3 | 0 | 0 | 0 | 0 | 112.8 | S245 | S245-V247 PolarHBondContact O-N 3.3Å |
| 248 | V | 28.7 | Very low | 33.7 | Very low | 126 Ų | 126 | 106.9 Ų | 106.9 | 76% | 0.764 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -133.3 | -19 | 175.8 | -177.3 | 0 | 0 | 0 | 0 | 113.7 | S245 | S245-V248 PolarHBondContact O-N 2.92Å |
| 249 | D | 25.6 | Very low | 32 | Very low | 100 Ų | 100 | 113.3 Ų | 113.3 | 54% | 0.535 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -127.4 | 16.3 | -176.9 | -95.9 | -28.4 | 0 | 0 | 0 | 115.3 | S245 R251 N252 | S245-D249 PolarHBondContact O-N 2.75Å; D249-R251 PolarHBondContact O-N 3.24Å; D249-N252 PolarHBondContact O-N 3.5Å |
| 250 | E | 29.2 | Very low | 30.5 | Very low | 92 Ų | 92 | 113.3 Ų | 113.3 | 43% | 0.43 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.8 | 23.2 | 159.1 | -95.4 | -167 | -173 | 0 | 0 | 113.5 | I246 | I246-E250 HydrophobicContact CB-CG 4.05Å; I246-E250 HydrophobicContact CG1-CG 3.96Å; I246-E250 HydrophobicContact CG2-CB 4.48Å; I246-E250 HydrophobicContact CG2-CG 3.66Å; I246-E250 WeakPolarHBondContact CG2-OE1 3.36Å; I246-E250 WeakPolarHBondContact O-CB 3.48Å |
| 251 | R | 31.1 | Very low | 29.2 | Very low | 188 Ų | 188 | 114.1 Ų | 114.1 | 71% | 0.709 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -13.2 | 158.4 | -82.7 | -174 | 176.5 | -179.3 | 1.5 | 113.1 | D249 | D249-R251 PolarHBondContact O-N 3.24Š|
| 252 | N | 24.8 | Very low | 28.2 | Very low | 91 Ų | 91 | 113.5 Ų | 113.5 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -151.9 | 84.8 | 178.8 | -62.6 | -64.9 | 0 | 0 | 0 | 113.7 | D249 N267 | D249-N252 PolarHBondContact O-N 3.5Å; N252-N267 PolarHBondContact ND2-ND2 3.36Å; N252-N267 PolarHBondContact OD1-ND2 3.38Å |
| 253 | S | 23.2 | Very low | 27.6 | Very low | 110 Ų | 110 | 112.5 Ų | 112.5 | 77% | 0.769 | 58% | 0.582 | S | S | * | * | trans | 169.1 | 65.3 | 146.7 | 45.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 254 | A | 23.3 | Very low | 27.1 | Very low | 61 Ų | 61 | 113.8 Ų | 113.8 | 50% | 0.504 | 60% | 0.6 | S | S | . | * | trans | -139.1 | 76.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 255 | S | 27 | Very low | 27.3 | Very low | 104 Ų | 104 | 110.7 Ų | 110.7 | 73% | 0.727 | 59% | 0.587 | S | S | * | * | trans | -138.5 | 113.5 | 149.3 | 59 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 256 | S | 25.1 | Very low | 27.5 | Very low | 66 Ų | 66 | 115 Ų | 115 | 46% | 0.462 | 61% | 0.607 | S | S | . | * | trans | -38.4 | 138.7 | 146.9 | 10.9 | 0 | 0 | 0 | 0 | 109.9 | K258 E568 | S256-K258 PolarHBondContact O-N 2.98Å; S256-E568 WeakPolarHBondContact CB-OE2 3.12Å; S256-E568 PolarHBondContact OG-OE2 3.47Å | ||
| 257 | R | 24.5 | Very low | 28.4 | Very low | 251 Ų | 251 | 114.5 Ų | 114.5 | 95% | 0.947 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -55 | 95.4 | 174.9 | -70.8 | 168 | 169 | 173.2 | -6.1 | 111 | ||
| 258 | K | 23.3 | Very low | 29.5 | Very low | 122 Ų | 122 | 110.1 Ų | 110.1 | 53% | 0.53 | 58% | 0.576 | S | S | . | * | trans | -149.5 | 125.9 | 145.6 | -97 | 176.3 | -173.5 | 175.1 | 0 | 107.9 | S256 I260 E568 | S256-K258 PolarHBondContact O-N 2.98Å; K258-I260 PolarHBondContact O-N 3.21Å; K258-E568 HydrophobicContact CB-CG 4.49Å; K258-E568 HydrophobicContact CD-CG 4.34Å; K258-E568 PolarHBondContact NZ-O 3.39Å | ||
| 259 | Q | 24.3 | Very low | 30.8 | Very low | 196 Ų | 196 | 107.6 Ų | 107.6 | 92% | 0.916 | 56% | 0.557 | S | S | * | * | trans | -56.1 | 114 | -178 | -68.9 | 161.5 | -47.3 | 0 | 0 | 110.8 | ||||
| 260 | I | 24.4 | Very low | 32.2 | Very low | 71 Ų | 71 | 105.4 Ų | 105.4 | 36% | 0.364 | 55% | 0.55 | S | S | . | * | trans | -123.2 | 120 | 150.8 | -65.4 | 178 | 0 | 0 | 0 | 106.4 | K258 L262 | K258-I260 PolarHBondContact O-N 3.21Å; I260-L262 PolarHBondContact O-N 2.87Å; I260-L262 VanDerWaalsContact O-N 3.14Å | ||
| 261 | T | 24.3 | Very low | 33.4 | Very low | 56 Ų | 56 | 110 Ų | 110 | 34% | 0.344 | 56% | 0.564 | S | S | . | * | trans | -69 | 96.7 | 175 | 45.6 | 0 | 0 | 0 | 0 | 110.5 | R687 | T261-R687 VanDerWaalsContact CG2-NH1 3.26Å; T261-R687 VanDerWaalsContact OG1-CZ 3.31Å; T261-R687 PolarHBondContact OG1-NH1 3.44Å; T261-R687 PolarHBondContact OG1-NH2 3.28Å | ||
| 262 | L | 25.1 | Very low | 34.7 | Very low | 81 Ų | 81 | 101.1 Ų | 101.1 | 42% | 0.424 | 53% | 0.53 | S | S | . | . | trans | -110.6 | 116.7 | 146.3 | -81.3 | 154.3 | 0 | 0 | 0 | 104.9 | I260 D264 E595 | I260-L262 PolarHBondContact O-N 2.87Å; I260-L262 VanDerWaalsContact O-N 3.14Å; L262-D264 PolarHBondContact O-N 3.43Å; L262-E595 HydrophobicContact CD1-CG 4.06Å; L262-E595 HydrophobicContact CD2-CG 4.35Å | ||
| 263 | T | 28.9 | Very low | 36.1 | Very low | 90 Ų | 90 | 100.1 Ų | 100.1 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | trans | -9.9 | 113.2 | 163.4 | 47.1 | 0 | 0 | 0 | 0 | 114.3 | Q265 | T263-Q265 PolarHBondContact O-N 3.5Š| ||
| 264 | D | 31.7 | Very low | 37.4 | Very low | 166 Ų | 166 | 97.6 Ų | 97.6 | 89% | 0.888 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 66.4 | 174.5 | -97.3 | -38.4 | 0 | 0 | 0 | 111.8 | L262 | L262-D264 PolarHBondContact O-N 3.43Š|
| 265 | Q | 34.8 | Very low | 38.8 | Very low | 104 Ų | 104 | 99.8 Ų | 99.8 | 49% | 0.486 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -14.8 | 173 | -76.1 | -165.9 | -17 | 0 | 0 | 114.1 | T263 | T263-Q265 PolarHBondContact O-N 3.5Š|
| 266 | D | 37.1 | Very low | 39.9 | Very low | 146 Ų | 146 | 96.6 Ų | 96.6 | 78% | 0.781 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 89.6 | -169.3 | -77.3 | -30.2 | 0 | 0 | 0 | 114.4 | ||
| 267 | N | 51.2 | Low | 41.1 | Very low | 52 Ų | 52 | 100.8 Ų | 100.8 | 28% | 0.278 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | 177.2 | 70.1 | 111 | -87.5 | -64.7 | 0 | 0 | 0 | 109.3 | N252 I269 S270 R271 | N252-N267 PolarHBondContact ND2-ND2 3.36Å; N252-N267 PolarHBondContact OD1-ND2 3.38Å; N267-I269 PolarHBondContact O-N 3.45Å; N267-S270 VanDerWaalsContact CB-CB 3.47Å; N267-S270 WeakPolarHBondContact CB-OG 3.49Å; N267-S270 WeakPolarHBondContact O-CA 3.47Å; N267-S270 WeakPolarHBondContact O-CB 3.46Å; N267-S270 PolarHBondContact O-N 3.17Å; N267-S270 PolarHBondContact O-OG 2.99Å; N267-R271 PolarHBondContact O-N 2.91Å; N267-R271 VanDerWaalsContact O-N 3.12Å | |
| 268 | I | 51.8 | Low | 42.5 | Very low | 39 Ų | 39 | 90.7 Ų | 90.7 | 20% | 0.2 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -60.8 | -30.7 | 164.9 | -66.2 | -161.1 | 0 | 0 | 0 | 110.4 | V37 Q41 S270 R271 L272 | V37-I268 HydrophobicContact CG1-CB 4.37Å; V37-I268 HydrophobicContact CG1-CG2 3.41Å; V37-I268 VanDerWaalsContact CG1-CG2 3.41Å; Q41-I268 VanDerWaalsContact CD-CG1 3.5Å; Q41-I268 HydrophobicContact CG-CD1 3.57Å; Q41-I268 HydrophobicContact CG-CG1 4.49Å; I268-S270 PolarHBondContact O-N 3.47Å; I268-R271 CarbonylContact O-C 3.54Å; I268-R271 WeakPolarHBondContact O-CA 3.48Å; I268-R271 PolarHBondContact O-N 3.1Å; I268-L272 HydrophobicContact CG2-CD1 4.07Å; I268-L272 HydrophobicContact CG2-CG 4.11Å; I268-L272 WeakPolarHBondContact O-CG 3.31Å; I268-L272 PolarHBondContact O-N 3.02Å |
| 269 | I | 55.8 | Low | 44.1 | Very low | 73 Ų | 73 | 86 Ų | 86 | 37% | 0.374 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -55.7 | -42.5 | 169.4 | -59.9 | 178.4 | 0 | 0 | 0 | 110.1 | F34 N267 R271 L272 V273 | F34-I269 HydrophobicContact CD1-CG1 4.09Å; F34-I269 HydrophobicContact CD1-CG2 4.33Å; F34-I269 HydrophobicContact CE1-CB 4.44Å; F34-I269 HydrophobicContact CE1-CG1 4.34Å; F34-I269 HydrophobicContact CE1-CG2 3.77Å; F34-I269 HydrophobicContact CZ-CG2 4.02Å; N267-I269 PolarHBondContact O-N 3.45Å; I269-R271 PolarHBondContact O-N 3.27Å; I269-L272 PolarHBondContact O-N 3.41Å; I269-V273 HydrophobicContact CG2-CG2 4.03Å; I269-V273 VanDerWaalsContact O-CB 3.27Å; I269-V273 WeakPolarHBondContact O-CB 3.42Å; I269-V273 WeakPolarHBondContact O-CG2 3.23Å; I269-V273 PolarHBondContact O-N 3.28Å |
| 270 | S | 55.7 | Low | 45.7 | Very low | 55 Ų | 55 | 78.4 Ų | 78.4 | 39% | 0.385 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 173.3 | 78.1 | 0 | 0 | 0 | 0 | 112.3 | N267 I268 L272 V273 S274 | N267-S270 VanDerWaalsContact CB-CB 3.47Å; N267-S270 WeakPolarHBondContact CB-OG 3.49Å; N267-S270 WeakPolarHBondContact O-CA 3.47Å; N267-S270 WeakPolarHBondContact O-CB 3.46Å; N267-S270 PolarHBondContact O-N 3.17Å; N267-S270 PolarHBondContact O-OG 2.99Å; I268-S270 PolarHBondContact O-N 3.47Å; S270-L272 VanDerWaalsContact C-N 3.32Å; S270-L272 PolarHBondContact O-N 3.22Å; S270-V273 PolarHBondContact O-N 2.97Å; S270-S274 WeakPolarHBondContact O-CA 3.28Å; S270-S274 WeakPolarHBondContact O-CB 3.41Å; S270-S274 PolarHBondContact O-N 3.31Å; S270-S274 PolarHBondContact O-OG 2.95Å |
| 271 | R | 53.8 | Low | 47.6 | Very low | 188 Ų | 188 | 79.5 Ų | 79.5 | 71% | 0.709 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -69.3 | -27.1 | 177.5 | -68.5 | -173.7 | -175.8 | 171.6 | 3.2 | 113.4 | N267 I268 I269 | N267-R271 PolarHBondContact O-N 2.91Å; N267-R271 VanDerWaalsContact O-N 3.12Å; I268-R271 CarbonylContact O-C 3.54Å; I268-R271 WeakPolarHBondContact O-CA 3.48Å; I268-R271 PolarHBondContact O-N 3.1Å; I269-R271 PolarHBondContact O-N 3.27Å |
| 272 | L | 57.8 | Low | 49.6 | Very low | 1 Ų | 1 | 80.1 Ų | 80.1 | 1% | 0.005 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -78.9 | -38.7 | 174.1 | -69.2 | 168.6 | 0 | 0 | 0 | 112.1 | F34 V37 R75 A76 I268 I269 S270 | F34-L272 HydrophobicContact CD1-CD1 4.18Å; F34-L272 HydrophobicContact CE1-CD1 4.26Å; V37-L272 HydrophobicContact CB-CD1 4.12Å; V37-L272 HydrophobicContact CG1-CD1 3.95Å; V37-L272 HydrophobicContact CG2-CD1 3.96Å; R75-L272 HydrophobicContact CB-CD2 3.73Å; R75-L272 VanDerWaalsContact CD-O 3.23Å; R75-L272 WeakPolarHBondContact CD-O 3.47Å; R75-L272 PolarHBondContact NH1-O 3.25Å; A76-L272 HydrophobicContact CB-CD2 4.13Å; I268-L272 HydrophobicContact CG2-CD1 4.07Å; I268-L272 HydrophobicContact CG2-CG 4.11Å; I268-L272 WeakPolarHBondContact O-CG 3.31Å; I268-L272 PolarHBondContact O-N 3.02Å; I269-L272 PolarHBondContact O-N 3.41Å; S270-L272 VanDerWaalsContact C-N 3.32Å; S270-L272 PolarHBondContact O-N 3.22Å |
| 273 | V | 55.2 | Low | 51.8 | Low | 71 Ų | 71 | 76.2 Ų | 76.2 | 43% | 0.43 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -89.2 | -25.6 | -174.5 | 179.8 | 0 | 0 | 0 | 0 | 111.9 | F34 I269 S270 | F34-V273 HydrophobicContact CE1-CG2 4.06Å; F34-V273 HydrophobicContact CZ-CG2 3.83Å; I269-V273 HydrophobicContact CG2-CG2 4.03Å; I269-V273 VanDerWaalsContact O-CB 3.27Å; I269-V273 WeakPolarHBondContact O-CB 3.42Å; I269-V273 WeakPolarHBondContact O-CG2 3.23Å; I269-V273 PolarHBondContact O-N 3.28Å; S270-V273 PolarHBondContact O-N 2.97Å |
| 274 | S | 51.4 | Low | 53.9 | Low | 56 Ų | 56 | 81.8 Ų | 81.8 | 39% | 0.392 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -68.9 | 133.3 | 175.2 | 48.7 | 0 | 0 | 0 | 0 | 110.5 | S270 G276 | S270-S274 WeakPolarHBondContact O-CA 3.28Å; S270-S274 WeakPolarHBondContact O-CB 3.41Å; S270-S274 PolarHBondContact O-N 3.31Å; S270-S274 PolarHBondContact O-OG 2.95Å; S274-G276 PolarHBondContact O-N 3.29Å |
| 275 | P | 51.1 | Low | 55.8 | Low | 107 Ų | 107 | 75.9 Ų | 75.9 | 70% | 0.695 | 39% | 0.389 | S | S | * | . | trans | -61.7 | 123.4 | 176.9 | 23.6 | -30.5 | 0 | 0 | 0 | 108.6 | Y277 | P275-Y277 PolarHBondContact O-N 3.47Š| ||
| 276 | G | 50.9 | Low | 57.6 | Low | 38 Ų | 38 | 71 Ų | 71 | 39% | 0.392 | 37% | 0.366 | S | S | . | . | trans | -47.1 | 111.3 | -178 | 0 | 0 | 0 | 0 | 0 | 111.3 | S274 V278 | S274-G276 PolarHBondContact O-N 3.29Å; G276-V278 PolarHBondContact O-N 2.92Å | ||
| 277 | Y | 50.2 | Low | 59.6 | Low | 153 Ų | 153 | 69 Ų | 69 | 60% | 0.6 | 35% | 0.348 | S | S | * | . | trans | -77.1 | 97.1 | -174.6 | -162.5 | -92.8 | 0 | 0 | 0 | 109.2 | P275 G279 | P275-Y277 PolarHBondContact O-N 3.47Å; Y277-G279 PolarHBondContact O-N 2.86Å; Y277-G279 VanDerWaalsContact O-N 3.17Å | ||
| 278 | V | 54.8 | Low | 61 | Low | 39 Ų | 39 | 74.2 Ų | 74.2 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | trans | -74.2 | 104.8 | 173.7 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | C128 V169 G276 M280 | C128-V278 VanDerWaalsContact SG-CG2 3.51Å; V169-V278 HydrophobicContact CB-CG1 3.56Å; V169-V278 HydrophobicContact CG1-CG1 3.54Å; V169-V278 HydrophobicContact CG2-CG1 3.52Å; G276-V278 PolarHBondContact O-N 2.92Å; V278-M280 PolarHBondContact O-N 2.81Å | ||
| 279 | G | 55.1 | Low | 62.1 | Low | 25 Ų | 25 | 75.3 Ų | 75.3 | 26% | 0.258 | 37% | 0.372 | S | S | . | . | trans | -51.5 | 136.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V169 Y277 F281 | V169-G279 VanDerWaalsContact CG1-O 3.28Å; V169-G279 WeakPolarHBondContact CG1-O 3.49Å; Y277-G279 PolarHBondContact O-N 2.86Å; Y277-G279 VanDerWaalsContact O-N 3.17Å; G279-F281 VanDerWaalsContact O-CD2 3.28Å; G279-F281 WeakPolarHBondContact O-CD2 3.42Å; G279-F281 PolarHBondContact O-N 3.31Å | ||
| 280 | M | 59.4 | Low | 63.2 | Low | 36 Ų | 36 | 72.1 Ų | 72.1 | 18% | 0.177 | 36% | 0.356 | C | S | . | . | trans | -84.8 | 112.5 | -175.6 | -56.6 | -139.3 | 76.7 | 0 | 0 | 111.2 | R223 E230 K231 Q234 V278 | R223-M280 HydrophobicContact CG-CE 4.47Å; E230-M280 HydrophobicContact CB-CE 3.56Å; E230-M280 HydrophobicContact CB-SD 3.88Å; E230-M280 HydrophobicContact CG-CE 3.15Å; E230-M280 HydrophobicContact CG-SD 3.7Å; K231-M280 HydrophobicContact CG-SD 4.26Å; Q234-M280 PolarHBondContact OE1-SD 2.93Å; Q234-M280 VanDerWaalsContact OE1-SD 3.35Å; V278-M280 PolarHBondContact O-N 2.81Å | ||
| 281 | F | 63.4 | Low | 64.5 | Low | 94 Ų | 94 | 71.9 Ų | 71.9 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | trans | -119.3 | 140.4 | 177.8 | -69.2 | -89.5 | 0 | 0 | 0 | 110.5 | V169 S172 Q173 G279 | V169-F281 HydrophobicContact CG1-CD2 4.12Å; S172-F281 WeakPolarHBondContact OG-CB 3.21Å; Q173-F281 HydrophobicContact CG-CB 4.5Å; Q173-F281 HydrophobicContact CG-CD1 4.19Å; Q173-F281 HydrophobicContact CG-CD2 3.6Å; Q173-F281 HydrophobicContact CG-CE1 4.33Å; Q173-F281 HydrophobicContact CG-CE2 3.8Å; Q173-F281 HydrophobicContact CG-CG 3.83Å; Q173-F281 HydrophobicContact CG-CZ 4.15Å; G279-F281 VanDerWaalsContact O-CD2 3.28Å; G279-F281 WeakPolarHBondContact O-CD2 3.42Å; G279-F281 PolarHBondContact O-N 3.31Å | ||
| 282 | E | 66.6 | Low | 65.7 | Low | 68 Ų | 68 | 67.2 Ų | 67.2 | 32% | 0.318 | 35% | 0.353 | S | S | . | . | trans | -94.7 | 123.2 | 177.9 | -174 | 177.6 | 159.2 | 0 | 0 | 110.8 | N224 R287 | N224-E282 WeakPolarHBondContact O-CA 3.27Å; E282-R287 WeakPolarHBondContact OE1-CD 3.34Å; E282-R287 IonicContact OE1-CZ 2.8Å; E282-R287 IonicContact OE1-NE 2.72Å; E282-R287 IonicContact OE1-NH1 3.78Å; E282-R287 PolarHBondContact OE1-NH1 3.05Å | ||
| 283 | S | 72.1 | Confident | 66.7 | Low | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | trans | -84.8 | 111.9 | 170.8 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | E175 N224 T285 C286 R287 | E175-S283 PolarHBondContact OE1-OG 2.98Å; E175-S283 WeakPolarHBondContact OE2-CA 3.48Å; E175-S283 WeakPolarHBondContact OE2-CB 3.17Å; E175-S283 PolarHBondContact OE2-OG 3.32Å; N224-S283 PolarHBondContact O-N 3.08Å; S283-T285 VanDerWaalsContact C-N 3.26Å; S283-T285 PolarHBondContact O-N 3.49Å; S283-C286 WeakPolarHBondContact OG-CB 3.43Å; S283-C286 PolarHBondContact OG-N 3.33Å; S283-R287 WeakPolarHBondContact O-CB 3.23Å; S283-R287 PolarHBondContact O-N 3.28Å; S283-R287 VanDerWaalsContact O-N 3.09Å | ||
| 284 | R | 72.2 | Confident | 67.9 | Low | 207 Ų | 207 | 65.3 Ų | 65.3 | 78% | 0.781 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.8 | -34.4 | 174.8 | -71 | -176.8 | 178.3 | -179.1 | 0.6 | 112 | K288 | R284-K288 WeakPolarHBondContact O-CG 3.46Å; R284-K288 PolarHBondContact O-N 3.46Å; R284-K288 VanDerWaalsContact O-N 3.09Å |
| 285 | T | 70.6 | Confident | 69.2 | Low | 42 Ų | 42 | 68.7 Ų | 68.7 | 26% | 0.258 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.4 | -47.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E175 T182 S283 R287 K288 Q289 | E175-T285 WeakPolarHBondContact OE1-CB 3.33Å; E175-T285 PolarHBondContact OE1-OG1 2.97Å; E175-T285 PolarHBondContact OE2-OG1 3.28Å; T182-T285 HydrophobicContact CG2-CG2 3.95Å; S283-T285 VanDerWaalsContact C-N 3.26Å; S283-T285 PolarHBondContact O-N 3.49Å; T285-R287 VanDerWaalsContact C-N 3.3Å; T285-R287 PolarHBondContact O-N 3.12Å; T285-K288 PolarHBondContact O-N 3.39Å; T285-Q289 PolarHBondContact O-N 2.76Å |
| 286 | C | 73.1 | Confident | 70.5 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.007 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.9 | -44.1 | 174 | -171.1 | 0 | 0 | 0 | 0 | 111.3 | Y185 A225 S283 K288 Q289 L290 | Y185-C286 HydrophobicContact CD1-CB 3.65Å; Y185-C286 VanDerWaalsContact CD1-SG 3.58Å; Y185-C286 HydrophobicContact CE1-CB 3.78Å; Y185-C286 HydrophobicContact CG-CB 4.06Å; A225-C286 HydrophobicContact CB-CB 4.48Å; S283-C286 WeakPolarHBondContact OG-CB 3.43Å; S283-C286 PolarHBondContact OG-N 3.33Å; C286-K288 PolarHBondContact O-N 2.87Å; C286-Q289 PolarHBondContact O-N 3.23Å; C286-L290 WeakPolarHBondContact O-CB 3.25Å; C286-L290 VanDerWaalsContact O-CG 3.31Å; C286-L290 WeakPolarHBondContact O-CG 3.47Å; C286-L290 PolarHBondContact O-N 3.09Å; C286-L290 VanDerWaalsContact SG-CD1 3.59Å |
| 287 | R | 80.5 | Confident | 71.9 | Confident | 104 Ų | 104 | 67.2 Ų | 67.2 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 175.9 | -172.2 | 170.3 | -173.9 | 176.7 | 0.6 | 112.4 | A225 E282 S283 T285 Q289 L290 T291 F326 | A225-R287 HydrophobicContact CB-CB 4.19Å; E282-R287 WeakPolarHBondContact OE1-CD 3.34Å; E282-R287 IonicContact OE1-CZ 2.8Å; E282-R287 IonicContact OE1-NE 2.72Å; E282-R287 IonicContact OE1-NH1 3.78Å; E282-R287 PolarHBondContact OE1-NH1 3.05Å; S283-R287 WeakPolarHBondContact O-CB 3.23Å; S283-R287 PolarHBondContact O-N 3.28Å; S283-R287 VanDerWaalsContact O-N 3.09Å; T285-R287 VanDerWaalsContact C-N 3.3Å; T285-R287 PolarHBondContact O-N 3.12Å; R287-Q289 PolarHBondContact O-N 3.21Å; R287-L290 PolarHBondContact O-N 3.18Å; R287-T291 WeakPolarHBondContact O-CB 3.29Å; R287-T291 PolarHBondContact O-N 3.32Å; R287-T291 PolarHBondContact O-OG1 3.2Å; R287-F326 HydrophobicContact CB-CZ 4.49Å; R287-F326 HydrophobicContact CG-CE2 3.85Å; R287-F326 HydrophobicContact CG-CZ 3.74Å |
| 288 | K | 79.8 | Confident | 73.1 | Confident | 162 Ų | 162 | 60 Ų | 60 | 70% | 0.704 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59 | -46 | 175.9 | -77.3 | -178.7 | 178.4 | -178.6 | 0 | 112 | R284 T285 C286 T291 A292 | R284-K288 WeakPolarHBondContact O-CG 3.46Å; R284-K288 PolarHBondContact O-N 3.46Å; R284-K288 VanDerWaalsContact O-N 3.09Å; T285-K288 PolarHBondContact O-N 3.39Å; C286-K288 PolarHBondContact O-N 2.87Å; K288-T291 PolarHBondContact O-N 3.39Å; K288-A292 PolarHBondContact O-N 3.48Å |
| 289 | Q | 74.7 | Confident | 74.3 | Confident | 62 Ų | 62 | 60.3 Ų | 60.3 | 29% | 0.29 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.4 | -49.2 | -179.3 | -150.2 | 99.9 | -2.5 | 0 | 0 | 111.7 | T285 C286 R287 T291 A292 C293 | T285-Q289 PolarHBondContact O-N 2.76Å; C286-Q289 PolarHBondContact O-N 3.23Å; R287-Q289 PolarHBondContact O-N 3.21Å; Q289-T291 VanDerWaalsContact C-N 3.32Å; Q289-T291 PolarHBondContact O-N 3.27Å; Q289-A292 WeakPolarHBondContact O-CB 3.48Å; Q289-A292 PolarHBondContact O-N 3.25Å; Q289-C293 PolarHBondContact O-N 3.23Å |
| 290 | L | 79.5 | Confident | 75.4 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.2 | -32.8 | 179.5 | -67.5 | 169.8 | 0 | 0 | 0 | 112.2 | Y189 L221 L222 A225 C286 R287 A292 C293 Y294 M297 F326 | Y189-L290 HydrophobicContact CD2-CD2 4.43Å; L221-L290 HydrophobicContact CB-CD1 4.12Å; L221-L290 HydrophobicContact CB-CD2 4.18Å; L221-L290 HydrophobicContact CD1-CD2 4.46Å; L221-L290 WeakPolarHBondContact O-CD1 3.41Å; L222-L290 HydrophobicContact CD2-CD1 4.5Å; A225-L290 HydrophobicContact CB-CD1 3.55Å; C286-L290 WeakPolarHBondContact O-CB 3.25Å; C286-L290 VanDerWaalsContact O-CG 3.31Å; C286-L290 WeakPolarHBondContact O-CG 3.47Å; C286-L290 PolarHBondContact O-N 3.09Å; C286-L290 VanDerWaalsContact SG-CD1 3.59Å; R287-L290 PolarHBondContact O-N 3.18Å; L290-A292 VanDerWaalsContact C-N 3.25Å; L290-A292 PolarHBondContact O-N 2.98Å; L290-C293 CarbonylContact O-C 3.45Å; L290-C293 PolarHBondContact O-N 3.06Å; L290-Y294 WeakPolarHBondContact O-CA 3.19Å; L290-Y294 WeakPolarHBondContact O-CB 3.5Å; L290-Y294 PolarHBondContact O-N 3.05Å; L290-M297 HydrophobicContact CB-SD 4.48Å; L290-M297 HydrophobicContact CD2-CE 3.95Å; L290-M297 HydrophobicContact CD2-SD 3.49Å; L290-M297 WeakPolarHBondContact CD2-SD 3.44Å; L290-F326 HydrophobicContact CB-CE1 4.39Å; L290-F326 HydrophobicContact CB-CZ 4.11Å |
| 291 | T | 81.5 | Confident | 76.2 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 31% | 0.307 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.7 | -33.6 | 175.5 | -51.8 | 0 | 0 | 0 | 0 | 111.5 | R287 K288 Q289 R330 | R287-T291 WeakPolarHBondContact O-CB 3.29Å; R287-T291 PolarHBondContact O-N 3.32Å; R287-T291 PolarHBondContact O-OG1 3.2Å; K288-T291 PolarHBondContact O-N 3.39Å; Q289-T291 VanDerWaalsContact C-N 3.32Å; Q289-T291 PolarHBondContact O-N 3.27Å; T291-R330 PolarHBondContact O-NH1 3.43Å; T291-R330 VanDerWaalsContact O-NH1 3.13Å |
| 292 | A | 80.5 | Confident | 76.7 | Confident | 89 Ų | 89 | 55.6 Ų | 55.6 | 74% | 0.736 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -72.3 | -35.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K288 Q289 L290 | K288-A292 PolarHBondContact O-N 3.48Å; Q289-A292 WeakPolarHBondContact O-CB 3.48Å; Q289-A292 PolarHBondContact O-N 3.25Å; L290-A292 VanDerWaalsContact C-N 3.25Å; L290-A292 PolarHBondContact O-N 2.98Å |
| 293 | C | 77.8 | Confident | 77.1 | Confident | 32 Ų | 32 | 59.8 Ų | 59.8 | 22% | 0.216 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -95.4 | 8.5 | -178.1 | -61.7 | 0 | 0 | 0 | 0 | 114.5 | Y189 Q289 L290 E295 E296 M297 | Y189-C293 HydrophobicContact CE1-CB 3.85Å; Y189-C293 HydrophobicContact CE2-CB 4.28Å; Q289-C293 PolarHBondContact O-N 3.23Å; L290-C293 CarbonylContact O-C 3.45Å; L290-C293 PolarHBondContact O-N 3.06Å; C293-E295 PolarHBondContact O-N 3.11Å; C293-E296 PolarHBondContact O-N 2.92Å; C293-M297 PolarHBondContact O-N 3.13Å |
| 294 | Y | 81 | Confident | 77.1 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.1 | -37.9 | -167.9 | -170.2 | -101 | 0 | 0 | 0 | 114.2 | L290 C298 L323 F326 D327 R330 | L290-Y294 WeakPolarHBondContact O-CA 3.19Å; L290-Y294 WeakPolarHBondContact O-CB 3.5Å; L290-Y294 PolarHBondContact O-N 3.05Å; Y294-C298 WeakPolarHBondContact O-CB 3.41Å; Y294-C298 PolarHBondContact O-N 3.33Å; Y294-C298 PolarHBondContact O-SG 3.31Å; Y294-L323 HydrophobicContact CD2-CD2 4.41Å; Y294-L323 HydrophobicContact CE2-CD2 3.79Å; Y294-L323 PolarHBondContact OH-O 3.33Å; Y294-F326 AromaticContact CD2-CD1 3.86Å; Y294-F326 HydrophobicContact CD2-CD1 3.86Å; Y294-F326 HydrophobicContact CD2-CE1 4.27Å; Y294-F326 HydrophobicContact CE2-CB 4.44Å; Y294-F326 AromaticContact CE2-CD1 3.75Å; Y294-F326 HydrophobicContact CE2-CD1 3.75Å; Y294-D327 HydrophobicContact CE1-CB 4.14Å; Y294-D327 HydrophobicContact CE2-CB 4.17Å; Y294-D327 PolarHBondContact OH-O 3.32Å; Y294-R330 HydrophobicContact CD1-CB 3.85Å; Y294-R330 HydrophobicContact CE1-CB 3.58Å |
| 295 | E | 79 | Confident | 76.9 | Confident | 126 Ų | 126 | 52 Ų | 52 | 59% | 0.589 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -67.3 | -43.9 | 178.8 | -67.3 | -171.3 | 168.3 | 0 | 0 | 112.1 | C293 C298 S299 L334 | C293-E295 PolarHBondContact O-N 3.11Å; E295-C298 PolarHBondContact O-N 3.4Å; E295-S299 PolarHBondContact O-N 3.26Å; E295-L334 HydrophobicContact CG-CD1 4.08Å |
| 296 | E | 78.4 | Confident | 76.9 | Confident | 113 Ų | 113 | 57.1 Ų | 57.1 | 53% | 0.528 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 175.6 | -72.3 | -174.3 | 156.4 | 0 | 0 | 110.7 | C293 C298 S299 H300 | C293-E296 PolarHBondContact O-N 2.92Å; E296-C298 VanDerWaalsContact C-N 3.34Å; E296-C298 PolarHBondContact O-N 3.04Å; E296-S299 WeakPolarHBondContact O-CB 3.27Å; E296-S299 PolarHBondContact O-N 2.93Å; E296-S299 VanDerWaalsContact O-N 3.14Å; E296-H300 PolarHBondContact O-CD2 3.43Å; E296-H300 PolarHBondContact O-N 3.45Å |
| 297 | M | 80.1 | Confident | 76.8 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.5 | -49.7 | 174.6 | -79.4 | 178.6 | 71.1 | 0 | 0 | 112.2 | Y189 I218 L222 L290 C293 S299 H300 V301 L323 | Y189-M297 HydrophobicContact CD2-SD 4.5Å; Y189-M297 HydrophobicContact CE2-CG 3.41Å; Y189-M297 VanDerWaalsContact CE2-CG 3.41Å; Y189-M297 HydrophobicContact CE2-SD 3.83Å; I218-M297 HydrophobicContact CG1-CE 4.47Å; I218-M297 HydrophobicContact CG2-CE 3.64Å; L222-M297 HydrophobicContact CD1-CE 4.13Å; L222-M297 HydrophobicContact CD2-CE 4Å; L222-M297 HydrophobicContact CG-CE 3.99Å; L290-M297 HydrophobicContact CB-SD 4.48Å; L290-M297 HydrophobicContact CD2-CE 3.95Å; L290-M297 HydrophobicContact CD2-SD 3.49Å; L290-M297 WeakPolarHBondContact CD2-SD 3.44Å; C293-M297 PolarHBondContact O-N 3.13Å; M297-S299 VanDerWaalsContact C-N 3.28Å; M297-S299 PolarHBondContact O-N 3.15Å; M297-H300 PolarHBondContact O-N 2.87Å; M297-V301 WeakPolarHBondContact O-CG2 3.24Å; M297-V301 PolarHBondContact O-N 3.08Å; M297-L323 HydrophobicContact CE-CD2 4.2Å |
| 298 | C | 75.1 | Confident | 76.2 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 178.7 | -78.5 | 0 | 0 | 0 | 0 | 111.9 | Y294 E295 E296 S302 L334 N335 | Y294-C298 WeakPolarHBondContact O-CB 3.41Å; Y294-C298 PolarHBondContact O-N 3.33Å; Y294-C298 PolarHBondContact O-SG 3.31Å; E295-C298 PolarHBondContact O-N 3.4Å; E296-C298 VanDerWaalsContact C-N 3.34Å; E296-C298 PolarHBondContact O-N 3.04Å; C298-S302 WeakPolarHBondContact O-CB 3.21Å; C298-S302 PolarHBondContact O-N 3.17Å; C298-S302 PolarHBondContact O-OG 2.93Å; C298-L334 HydrophobicContact CB-CD1 4.21Å; C298-N335 WeakPolarHBondContact CB-ND2 3.45Å; C298-N335 PolarHBondContact O-ND2 3.42Å |
| 299 | S | 79.8 | Confident | 75.9 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 175.8 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | E295 E296 M297 R303 | E295-S299 PolarHBondContact O-N 3.26Å; E296-S299 WeakPolarHBondContact O-CB 3.27Å; E296-S299 PolarHBondContact O-N 2.93Å; E296-S299 VanDerWaalsContact O-N 3.14Å; M297-S299 VanDerWaalsContact C-N 3.28Å; M297-S299 PolarHBondContact O-N 3.15Å; S299-R303 WeakPolarHBondContact O-CG 3.24Å; S299-R303 PolarHBondContact O-N 3.18Å |
| 300 | H | 77.7 | Confident | 75.8 | Confident | 31 Ų | 31 | 57 Ų | 57 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 177.8 | -75.8 | -70 | 0 | 0 | 0 | 112.3 | F196 E296 M297 R303 C304 | F196-H300 HydrophobicContact CD2-CB 4.23Å; F196-H300 HydrophobicContact CE2-CB 4.25Å; E296-H300 PolarHBondContact O-CD2 3.43Å; E296-H300 PolarHBondContact O-N 3.45Å; M297-H300 PolarHBondContact O-N 2.87Å; H300-R303 PolarHBondContact O-N 3.31Å; H300-C304 PolarHBondContact O-SG 3.44Å |
| 301 | V | 76.4 | Confident | 75.3 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.9 | -41.4 | 179.1 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | L215 M297 R303 C304 L316 L323 | L215-V301 HydrophobicContact CD2-CG2 4.26Å; M297-V301 WeakPolarHBondContact O-CG2 3.24Å; M297-V301 PolarHBondContact O-N 3.08Å; V301-R303 VanDerWaalsContact C-N 3.31Å; V301-R303 PolarHBondContact O-N 2.94Å; V301-C304 WeakPolarHBondContact O-CB 2.97Å; V301-C304 PolarHBondContact O-N 2.78Å; V301-L316 HydrophobicContact CG1-CD1 3.83Å; V301-L323 HydrophobicContact CB-CD1 4.19Å; V301-L323 HydrophobicContact CG1-CD1 4.07Å; V301-L323 HydrophobicContact CG2-CD1 4.12Å |
| 302 | S | 74.6 | Confident | 75.1 | Confident | 21 Ų | 21 | 55.4 Ų | 55.4 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.7 | -36.4 | 177 | -80.6 | 0 | 0 | 0 | 0 | 113.6 | C298 C304 R305 N335 | C298-S302 WeakPolarHBondContact O-CB 3.21Å; C298-S302 PolarHBondContact O-N 3.17Å; C298-S302 PolarHBondContact O-OG 2.93Å; S302-C304 PolarHBondContact O-N 2.76Å; S302-R305 WeakPolarHBondContact O-CG 3.09Å; S302-R305 PolarHBondContact O-N 3.05Å; S302-R305 VanDerWaalsContact OG-CZ 3.3Å; S302-R305 PolarHBondContact OG-NH2 2.93Å; S302-N335 PolarHBondContact OG-ND2 3.2Å; S302-N335 PolarHBondContact OG-OD1 3.35Å |
| 303 | R | 73.9 | Confident | 75 | Confident | 155 Ų | 155 | 51.7 Ų | 51.7 | 59% | 0.585 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.3 | -21 | 175.4 | -75.2 | 172.6 | 177.7 | 158.3 | 0.5 | 113.3 | S299 H300 V301 | S299-R303 WeakPolarHBondContact O-CG 3.24Å; S299-R303 PolarHBondContact O-N 3.18Å; H300-R303 PolarHBondContact O-N 3.31Å; V301-R303 VanDerWaalsContact C-N 3.31Å; V301-R303 PolarHBondContact O-N 2.94Å |
| 304 | C | 72.8 | Confident | 75.1 | Confident | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -87.1 | 2.2 | -178.1 | -61.1 | 0 | 0 | 0 | 0 | 114.1 | F196 V211 L215 H300 V301 S302 N306 V307 L316 | F196-C304 WeakPolarHBondContact CE1-SG 3.41Å; V211-C304 HydrophobicContact CG1-CB 4.29Å; L215-C304 HydrophobicContact CD1-CB 4.49Å; H300-C304 PolarHBondContact O-SG 3.44Å; V301-C304 WeakPolarHBondContact O-CB 2.97Å; V301-C304 PolarHBondContact O-N 2.78Å; S302-C304 PolarHBondContact O-N 2.76Å; C304-N306 VanDerWaalsContact C-N 3.27Å; C304-N306 PolarHBondContact O-N 2.87Å; C304-V307 HydrophobicContact CB-CG2 4.36Å; C304-V307 WeakPolarHBondContact O-CG2 3.28Å; C304-V307 PolarHBondContact O-N 2.94Å; C304-L316 HydrophobicContact CB-CD1 3.86Å |
| 305 | R | 68.8 | Low | 75 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -67.6 | -19 | -178.7 | -69.2 | 176.6 | -175.3 | 151.2 | -6.8 | 115.3 | S302 V307 L316 N335 E338 S339 F342 | S302-R305 WeakPolarHBondContact O-CG 3.09Å; S302-R305 PolarHBondContact O-N 3.05Å; S302-R305 VanDerWaalsContact OG-CZ 3.3Å; S302-R305 PolarHBondContact OG-NH2 2.93Å; R305-V307 VanDerWaalsContact C-N 3.33Å; R305-L316 HydrophobicContact CB-CD2 4.34Å; R305-L316 HydrophobicContact CG-CD2 3.92Å; R305-N335 PolarHBondContact NH2-O 2.69Å; R305-E338 IonicContact CZ-OE2 2.83Å; R305-E338 IonicContact NH1-OE2 3.58Å; R305-E338 PolarHBondContact NH1-OE2 2.9Å; R305-S339 PolarHBondContact NH2-OG 2.98Å; R305-F342 HydrophobicContact CB-CD2 4.38Å; R305-F342 HydrophobicContact CB-CE2 4.43Å |
| 306 | N | 69.7 | Low | 75.2 | Confident | 150 Ų | 150 | 47.7 Ų | 47.7 | 80% | 0.802 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -87.6 | 3.7 | -179.4 | -70.1 | -19.5 | 0 | 0 | 0 | 114.1 | C304 | C304-N306 VanDerWaalsContact C-N 3.27Å; C304-N306 PolarHBondContact O-N 2.87Å |
| 307 | V | 71 | Confident | 75.3 | Confident | 27 Ų | 27 | 42.4 Ų | 42.4 | 16% | 0.164 | 22% | 0.216 | C | C | . | . | trans | -73 | 136.5 | -176.4 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | E208 V211 C304 R305 T309 N312 I313 | E208-V307 HydrophobicContact CG-CG1 4.43Å; V211-V307 HydrophobicContact CG1-CG2 4.27Å; C304-V307 HydrophobicContact CB-CG2 4.36Å; C304-V307 WeakPolarHBondContact O-CG2 3.28Å; C304-V307 PolarHBondContact O-N 2.94Å; R305-V307 VanDerWaalsContact C-N 3.33Å; V307-T309 WeakPolarHBondContact CG1-OG1 3.07Å; V307-N312 HydrophobicContact CB-CB 4.35Å; V307-N312 HydrophobicContact CG1-CB 3.58Å; V307-N312 WeakPolarHBondContact CG1-ND2 3.46Å; V307-I313 WeakPolarHBondContact O-CD1 3.46Å; V307-I313 WeakPolarHBondContact O-CG1 3.37Å | ||
| 308 | K | 68.5 | Low | 75.3 | Confident | 182 Ų | 182 | 46.2 Ų | 46.2 | 79% | 0.791 | 23% | 0.233 | S | C | * | . | trans | -93.7 | -20.9 | -171.2 | -68.8 | -176.7 | 179.3 | 179 | 0 | 113.6 | ||||
| 309 | T | 73.4 | Confident | 75.7 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 23% | 0.227 | 23% | 0.232 | C | C | . | . | trans | -67 | 126.9 | -176.9 | 4.4 | 0 | 0 | 0 | 0 | 110.9 | E208 V307 A311 N312 I313 | E208-T309 WeakPolarHBondContact OE2-CB 3.33Å; E208-T309 WeakPolarHBondContact OE2-CG2 3.38Å; E208-T309 PolarHBondContact OE2-OG1 3.16Å; V307-T309 WeakPolarHBondContact CG1-OG1 3.07Å; T309-A311 VanDerWaalsContact C-N 3.31Å; T309-A311 PolarHBondContact O-N 2.64Å; T309-N312 PolarHBondContact O-N 3.43Å; T309-N312 VanDerWaalsContact O-N 3.13Å; T309-N312 PolarHBondContact OG1-ND2 3.27Å; T309-I313 PolarHBondContact O-N 3.25Å; T309-I313 VanDerWaalsContact O-N 3.12Å | ||
| 310 | P | 71.8 | Confident | 75.9 | Confident | 82 Ų | 82 | 44 Ų | 44 | 53% | 0.532 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.9 | -38.3 | -177.3 | 20 | -30.1 | 0 | 0 | 0 | 112.8 | N312 I313 Q314 | P310-N312 VanDerWaalsContact C-N 3.35Å; P310-N312 PolarHBondContact O-N 2.78Å; P310-I313 PolarHBondContact O-N 3.15Å; P310-Q314 WeakPolarHBondContact O-CB 3.29Å; P310-Q314 PolarHBondContact O-N 2.99Å |
| 311 | A | 70.3 | Confident | 76.2 | Confident | 17 Ų | 17 | 42.8 Ų | 42.8 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | I154 T309 Q314 I315 | I154-A311 HydrophobicContact CD1-CB 4.31Å; T309-A311 VanDerWaalsContact C-N 3.31Å; T309-A311 PolarHBondContact O-N 2.64Å; A311-Q314 PolarHBondContact O-N 3.35Å; A311-I315 WeakPolarHBondContact O-CD1 3.49Å; A311-I315 PolarHBondContact O-N 3.46Å; A311-I315 VanDerWaalsContact O-N 3.15Å |
| 312 | N | 77.5 | Confident | 76.7 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.6 | -40.1 | 176.4 | -77.3 | -22.3 | 0 | 0 | 0 | 111.8 | E208 N212 V307 T309 P310 I315 L316 | E208-N312 PolarHBondContact O-ND2 2.96Å; N212-N312 WeakPolarHBondContact CA-OD1 3.07Å; N212-N312 WeakPolarHBondContact CB-OD1 3.24Å; N212-N312 PolarHBondContact ND2-OD1 3.02Å; V307-N312 HydrophobicContact CB-CB 4.35Å; V307-N312 HydrophobicContact CG1-CB 3.58Å; V307-N312 WeakPolarHBondContact CG1-ND2 3.46Å; T309-N312 PolarHBondContact O-N 3.43Å; T309-N312 VanDerWaalsContact O-N 3.13Å; T309-N312 PolarHBondContact OG1-ND2 3.27Å; P310-N312 VanDerWaalsContact C-N 3.35Å; P310-N312 PolarHBondContact O-N 2.78Å; N312-I315 PolarHBondContact O-N 2.99Å; N312-L316 VanDerWaalsContact O-CB 3.23Å; N312-L316 WeakPolarHBondContact O-CB 2.97Å; N312-L316 PolarHBondContact O-N 3.18Å |
| 313 | I | 77.6 | Confident | 77.1 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -42.4 | 177.8 | -65.5 | 167.6 | 0 | 0 | 0 | 111 | V307 T309 P310 I315 L316 L317 F342 Q352 | V307-I313 WeakPolarHBondContact O-CD1 3.46Å; V307-I313 WeakPolarHBondContact O-CG1 3.37Å; T309-I313 PolarHBondContact O-N 3.25Å; T309-I313 VanDerWaalsContact O-N 3.12Å; P310-I313 PolarHBondContact O-N 3.15Å; I313-I315 PolarHBondContact O-N 3.11Å; I313-L316 WeakPolarHBondContact O-CB 3.44Å; I313-L316 PolarHBondContact O-N 3.45Å; I313-L317 HydrophobicContact CG2-CD1 4.24Å; I313-L317 HydrophobicContact CG2-CG 4.45Å; I313-L317 WeakPolarHBondContact O-CG 3.43Å; I313-L317 PolarHBondContact O-N 3.41Å; I313-F342 HydrophobicContact CG2-CZ 4.1Å; I313-Q352 HydrophobicContact CG2-CG 4.45Å |
| 314 | Q | 78.9 | Confident | 77.5 | Confident | 58 Ų | 58 | 35 Ų | 35 | 27% | 0.271 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -56.9 | -48.5 | 176.2 | 178.8 | 176.6 | 30.7 | 0 | 0 | 111.9 | P310 A311 L317 K318 E355 | P310-Q314 WeakPolarHBondContact O-CB 3.29Å; P310-Q314 PolarHBondContact O-N 2.99Å; A311-Q314 PolarHBondContact O-N 3.35Å; Q314-L317 PolarHBondContact O-N 3.39Å; Q314-K318 PolarHBondContact O-N 2.98Å; Q314-E355 WeakPolarHBondContact CB-OE2 3.24Å; Q314-E355 HydrophobicContact CG-CG 4.35Å; Q314-E355 WeakPolarHBondContact CG-OE1 3.25Å; Q314-E355 WeakPolarHBondContact CG-OE2 3.5Å; Q314-E355 PolarHBondContact NE2-OE1 3.38Å |
| 315 | I | 79.2 | Confident | 77.9 | Confident | 13 Ų | 13 | 35.2 Ų | 35.2 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.1 | -36.2 | 177.8 | -71.4 | 151.3 | 0 | 0 | 0 | 111.3 | N212 L215 L216 A311 N312 I313 K318 T319 | N212-I315 WeakPolarHBondContact ND2-CD1 3.5Å; L215-I315 HydrophobicContact CB-CG2 3.65Å; L216-I315 HydrophobicContact CD2-CD1 3.44Å; L216-I315 VanDerWaalsContact CD2-CD1 3.44Å; L216-I315 HydrophobicContact CD2-CG1 3.91Å; L216-I315 HydrophobicContact CD2-CG2 4.38Å; L216-I315 HydrophobicContact CG-CD1 3.9Å; A311-I315 WeakPolarHBondContact O-CD1 3.49Å; A311-I315 PolarHBondContact O-N 3.46Å; A311-I315 VanDerWaalsContact O-N 3.15Å; N312-I315 PolarHBondContact O-N 2.99Å; I313-I315 PolarHBondContact O-N 3.11Å; I315-K318 PolarHBondContact O-N 3.32Å; I315-T319 PolarHBondContact O-N 3.29Å; I315-T319 PolarHBondContact O-OG1 3.07Å |
| 316 | L | 82.7 | Confident | 78.6 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 176.5 | -162.4 | 78.8 | 0 | 0 | 0 | 111.8 | L215 V301 C304 R305 N312 I313 T319 T320 F342 | L215-L316 HydrophobicContact CD1-CD1 3.99Å; L215-L316 HydrophobicContact CD2-CD1 3.82Å; V301-L316 HydrophobicContact CG1-CD1 3.83Å; C304-L316 HydrophobicContact CB-CD1 3.86Å; R305-L316 HydrophobicContact CB-CD2 4.34Å; R305-L316 HydrophobicContact CG-CD2 3.92Å; N312-L316 VanDerWaalsContact O-CB 3.23Å; N312-L316 WeakPolarHBondContact O-CB 2.97Å; N312-L316 PolarHBondContact O-N 3.18Å; I313-L316 WeakPolarHBondContact O-CB 3.44Å; I313-L316 PolarHBondContact O-N 3.45Å; L316-T319 VanDerWaalsContact CA-OG1 3.29Å; L316-T319 WeakPolarHBondContact CA-OG1 3.42Å; L316-T319 PolarHBondContact O-OG1 3.17Å; L316-T320 VanDerWaalsContact O-CB 3.28Å; L316-T320 WeakPolarHBondContact O-CB 3.39Å; L316-T320 PolarHBondContact O-N 3.08Å; L316-T320 PolarHBondContact O-OG1 3.38Å; L316-F342 HydrophobicContact CD2-CE1 3.86Å; L316-F342 HydrophobicContact CD2-CZ 3.76Å |
| 317 | L | 81.3 | Confident | 79.2 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | 174.1 | -71.3 | 170.4 | 0 | 0 | 0 | 110.9 | I313 Q314 T320 T321 F342 V343 E355 A359 | I313-L317 HydrophobicContact CG2-CD1 4.24Å; I313-L317 HydrophobicContact CG2-CG 4.45Å; I313-L317 WeakPolarHBondContact O-CG 3.43Å; I313-L317 PolarHBondContact O-N 3.41Å; Q314-L317 PolarHBondContact O-N 3.39Å; L317-T320 PolarHBondContact O-N 3.42Å; L317-T321 WeakPolarHBondContact O-CG2 3.49Å; L317-T321 PolarHBondContact O-N 3.2Å; L317-T321 VanDerWaalsContact O-N 3.15Å; L317-F342 HydrophobicContact CD2-CD1 4.13Å; L317-F342 HydrophobicContact CD2-CE1 3.75Å; L317-F342 HydrophobicContact CG-CE1 4.27Å; L317-V343 HydrophobicContact CD2-CB 4.41Å; L317-V343 HydrophobicContact CD2-CG2 3.79Å; L317-E355 HydrophobicContact CD1-CB 4.15Å; L317-A359 HydrophobicContact CB-CB 4.2Å; L317-A359 HydrophobicContact CD2-CB 4.4Å |
| 318 | K | 81.1 | Confident | 79.5 | Confident | 80 Ų | 80 | 30 Ų | 30 | 35% | 0.348 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.9 | -49.7 | 176.9 | -72 | -178.7 | 179.3 | -175.9 | 0 | 112.2 | Q314 I315 T320 T321 R322 | Q314-K318 PolarHBondContact O-N 2.98Å; I315-K318 PolarHBondContact O-N 3.32Å; K318-T320 VanDerWaalsContact C-N 3.33Å; K318-T320 PolarHBondContact O-N 3.23Å; K318-T321 PolarHBondContact O-N 3.04Å; K318-T321 PolarHBondContact O-OG1 2.9Å; K318-R322 PolarHBondContact O-N 3.24Å; K318-R322 VanDerWaalsContact O-N 3.15Å |
| 319 | T | 83.2 | Confident | 80 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.8 | -38.2 | 177.7 | 31.5 | 0 | 0 | 0 | 0 | 112.5 | I218 N219 I315 L316 T321 R322 L323 | I218-T319 HydrophobicContact CG2-CG2 4.08Å; N219-T319 HydrophobicContact CB-CG2 3.56Å; N219-T319 WeakPolarHBondContact OD1-CG2 3.31Å; I315-T319 PolarHBondContact O-N 3.29Å; I315-T319 PolarHBondContact O-OG1 3.07Å; L316-T319 VanDerWaalsContact CA-OG1 3.29Å; L316-T319 WeakPolarHBondContact CA-OG1 3.42Å; L316-T319 PolarHBondContact O-OG1 3.17Å; T319-T321 PolarHBondContact O-N 2.93Å; T319-R322 PolarHBondContact O-N 3.44Å; T319-L323 WeakPolarHBondContact O-CG 3.41Å; T319-L323 PolarHBondContact O-N 3.17Å |
| 320 | T | 83.7 | Confident | 80.2 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 178.3 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | L316 L317 K318 L323 A324 F331 S339 | L316-T320 VanDerWaalsContact O-CB 3.28Å; L316-T320 WeakPolarHBondContact O-CB 3.39Å; L316-T320 PolarHBondContact O-N 3.08Å; L316-T320 PolarHBondContact O-OG1 3.38Å; L317-T320 PolarHBondContact O-N 3.42Å; K318-T320 VanDerWaalsContact C-N 3.33Å; K318-T320 PolarHBondContact O-N 3.23Å; T320-L323 PolarHBondContact O-N 3.32Å; T320-A324 PolarHBondContact O-N 3.11Å; T320-A324 VanDerWaalsContact O-N 3.11Å; T320-F331 HydrophobicContact CG2-CE2 4.43Å; T320-F331 HydrophobicContact CG2-CZ 3.97Å; T320-S339 WeakPolarHBondContact CG2-OG 3.42Å |
| 321 | T | 84.4 | Confident | 80.6 | Confident | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.5 | -38.6 | 176 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | L317 K318 T319 A324 A325 A359 L362 L363 | L317-T321 WeakPolarHBondContact O-CG2 3.49Å; L317-T321 PolarHBondContact O-N 3.2Å; L317-T321 VanDerWaalsContact O-N 3.15Å; K318-T321 PolarHBondContact O-N 3.04Å; K318-T321 PolarHBondContact O-OG1 2.9Å; T319-T321 PolarHBondContact O-N 2.93Å; T321-A324 PolarHBondContact O-N 2.9Å; T321-A325 PolarHBondContact O-N 3.07Å; T321-A359 HydrophobicContact CG2-CB 3.84Å; T321-A359 WeakPolarHBondContact CG2-O 3.46Å; T321-L362 HydrophobicContact CG2-CB 4.1Å; T321-L363 HydrophobicContact CG2-CD1 4.03Å; T321-L363 HydrophobicContact CG2-CG 4.47Å |
| 322 | R | 85.3 | Confident | 80.9 | Confident | 16 Ų | 16 | 29.4 Ų | 29.4 | 6% | 0.06 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68 | -38.8 | 177.1 | -71.2 | -176.3 | 173.7 | 107 | 3.4 | 112.5 | N219 L222 E230 K318 T319 A325 F326 | N219-R322 PolarHBondContact ND2-NH1 2.89Å; N219-R322 PolarHBondContact OD1-NH1 3.36Å; L222-R322 HydrophobicContact CB-CB 4.26Å; L222-R322 HydrophobicContact CD1-CB 4.23Å; E230-R322 IonicContact OE1-CZ 3.95Å; E230-R322 IonicContact OE1-NE 3.78Å; E230-R322 IonicContact OE1-NH2 3.48Å; E230-R322 PolarHBondContact OE1-NH2 3.13Å; E230-R322 IonicContact OE2-CZ 3.7Å; E230-R322 IonicContact OE2-NE 2.76Å; E230-R322 PolarHBondContact OE2-NE 3.37Å; E230-R322 IonicContact OE2-NH2 3.61Å; E230-R322 PolarHBondContact OE2-NH2 2.94Å; E230-R322 VanDerWaalsContact OE2-NH2 3.16Å; K318-R322 PolarHBondContact O-N 3.24Å; K318-R322 VanDerWaalsContact O-N 3.15Å; T319-R322 PolarHBondContact O-N 3.44Å; R322-A325 PolarHBondContact O-N 3.27Å; R322-F326 WeakPolarHBondContact O-CB 3.38Å; R322-F326 PolarHBondContact O-N 2.9Å |
| 323 | L | 84 | Confident | 80.9 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.9 | -48.8 | 173.3 | -77 | 169.9 | 0 | 0 | 0 | 111.1 | L222 Y294 M297 V301 T319 T320 A325 F326 D327 F331 | L222-L323 HydrophobicContact CD1-CD2 3.78Å; L222-L323 HydrophobicContact CD1-CG 3.8Å; L222-L323 HydrophobicContact CD2-CD2 3.99Å; Y294-L323 HydrophobicContact CD2-CD2 4.41Å; Y294-L323 HydrophobicContact CE2-CD2 3.79Å; Y294-L323 PolarHBondContact OH-O 3.33Å; M297-L323 HydrophobicContact CE-CD2 4.2Å; V301-L323 HydrophobicContact CB-CD1 4.19Å; V301-L323 HydrophobicContact CG1-CD1 4.07Å; V301-L323 HydrophobicContact CG2-CD1 4.12Å; T319-L323 WeakPolarHBondContact O-CG 3.41Å; T319-L323 PolarHBondContact O-N 3.17Å; T320-L323 PolarHBondContact O-N 3.32Å; L323-A325 PolarHBondContact O-N 3.5Å; L323-F326 PolarHBondContact O-N 2.93Å; L323-D327 PolarHBondContact O-N 3.47Å; L323-F331 HydrophobicContact CB-CD2 4.14Å; L323-F331 HydrophobicContact CB-CE2 4.12Å |
| 324 | A | 82.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.7 | -34 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T320 T321 P328 F331 M367 | T320-A324 PolarHBondContact O-N 3.11Å; T320-A324 VanDerWaalsContact O-N 3.11Å; T321-A324 PolarHBondContact O-N 2.9Å; A324-P328 WeakPolarHBondContact O-CA 3.39Å; A324-F331 HydrophobicContact CB-CD1 3.78Å; A324-F331 HydrophobicContact CB-CD2 4.41Å; A324-F331 HydrophobicContact CB-CE1 3.78Å; A324-F331 HydrophobicContact CB-CE2 4.41Å; A324-F331 HydrophobicContact CB-CG 4.11Å; A324-F331 HydrophobicContact CB-CZ 4.1Å; A324-M367 HydrophobicContact CB-CG 4.49Å |
| 325 | A | 81.2 | Confident | 80.5 | Confident | 15 Ų | 15 | 35.8 Ų | 35.8 | 12% | 0.124 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -82.2 | -21.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N226 W229 T321 R322 L323 A366 | N226-A325 PolarHBondContact ND2-O 3.26Å; W229-A325 HydrophobicContact CB-CB 4.36Å; W229-A325 HydrophobicContact CD2-CB 3.38Å; W229-A325 VanDerWaalsContact CE2-CB 3.42Å; W229-A325 HydrophobicContact CE3-CB 3.94Å; W229-A325 HydrophobicContact CG-CB 3.56Å; W229-A325 HydrophobicContact CH2-CB 4.47Å; W229-A325 HydrophobicContact CZ2-CB 4Å; W229-A325 HydrophobicContact CZ3-CB 4.44Å; T321-A325 PolarHBondContact O-N 3.07Å; R322-A325 PolarHBondContact O-N 3.27Å; L323-A325 PolarHBondContact O-N 3.5Å; A325-A366 HydrophobicContact CB-CB 4.02Å |
| 326 | F | 83 | Confident | 80.3 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 7% | 0.066 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -74.4 | -50.2 | -178.2 | -174 | -97.4 | 0 | 0 | 0 | 112.1 | L222 A225 N226 R287 L290 Y294 R322 L323 | L222-F326 HydrophobicContact CD2-CB 4.28Å; L222-F326 HydrophobicContact CD2-CD2 4.31Å; L222-F326 HydrophobicContact CD2-CG 4.15Å; A225-F326 HydrophobicContact CB-CD2 4.38Å; A225-F326 HydrophobicContact CB-CE2 3.6Å; A225-F326 HydrophobicContact CB-CZ 4.37Å; N226-F326 HydrophobicContact CB-CD2 4.16Å; R287-F326 HydrophobicContact CB-CZ 4.49Å; R287-F326 HydrophobicContact CG-CE2 3.85Å; R287-F326 HydrophobicContact CG-CZ 3.74Å; L290-F326 HydrophobicContact CB-CE1 4.39Å; L290-F326 HydrophobicContact CB-CZ 4.11Å; Y294-F326 AromaticContact CD2-CD1 3.86Å; Y294-F326 HydrophobicContact CD2-CD1 3.86Å; Y294-F326 HydrophobicContact CD2-CE1 4.27Å; Y294-F326 HydrophobicContact CE2-CB 4.44Å; Y294-F326 AromaticContact CE2-CD1 3.75Å; Y294-F326 HydrophobicContact CE2-CD1 3.75Å; R322-F326 WeakPolarHBondContact O-CB 3.38Å; R322-F326 PolarHBondContact O-N 2.9Å; L323-F326 PolarHBondContact O-N 2.93Å |
| 327 | D | 82.5 | Confident | 80.1 | Confident | 35 Ų | 35 | 39.3 Ų | 39.3 | 19% | 0.187 | 21% | 0.208 | C | C | . | . | trans | -140.4 | 91.7 | 173.1 | -168.1 | -21.8 | 0 | 0 | 0 | 110.1 | Y294 L323 E329 R330 F331 | Y294-D327 HydrophobicContact CE1-CB 4.14Å; Y294-D327 HydrophobicContact CE2-CB 4.17Å; Y294-D327 PolarHBondContact OH-O 3.32Å; L323-D327 PolarHBondContact O-N 3.47Å; D327-E329 VanDerWaalsContact C-N 3.31Å; D327-E329 PolarHBondContact O-N 2.86Å; D327-E329 PolarHBondContact OD1-N 3.31Å; D327-R330 HydrophobicContact CB-CB 4.45Å; D327-R330 PolarHBondContact OD1-N 3.35Å; D327-R330 VanDerWaalsContact OD2-CD 3.28Å; D327-R330 WeakPolarHBondContact OD2-CD 3.22Å; D327-R330 WeakPolarHBondContact OD2-CG 3.29Å; D327-R330 IonicContact OD2-NE 3.89Å; D327-F331 VanDerWaalsContact O-CB 3.32Å; D327-F331 WeakPolarHBondContact O-CB 3.34Å; D327-F331 PolarHBondContact O-N 3.04Å; D327-F331 VanDerWaalsContact O-N 3.09Å | ||
| 328 | P | 78 | Confident | 79.8 | Confident | 48 Ų | 48 | 45 Ų | 45 | 31% | 0.312 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.8 | -39.7 | -177.5 | -26.8 | 35.5 | 0 | 0 | 0 | 113.4 | A324 L332 M367 | A324-P328 WeakPolarHBondContact O-CA 3.39Å; P328-L332 WeakPolarHBondContact O-CD1 3.37Å; P328-L332 WeakPolarHBondContact O-CG 3.31Å; P328-L332 PolarHBondContact O-N 3.35Å; P328-L332 VanDerWaalsContact O-N 3.15Å; P328-M367 HydrophobicContact CB-CE 3.69Å |
| 329 | E | 79.6 | Confident | 79.5 | Confident | 155 Ų | 155 | 41.3 Ų | 41.3 | 72% | 0.724 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -73.7 | -44.3 | -173.3 | -67.4 | -139.4 | 163.9 | 0 | 0 | 112 | D327 F331 L332 T333 | D327-E329 VanDerWaalsContact C-N 3.31Å; D327-E329 PolarHBondContact O-N 2.86Å; D327-E329 PolarHBondContact OD1-N 3.31Å; E329-F331 VanDerWaalsContact C-N 3.34Å; E329-L332 WeakPolarHBondContact O-CB 3.19Å; E329-L332 PolarHBondContact O-N 3.22Å; E329-T333 PolarHBondContact O-N 3.43Å |
| 330 | R | 77.5 | Confident | 79.2 | Confident | 102 Ų | 102 | 41.4 Ų | 41.4 | 39% | 0.385 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.6 | -30.9 | 175.9 | -71.3 | -174.5 | 177.8 | 172.9 | -5.7 | 112.8 | T291 Y294 D327 L332 T333 L334 | T291-R330 PolarHBondContact O-NH1 3.43Å; T291-R330 VanDerWaalsContact O-NH1 3.13Å; Y294-R330 HydrophobicContact CD1-CB 3.85Å; Y294-R330 HydrophobicContact CE1-CB 3.58Å; D327-R330 HydrophobicContact CB-CB 4.45Å; D327-R330 PolarHBondContact OD1-N 3.35Å; D327-R330 VanDerWaalsContact OD2-CD 3.28Å; D327-R330 WeakPolarHBondContact OD2-CD 3.22Å; D327-R330 WeakPolarHBondContact OD2-CG 3.29Å; D327-R330 IonicContact OD2-NE 3.89Å; R330-L332 VanDerWaalsContact C-N 3.33Å; R330-T333 PolarHBondContact O-N 3.31Å; R330-T333 PolarHBondContact O-OG1 3.22Å; R330-L334 WeakPolarHBondContact O-CG 3.38Å; R330-L334 PolarHBondContact O-N 3.1Å |
| 331 | F | 79.5 | Confident | 79.1 | Confident | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -39 | 175.6 | -171.5 | -98.6 | 0 | 0 | 0 | 111.9 | T320 L323 A324 D327 E329 T333 L334 N335 F336 M367 | T320-F331 HydrophobicContact CG2-CE2 4.43Å; T320-F331 HydrophobicContact CG2-CZ 3.97Å; L323-F331 HydrophobicContact CB-CD2 4.14Å; L323-F331 HydrophobicContact CB-CE2 4.12Å; A324-F331 HydrophobicContact CB-CD1 3.78Å; A324-F331 HydrophobicContact CB-CD2 4.41Å; A324-F331 HydrophobicContact CB-CE1 3.78Å; A324-F331 HydrophobicContact CB-CE2 4.41Å; A324-F331 HydrophobicContact CB-CG 4.11Å; A324-F331 HydrophobicContact CB-CZ 4.1Å; D327-F331 VanDerWaalsContact O-CB 3.32Å; D327-F331 WeakPolarHBondContact O-CB 3.34Å; D327-F331 PolarHBondContact O-N 3.04Å; D327-F331 VanDerWaalsContact O-N 3.09Å; E329-F331 VanDerWaalsContact C-N 3.34Å; F331-T333 VanDerWaalsContact C-N 3.31Å; F331-T333 PolarHBondContact O-N 3.23Å; F331-L334 PolarHBondContact O-N 3.23Å; F331-N335 HydrophobicContact CE2-CB 4.2Å; F331-N335 PolarHBondContact O-N 3.35Å; F331-N335 VanDerWaalsContact O-N 3.13Å; F331-F336 HydrophobicContact CD1-CB 4.4Å; F331-F336 HydrophobicContact CD1-CD2 4.34Å; F331-F336 HydrophobicContact CE1-CB 4.44Å; F331-F336 HydrophobicContact CE1-CD2 4.26Å; F331-F336 PolarHBondContact O-N 3.43Å; F331-M367 HydrophobicContact CD1-SD 4.16Å |
| 332 | L | 75.4 | Confident | 79 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.5 | -44.2 | 174.7 | -87.3 | 157 | 0 | 0 | 0 | 112.3 | P328 E329 R330 F336 M367 H370 | P328-L332 WeakPolarHBondContact O-CD1 3.37Å; P328-L332 WeakPolarHBondContact O-CG 3.31Å; P328-L332 PolarHBondContact O-N 3.35Å; P328-L332 VanDerWaalsContact O-N 3.15Å; E329-L332 WeakPolarHBondContact O-CB 3.19Å; E329-L332 PolarHBondContact O-N 3.22Å; R330-L332 VanDerWaalsContact C-N 3.33Å; L332-F336 HydrophobicContact CD2-CB 4.41Å; L332-F336 HydrophobicContact CD2-CD1 4.05Å; L332-F336 HydrophobicContact CD2-CD2 4.1Å; L332-F336 HydrophobicContact CD2-CE1 4.32Å; L332-F336 HydrophobicContact CD2-CE2 4.37Å; L332-F336 HydrophobicContact CD2-CG 3.93Å; L332-F336 HydrophobicContact CD2-CZ 4.48Å; L332-M367 HydrophobicContact CD1-CE 3.64Å; L332-M367 HydrophobicContact CD2-CE 4.43Å; L332-M367 HydrophobicContact CD2-SD 4.46Å; L332-M367 HydrophobicContact CG-CE 3.79Å; L332-M367 HydrophobicContact CG-SD 4.14Å; L332-H370 HydrophobicContact CD2-CB 3.94Å |
| 333 | T | 78.5 | Confident | 78.7 | Confident | 116 Ų | 116 | 45.8 Ų | 45.8 | 71% | 0.712 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -74.8 | -33.1 | -177.1 | 49.3 | 0 | 0 | 0 | 0 | 113.8 | E329 R330 F331 | E329-T333 PolarHBondContact O-N 3.43Å; R330-T333 PolarHBondContact O-N 3.31Å; R330-T333 PolarHBondContact O-OG1 3.22Å; F331-T333 VanDerWaalsContact C-N 3.31Å; F331-T333 PolarHBondContact O-N 3.23Å |
| 334 | L | 74 | Confident | 78.4 | Confident | 75 Ų | 75 | 47 Ų | 47 | 39% | 0.393 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -94.4 | -46 | -169.1 | -68.7 | 164.7 | 0 | 0 | 0 | 113.7 | E295 C298 R330 F331 | E295-L334 HydrophobicContact CG-CD1 4.08Å; C298-L334 HydrophobicContact CB-CD1 4.21Å; R330-L334 WeakPolarHBondContact O-CG 3.38Å; R330-L334 PolarHBondContact O-N 3.1Å; F331-L334 PolarHBondContact O-N 3.23Å |
| 335 | N | 73.7 | Confident | 78.3 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140 | -3.8 | -159.7 | -84.8 | -23.7 | 0 | 0 | 0 | 116 | C298 S302 R305 F331 A337 S339 | C298-N335 WeakPolarHBondContact CB-ND2 3.45Å; C298-N335 PolarHBondContact O-ND2 3.42Å; S302-N335 PolarHBondContact OG-ND2 3.2Å; S302-N335 PolarHBondContact OG-OD1 3.35Å; R305-N335 PolarHBondContact NH2-O 2.69Å; F331-N335 HydrophobicContact CE2-CB 4.2Å; F331-N335 PolarHBondContact O-N 3.35Å; F331-N335 VanDerWaalsContact O-N 3.13Å; N335-A337 PolarHBondContact O-N 3Å; N335-S339 WeakPolarHBondContact O-CB 3.39Å; N335-S339 PolarHBondContact O-N 3.14Å; N335-S339 PolarHBondContact O-OG 3.11Å |
| 336 | F | 76.5 | Confident | 78 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.2 | -54.9 | -167.2 | 177.5 | -104 | 0 | 0 | 0 | 114.8 | F331 L332 E338 S339 V340 M367 H370 M371 Y374 | F331-F336 HydrophobicContact CD1-CB 4.4Å; F331-F336 HydrophobicContact CD1-CD2 4.34Å; F331-F336 HydrophobicContact CE1-CB 4.44Å; F331-F336 HydrophobicContact CE1-CD2 4.26Å; F331-F336 PolarHBondContact O-N 3.43Å; L332-F336 HydrophobicContact CD2-CB 4.41Å; L332-F336 HydrophobicContact CD2-CD1 4.05Å; L332-F336 HydrophobicContact CD2-CD2 4.1Å; L332-F336 HydrophobicContact CD2-CE1 4.32Å; L332-F336 HydrophobicContact CD2-CE2 4.37Å; L332-F336 HydrophobicContact CD2-CG 3.93Å; L332-F336 HydrophobicContact CD2-CZ 4.48Å; F336-E338 VanDerWaalsContact C-N 3.35Å; F336-E338 PolarHBondContact O-N 3.49Å; F336-S339 PolarHBondContact O-N 2.95Å; F336-V340 HydrophobicContact CD2-CG2 4.07Å; F336-V340 HydrophobicContact CE1-CG2 4.41Å; F336-V340 HydrophobicContact CE2-CG2 3.82Å; F336-V340 HydrophobicContact CG-CG2 4.47Å; F336-V340 HydrophobicContact CZ-CG2 4Å; F336-V340 VanDerWaalsContact O-CG2 3.3Å; F336-V340 WeakPolarHBondContact O-CG2 3.43Å; F336-V340 PolarHBondContact O-N 3.3Å; F336-M367 HydrophobicContact CD2-SD 3.64Å; F336-M367 HydrophobicContact CE2-CG 4.2Å; F336-M367 HydrophobicContact CE2-SD 3.63Å; F336-H370 HydrophobicContact CZ-CB 4.29Å; F336-M371 HydrophobicContact CE2-CG 4.2Å; F336-M371 HydrophobicContact CE2-SD 3.83Å; F336-M371 HydrophobicContact CZ-CG 4.23Å; F336-M371 HydrophobicContact CZ-SD 3.7Å; F336-Y374 HydrophobicContact CE1-CE2 4.29Å; F336-Y374 HydrophobicContact CZ-CE2 4.45Å |
| 337 | A | 77.3 | Confident | 77.6 | Confident | 66 Ų | 66 | 48.4 Ų | 48.4 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N335 S341 | N335-A337 PolarHBondContact O-N 3Å; A337-S341 PolarHBondContact O-N 3.5Å; A337-S341 VanDerWaalsContact O-N 3.11Å |
| 338 | E | 74.2 | Confident | 77.2 | Confident | 122 Ų | 122 | 50.7 Ų | 50.7 | 57% | 0.57 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -73.5 | -37.6 | 179.8 | -61.8 | -177 | 160.3 | 0 | 0 | 112.1 | R305 F336 S341 F342 | R305-E338 IonicContact CZ-OE2 2.83Å; R305-E338 IonicContact NH1-OE2 3.58Å; R305-E338 PolarHBondContact NH1-OE2 2.9Å; F336-E338 VanDerWaalsContact C-N 3.35Å; F336-E338 PolarHBondContact O-N 3.49Å; E338-S341 PolarHBondContact O-N 3.15Å; E338-F342 WeakPolarHBondContact O-CB 3.37Å; E338-F342 PolarHBondContact O-N 3.38Å |
| 339 | S | 75.6 | Confident | 77.1 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -42.7 | 174.4 | -80.8 | 0 | 0 | 0 | 0 | 112.1 | R305 T320 N335 F336 F342 V343 | R305-S339 PolarHBondContact NH2-OG 2.98Å; T320-S339 WeakPolarHBondContact CG2-OG 3.42Å; N335-S339 WeakPolarHBondContact O-CB 3.39Å; N335-S339 PolarHBondContact O-N 3.14Å; N335-S339 PolarHBondContact O-OG 3.11Å; F336-S339 PolarHBondContact O-N 2.95Å; S339-F342 PolarHBondContact O-N 3.06Å; S339-V343 VanDerWaalsContact O-CG2 3.27Å; S339-V343 WeakPolarHBondContact O-CG2 3.25Å; S339-V343 PolarHBondContact O-N 2.96Å |
| 340 | V | 78 | Confident | 76.4 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 177 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | F336 F342 V343 L344 L363 M371 Y374 | F336-V340 HydrophobicContact CD2-CG2 4.07Å; F336-V340 HydrophobicContact CE1-CG2 4.41Å; F336-V340 HydrophobicContact CE2-CG2 3.82Å; F336-V340 HydrophobicContact CG-CG2 4.47Å; F336-V340 HydrophobicContact CZ-CG2 4Å; F336-V340 VanDerWaalsContact O-CG2 3.3Å; F336-V340 WeakPolarHBondContact O-CG2 3.43Å; F336-V340 PolarHBondContact O-N 3.3Å; V340-F342 VanDerWaalsContact C-N 3.34Å; V340-F342 PolarHBondContact O-N 3.22Å; V340-V343 PolarHBondContact O-N 3.42Å; V340-L344 HydrophobicContact CG1-CD1 3.71Å; V340-L344 HydrophobicContact CG1-CG 4.25Å; V340-L344 WeakPolarHBondContact O-CB 3.42Å; V340-L344 WeakPolarHBondContact O-CG 3.29Å; V340-L344 PolarHBondContact O-N 2.83Å; V340-L363 HydrophobicContact CG2-CD2 4.35Å; V340-M371 HydrophobicContact CG1-CE 4.38Å; V340-M371 HydrophobicContact CG1-SD 4.36Å; V340-M371 HydrophobicContact CG2-CE 4.07Å; V340-M371 HydrophobicContact CG2-SD 3.71Å; V340-Y374 HydrophobicContact CG1-CD1 4.07Å; V340-Y374 HydrophobicContact CG1-CD2 4.5Å; V340-Y374 HydrophobicContact CG1-CE1 3.96Å; V340-Y374 HydrophobicContact CG1-CE2 4.41Å; V340-Y374 HydrophobicContact CG1-CG 4.34Å |
| 341 | S | 81.3 | Confident | 76 | Confident | 78 Ų | 78 | 59.7 Ų | 59.7 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 175.4 | -172.4 | 0 | 0 | 0 | 0 | 112.3 | A337 E338 S345 | A337-S341 PolarHBondContact O-N 3.5Å; A337-S341 VanDerWaalsContact O-N 3.11Å; E338-S341 PolarHBondContact O-N 3.15Å; S341-S345 VanDerWaalsContact O-CB 3.31Å; S341-S345 WeakPolarHBondContact O-CB 3.5Å; S341-S345 PolarHBondContact O-N 3.12Å; S341-S345 PolarHBondContact O-OG 3.42Å |
| 342 | F | 81.6 | Confident | 75.6 | Confident | 33 Ų | 33 | 60.6 Ų | 60.6 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62 | -51.7 | 177.7 | 175.9 | -103.4 | 0 | 0 | 0 | 111.5 | R305 I313 L316 L317 E338 S339 V340 L344 S345 G346 | R305-F342 HydrophobicContact CB-CD2 4.38Å; R305-F342 HydrophobicContact CB-CE2 4.43Å; I313-F342 HydrophobicContact CG2-CZ 4.1Å; L316-F342 HydrophobicContact CD2-CE1 3.86Å; L316-F342 HydrophobicContact CD2-CZ 3.76Å; L317-F342 HydrophobicContact CD2-CD1 4.13Å; L317-F342 HydrophobicContact CD2-CE1 3.75Å; L317-F342 HydrophobicContact CG-CE1 4.27Å; E338-F342 WeakPolarHBondContact O-CB 3.37Å; E338-F342 PolarHBondContact O-N 3.38Å; S339-F342 PolarHBondContact O-N 3.06Å; V340-F342 VanDerWaalsContact C-N 3.34Å; V340-F342 PolarHBondContact O-N 3.22Å; F342-L344 PolarHBondContact O-N 3.29Å; F342-S345 PolarHBondContact O-N 3.18Å; F342-S345 PolarHBondContact O-OG 3.27Å; F342-G346 PolarHBondContact O-N 3.49Å |
| 343 | V | 78.9 | Confident | 75.8 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | -179.7 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | L317 S339 V340 S345 G346 A359 T360 L363 | L317-V343 HydrophobicContact CD2-CB 4.41Å; L317-V343 HydrophobicContact CD2-CG2 3.79Å; S339-V343 VanDerWaalsContact O-CG2 3.27Å; S339-V343 WeakPolarHBondContact O-CG2 3.25Å; S339-V343 PolarHBondContact O-N 2.96Å; V340-V343 PolarHBondContact O-N 3.42Å; V343-S345 PolarHBondContact O-N 2.82Å; V343-G346 PolarHBondContact O-N 3.18Å; V343-A359 HydrophobicContact CG1-CB 4.25Å; V343-T360 VanDerWaalsContact CG1-OG1 3.25Å; V343-T360 WeakPolarHBondContact CG1-OG1 3.38Å; V343-L363 HydrophobicContact CG1-CD1 4.46Å; V343-L363 HydrophobicContact CG2-CD1 3.9Å |
| 344 | L | 78.7 | Confident | 75.6 | Confident | 28 Ų | 28 | 56.9 Ų | 56.9 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.5 | -35 | 179 | -68 | 178.2 | 0 | 0 | 0 | 112.9 | V340 F342 G346 I347 T360 Y374 V378 | V340-L344 HydrophobicContact CG1-CD1 3.71Å; V340-L344 HydrophobicContact CG1-CG 4.25Å; V340-L344 WeakPolarHBondContact O-CB 3.42Å; V340-L344 WeakPolarHBondContact O-CG 3.29Å; V340-L344 PolarHBondContact O-N 2.83Å; F342-L344 PolarHBondContact O-N 3.29Å; L344-G346 PolarHBondContact O-N 3.42Å; L344-I347 HydrophobicContact CD2-CD1 3.86Å; L344-I347 PolarHBondContact O-N 3.48Å; L344-T360 HydrophobicContact CD2-CG2 4.1Å; L344-Y374 HydrophobicContact CD1-CD1 4.24Å; L344-V378 HydrophobicContact CD2-CG2 3.55Å |
| 345 | S | 80.4 | Confident | 75.6 | Confident | 52 Ų | 52 | 55.8 Ų | 55.8 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.1 | -28.3 | 175.6 | 77.7 | 0 | 0 | 0 | 0 | 112.7 | S341 F342 V343 I347 S348 | S341-S345 VanDerWaalsContact O-CB 3.31Å; S341-S345 WeakPolarHBondContact O-CB 3.5Å; S341-S345 PolarHBondContact O-N 3.12Å; S341-S345 PolarHBondContact O-OG 3.42Å; F342-S345 PolarHBondContact O-N 3.18Å; F342-S345 PolarHBondContact O-OG 3.27Å; V343-S345 PolarHBondContact O-N 2.82Å; S345-I347 VanDerWaalsContact C-N 3.34Å; S345-I347 PolarHBondContact O-N 3.47Å; S345-S348 PolarHBondContact O-N 3.13Å |
| 346 | G | 74.5 | Confident | 76 | Confident | 3 Ų | 3 | 55 Ų | 55 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68 | -28 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | F342 V343 L344 S348 R349 S356 | F342-G346 PolarHBondContact O-N 3.49Å; V343-G346 PolarHBondContact O-N 3.18Å; L344-G346 PolarHBondContact O-N 3.42Å; G346-S348 PolarHBondContact O-N 2.95Å; G346-R349 PolarHBondContact O-N 3.3Å; G346-S356 WeakPolarHBondContact CA-OG 3.44Å |
| 347 | I | 74.5 | Confident | 76.3 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.2 | -31.3 | 179.1 | -59.5 | 174.8 | 0 | 0 | 0 | 111.6 | L344 S345 R349 R353 L357 | L344-I347 HydrophobicContact CD2-CD1 3.86Å; L344-I347 PolarHBondContact O-N 3.48Å; S345-I347 VanDerWaalsContact C-N 3.34Å; S345-I347 PolarHBondContact O-N 3.47Å; I347-R349 VanDerWaalsContact C-N 3.29Å; I347-R349 PolarHBondContact O-N 3.23Å; I347-R353 PolarHBondContact O-NE 3.04Å; I347-L357 HydrophobicContact CD1-CD2 4.4Å; I347-L357 HydrophobicContact CG1-CD2 4.39Å; I347-L357 HydrophobicContact CG2-CD2 4.04Å; I347-L357 HydrophobicContact CG2-CG 4.49Å |
| 348 | S | 73.8 | Confident | 76.5 | Confident | 83 Ų | 83 | 52.1 Ų | 52.1 | 58% | 0.58 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -16.1 | -179.9 | -58.3 | 0 | 0 | 0 | 0 | 113.3 | S345 G346 | S345-S348 PolarHBondContact O-N 3.13Å; G346-S348 PolarHBondContact O-N 2.95Å |
| 349 | R | 74.7 | Confident | 76.9 | Confident | 140 Ų | 140 | 46.6 Ų | 46.6 | 53% | 0.528 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -99.7 | 116.6 | -174.3 | -64.2 | 179.6 | 177.9 | 174.6 | 0.5 | 111.1 | G346 I347 K351 Q352 R353 | G346-R349 PolarHBondContact O-N 3.3Å; I347-R349 VanDerWaalsContact C-N 3.29Å; I347-R349 PolarHBondContact O-N 3.23Å; R349-K351 VanDerWaalsContact C-N 3.35Å; R349-K351 PolarHBondContact O-N 3.13Å; R349-Q352 HydrophobicContact CB-CB 4.45Å; R349-Q352 PolarHBondContact O-N 2.91Å; R349-R353 WeakPolarHBondContact O-CB 3.47Å; R349-R353 PolarHBondContact O-N 3.13Å |
| 350 | E | 66.3 | Low | 77.3 | Confident | 158 Ų | 158 | 46.6 Ų | 46.6 | 74% | 0.738 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -50.8 | -45.1 | -174.6 | -80.7 | -177 | 158 | 0 | 0 | 114.8 | Q352 | E350-Q352 VanDerWaalsContact C-N 3.26Å; E350-Q352 PolarHBondContact O-N 3.24Å |
| 351 | K | 68.4 | Low | 77.4 | Confident | 196 Ų | 196 | 46.4 Ų | 46.4 | 85% | 0.852 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -71 | -16.9 | -177.3 | -67.6 | -170.4 | 177.1 | -175.2 | 0 | 114.8 | R349 | R349-K351 VanDerWaalsContact C-N 3.35Å; R349-K351 PolarHBondContact O-N 3.13Å |
| 352 | Q | 72.2 | Confident | 77.6 | Confident | 21 Ų | 21 | 43.1 Ų | 43.1 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -117 | -1.9 | -175.4 | -68.1 | 174.7 | -7.7 | 0 | 0 | 112.3 | I313 R349 E350 S354 E355 S356 | I313-Q352 HydrophobicContact CG2-CG 4.45Å; R349-Q352 HydrophobicContact CB-CB 4.45Å; R349-Q352 PolarHBondContact O-N 2.91Å; E350-Q352 VanDerWaalsContact C-N 3.26Å; E350-Q352 PolarHBondContact O-N 3.24Å; Q352-S354 PolarHBondContact O-N 3.26Å; Q352-E355 PolarHBondContact O-N 3.45Å; Q352-S356 VanDerWaalsContact O-CB 3.23Å; Q352-S356 WeakPolarHBondContact O-CB 3.48Å; Q352-S356 PolarHBondContact O-N 3.36Å; Q352-S356 PolarHBondContact O-OG 2.85Å |
| 353 | R | 79.4 | Confident | 77.7 | Confident | 48 Ų | 48 | 41.6 Ų | 41.6 | 18% | 0.181 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -49.3 | -169.3 | -177.6 | 179.3 | -64.9 | 147.6 | 0.5 | 111.7 | I347 R349 E355 S356 L357 | I347-R353 PolarHBondContact O-NE 3.04Å; R349-R353 WeakPolarHBondContact O-CB 3.47Å; R349-R353 PolarHBondContact O-N 3.13Å; R353-E355 PolarHBondContact O-N 3.16Å; R353-S356 PolarHBondContact O-N 3.27Å; R353-L357 HydrophobicContact CG-CD1 3.77Å; R353-L357 HydrophobicContact CG-CG 4.29Å; R353-L357 WeakPolarHBondContact O-CB 3.34Å; R353-L357 VanDerWaalsContact O-CG 3.23Å; R353-L357 WeakPolarHBondContact O-CG 3.22Å; R353-L357 PolarHBondContact O-N 3.41Å |
| 354 | S | 74.4 | Confident | 78 | Confident | 38 Ų | 38 | 41.4 Ų | 41.4 | 27% | 0.266 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -55.3 | -51.4 | -179.5 | 52 | 0 | 0 | 0 | 0 | 112 | Q352 L357 L358 D400 S402 | Q352-S354 PolarHBondContact O-N 3.26Å; S354-L357 PolarHBondContact O-N 3.01Å; S354-L358 WeakPolarHBondContact O-CB 3.36Å; S354-L358 PolarHBondContact O-N 3.16Å; S354-L358 VanDerWaalsContact O-N 3.11Å; S354-D400 PolarHBondContact N-OD2 3.21Å; S354-S402 WeakPolarHBondContact CB-OG 3.34Å |
| 355 | E | 74 | Confident | 78.2 | Confident | 51 Ų | 51 | 40.9 Ų | 40.9 | 24% | 0.238 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.1 | -36.8 | -179.6 | -70 | 163 | -174 | 0 | 0 | 112.9 | Q314 L317 Q352 R353 L358 A359 | Q314-E355 WeakPolarHBondContact CB-OE2 3.24Å; Q314-E355 HydrophobicContact CG-CG 4.35Å; Q314-E355 WeakPolarHBondContact CG-OE1 3.25Å; Q314-E355 WeakPolarHBondContact CG-OE2 3.5Å; Q314-E355 PolarHBondContact NE2-OE1 3.38Å; L317-E355 HydrophobicContact CD1-CB 4.15Å; Q352-E355 PolarHBondContact O-N 3.45Å; R353-E355 PolarHBondContact O-N 3.16Å; E355-L358 PolarHBondContact O-N 3.15Å; E355-A359 WeakPolarHBondContact O-CB 3.08Å; E355-A359 PolarHBondContact O-N 3.47Å |
| 356 | S | 81.9 | Confident | 78.2 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.6 | -38.4 | 177.6 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | G346 Q352 R353 T360 | G346-S356 WeakPolarHBondContact CA-OG 3.44Å; Q352-S356 VanDerWaalsContact O-CB 3.23Å; Q352-S356 WeakPolarHBondContact O-CB 3.48Å; Q352-S356 PolarHBondContact O-N 3.36Å; Q352-S356 PolarHBondContact O-OG 2.85Å; R353-S356 PolarHBondContact O-N 3.27Å; S356-T360 WeakPolarHBondContact O-CB 3.41Å; S356-T360 PolarHBondContact O-N 2.87Å; S356-T360 PolarHBondContact O-OG1 3.48Å |
| 357 | L | 82.5 | Confident | 78.5 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 173.7 | -77.4 | 168.8 | 0 | 0 | 0 | 111 | I347 R353 S354 T360 G361 L382 L403 C406 | I347-L357 HydrophobicContact CD1-CD2 4.4Å; I347-L357 HydrophobicContact CG1-CD2 4.39Å; I347-L357 HydrophobicContact CG2-CD2 4.04Å; I347-L357 HydrophobicContact CG2-CG 4.49Å; R353-L357 HydrophobicContact CG-CD1 3.77Å; R353-L357 HydrophobicContact CG-CG 4.29Å; R353-L357 WeakPolarHBondContact O-CB 3.34Å; R353-L357 VanDerWaalsContact O-CG 3.23Å; R353-L357 WeakPolarHBondContact O-CG 3.22Å; R353-L357 PolarHBondContact O-N 3.41Å; S354-L357 PolarHBondContact O-N 3.01Å; L357-T360 WeakPolarHBondContact O-CB 3.19Å; L357-T360 PolarHBondContact O-N 2.62Å; L357-G361 PolarHBondContact O-N 2.85Å; L357-L382 HydrophobicContact CD2-CD2 3.67Å; L357-L403 HydrophobicContact CD1-CB 4.13Å; L357-C406 HydrophobicContact CB-CB 4.32Å; L357-C406 PolarHBondContact O-SG 3.48Å |
| 358 | L | 81.4 | Confident | 78.8 | Confident | 29 Ų | 29 | 44.8 Ų | 44.8 | 15% | 0.152 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67 | -43.9 | 179.4 | -150.3 | 147.5 | 0 | 0 | 0 | 111.2 | N240 S354 E355 T360 G361 L362 | N240-L358 WeakPolarHBondContact ND2-CD1 3.37Å; S354-L358 WeakPolarHBondContact O-CB 3.36Å; S354-L358 PolarHBondContact O-N 3.16Å; S354-L358 VanDerWaalsContact O-N 3.11Å; E355-L358 PolarHBondContact O-N 3.15Å; L358-T360 VanDerWaalsContact C-N 3.32Å; L358-T360 PolarHBondContact O-N 2.65Å; L358-G361 PolarHBondContact O-N 2.87Å; L358-L362 HydrophobicContact CD2-CD1 3.76Å; L358-L362 HydrophobicContact CD2-CG 4.22Å; L358-L362 WeakPolarHBondContact O-CG 3Å; L358-L362 PolarHBondContact O-N 3.49Å |
| 359 | A | 81.7 | Confident | 78.9 | Confident | 6 Ų | 6 | 49 Ų | 49 | 5% | 0.05 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.1 | -39.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L317 T321 V343 E355 L362 L363 | L317-A359 HydrophobicContact CB-CB 4.2Å; L317-A359 HydrophobicContact CD2-CB 4.4Å; T321-A359 HydrophobicContact CG2-CB 3.84Å; T321-A359 WeakPolarHBondContact CG2-O 3.46Å; V343-A359 HydrophobicContact CG1-CB 4.25Å; E355-A359 WeakPolarHBondContact O-CB 3.08Å; E355-A359 PolarHBondContact O-N 3.47Å; A359-L362 PolarHBondContact O-N 3.3Å; A359-L363 WeakPolarHBondContact O-CB 3.13Å; A359-L363 PolarHBondContact O-N 3.48Å |
| 360 | T | 84.7 | Confident | 78.9 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -48.5 | 175.5 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | V343 L344 S356 L357 L358 L362 L363 F364 V378 | V343-T360 VanDerWaalsContact CG1-OG1 3.25Å; V343-T360 WeakPolarHBondContact CG1-OG1 3.38Å; L344-T360 HydrophobicContact CD2-CG2 4.1Å; S356-T360 WeakPolarHBondContact O-CB 3.41Å; S356-T360 PolarHBondContact O-N 2.87Å; S356-T360 PolarHBondContact O-OG1 3.48Å; L357-T360 WeakPolarHBondContact O-CB 3.19Å; L357-T360 PolarHBondContact O-N 2.62Å; L358-T360 VanDerWaalsContact C-N 3.32Å; L358-T360 PolarHBondContact O-N 2.65Å; T360-L362 PolarHBondContact O-N 3.11Å; T360-L363 WeakPolarHBondContact O-CB 3.14Å; T360-L363 PolarHBondContact O-N 3.33Å; T360-F364 HydrophobicContact CG2-CD2 3.9Å; T360-F364 HydrophobicContact CG2-CE2 3.72Å; T360-F364 VanDerWaalsContact O-CD2 3.24Å; T360-F364 WeakPolarHBondContact O-CD2 3.34Å; T360-F364 PolarHBondContact O-N 3.32Å; T360-V378 HydrophobicContact CG2-CG1 4.23Å; T360-V378 HydrophobicContact CG2-CG2 4.41Å |
| 361 | G | 80.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L357 L358 F364 L365 | L357-G361 PolarHBondContact O-N 2.85Å; L358-G361 PolarHBondContact O-N 2.87Å; G361-F364 PolarHBondContact O-N 3.37Å; G361-L365 PolarHBondContact O-N 2.97Å; G361-L365 VanDerWaalsContact O-N 3.13Å |
| 362 | L | 84 | Confident | 79.9 | Confident | 8 Ų | 8 | 35.3 Ų | 35.3 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.2 | -38.3 | 175 | -71.8 | 176.1 | 0 | 0 | 0 | 112.5 | W229 V233 T321 L358 A359 T360 L365 A366 L409 | W229-L362 WeakPolarHBondContact CH2-O 3.46Å; W229-L362 HydrophobicContact CZ2-CB 4.22Å; W229-L362 HydrophobicContact CZ2-CD2 4.2Å; V233-L362 HydrophobicContact CG1-CD1 4.39Å; V233-L362 HydrophobicContact CG2-CD1 4.37Å; V233-L362 HydrophobicContact CG2-CD2 4.07Å; T321-L362 HydrophobicContact CG2-CB 4.1Å; L358-L362 HydrophobicContact CD2-CD1 3.76Å; L358-L362 HydrophobicContact CD2-CG 4.22Å; L358-L362 WeakPolarHBondContact O-CG 3Å; L358-L362 PolarHBondContact O-N 3.49Å; A359-L362 PolarHBondContact O-N 3.3Å; T360-L362 PolarHBondContact O-N 3.11Å; L362-L365 PolarHBondContact O-N 3.22Å; L362-A366 WeakPolarHBondContact O-CB 3.47Å; L362-A366 PolarHBondContact O-N 3.09Å; L362-L409 HydrophobicContact CD2-CD1 4.48Å |
| 363 | L | 84.5 | Confident | 80.3 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 176.5 | -118.7 | 138.2 | 0 | 0 | 0 | 112.2 | T321 V340 V343 A359 T360 L365 A366 M367 M371 | T321-L363 HydrophobicContact CG2-CD1 4.03Å; T321-L363 HydrophobicContact CG2-CG 4.47Å; V340-L363 HydrophobicContact CG2-CD2 4.35Å; V343-L363 HydrophobicContact CG1-CD1 4.46Å; V343-L363 HydrophobicContact CG2-CD1 3.9Å; A359-L363 WeakPolarHBondContact O-CB 3.13Å; A359-L363 PolarHBondContact O-N 3.48Å; T360-L363 WeakPolarHBondContact O-CB 3.14Å; T360-L363 PolarHBondContact O-N 3.33Å; L363-L365 VanDerWaalsContact C-N 3.34Å; L363-A366 PolarHBondContact O-N 3Å; L363-M367 HydrophobicContact CD2-CG 4.36Å; L363-M367 WeakPolarHBondContact O-CB 3.25Å; L363-M367 PolarHBondContact O-N 3.15Å; L363-M371 HydrophobicContact CB-CE 4.11Å; L363-M371 HydrophobicContact CD2-CE 4.02Å |
| 364 | F | 84.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 171.9 | -87.4 | -72.3 | 0 | 0 | 0 | 112.1 | T360 G361 K368 M371 V375 V378 I410 F414 | T360-F364 HydrophobicContact CG2-CD2 3.9Å; T360-F364 HydrophobicContact CG2-CE2 3.72Å; T360-F364 VanDerWaalsContact O-CD2 3.24Å; T360-F364 WeakPolarHBondContact O-CD2 3.34Å; T360-F364 PolarHBondContact O-N 3.32Å; G361-F364 PolarHBondContact O-N 3.37Å; F364-K368 WeakPolarHBondContact O-CA 3.4Å; F364-K368 PolarHBondContact O-N 3.46Å; F364-M371 HydrophobicContact CD1-CB 3.4Å; F364-M371 HydrophobicContact CD1-CG 4.32Å; F364-M371 HydrophobicContact CD2-CE 4.38Å; F364-M371 HydrophobicContact CE1-CB 3.56Å; F364-M371 VanDerWaalsContact CE1-O 3.31Å; F364-M371 WeakPolarHBondContact CE1-O 3.33Å; F364-M371 HydrophobicContact CE2-CE 4.31Å; F364-M371 HydrophobicContact CG-CB 4.26Å; F364-M371 HydrophobicContact CZ-CB 4.46Å; F364-M371 HydrophobicContact CZ-CE 4.46Å; F364-V375 HydrophobicContact CE1-CG2 3.63Å; F364-V375 HydrophobicContact CZ-CG2 4.22Å; F364-V378 HydrophobicContact CE2-CB 4.26Å; F364-V378 HydrophobicContact CE2-CG1 4.16Å; F364-V378 HydrophobicContact CE2-CG2 3.92Å; F364-V378 HydrophobicContact CZ-CB 4.33Å; F364-V378 HydrophobicContact CZ-CG2 4.01Å; F364-I410 HydrophobicContact CB-CG1 4.23Å; F364-I410 HydrophobicContact CD2-CD1 4Å; F364-I410 HydrophobicContact CD2-CG1 3.73Å; F364-I410 HydrophobicContact CE2-CD1 4.05Å; F364-I410 HydrophobicContact CE2-CG1 4.24Å; F364-I410 HydrophobicContact CG-CG1 3.99Å; F364-F414 HydrophobicContact CD1-CD2 4.49Å; F364-F414 AromaticContact CD1-CE2 3.34Å; F364-F414 HydrophobicContact CD1-CE2 3.34Å; F364-F414 AromaticContact CD1-CZ 3.82Å; F364-F414 HydrophobicContact CD1-CZ 3.82Å; F364-F414 AromaticContact CE1-CE2 3.79Å; F364-F414 HydrophobicContact CE1-CE2 3.79Å; F364-F414 HydrophobicContact CE1-CZ 4.21Å; F364-F414 HydrophobicContact CG-CE2 4.29Å |
| 365 | L | 82.3 | Confident | 80.7 | Confident | 16 Ų | 16 | 38.5 Ų | 38.5 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.2 | -35.6 | 179.2 | -159 | 89.4 | 0 | 0 | 0 | 112.3 | W229 T232 G361 L362 L363 K368 R412 A413 | W229-L365 HydrophobicContact CH2-CB 4.03Å; W229-L365 HydrophobicContact CH2-CD2 3.98Å; W229-L365 HydrophobicContact CH2-CG 4.42Å; W229-L365 HydrophobicContact CZ3-CB 4.45Å; W229-L365 HydrophobicContact CZ3-CD2 3.88Å; W229-L365 HydrophobicContact CZ3-CG 4.4Å; T232-L365 HydrophobicContact CG2-CD2 3.73Å; G361-L365 PolarHBondContact O-N 2.97Å; G361-L365 VanDerWaalsContact O-N 3.13Å; L362-L365 PolarHBondContact O-N 3.22Å; L363-L365 VanDerWaalsContact C-N 3.34Å; L365-K368 WeakPolarHBondContact O-CE 3.23Å; L365-K368 WeakPolarHBondContact O-CG 3.5Å; L365-R412 HydrophobicContact CD1-CB 4.21Å; L365-R412 HydrophobicContact CD1-CG 4.12Å; L365-A413 HydrophobicContact CD1-CB 4.12Å |
| 366 | A | 81.1 | Confident | 81 | Confident | 20 Ų | 20 | 38.8 Ų | 38.8 | 17% | 0.165 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -73.5 | -46.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | W229 A325 L362 L363 | W229-A366 HydrophobicContact CH2-CB 3.66Å; W229-A366 HydrophobicContact CZ2-CB 4.03Å; W229-A366 HydrophobicContact CZ3-CB 4.17Å; A325-A366 HydrophobicContact CB-CB 4.02Å; L362-A366 WeakPolarHBondContact O-CB 3.47Å; L362-A366 PolarHBondContact O-N 3.09Å; L363-A366 PolarHBondContact O-N 3Å |
| 367 | M | 80.9 | Confident | 80.9 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.034 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -95.4 | -15.3 | -171.1 | -67 | -105 | 57.6 | 0 | 0 | 114.3 | A324 P328 F331 L332 F336 L363 K369 H370 M371 | A324-M367 HydrophobicContact CB-CG 4.49Å; P328-M367 HydrophobicContact CB-CE 3.69Å; F331-M367 HydrophobicContact CD1-SD 4.16Å; L332-M367 HydrophobicContact CD1-CE 3.64Å; L332-M367 HydrophobicContact CD2-CE 4.43Å; L332-M367 HydrophobicContact CD2-SD 4.46Å; L332-M367 HydrophobicContact CG-CE 3.79Å; L332-M367 HydrophobicContact CG-SD 4.14Å; F336-M367 HydrophobicContact CD2-SD 3.64Å; F336-M367 HydrophobicContact CE2-CG 4.2Å; F336-M367 HydrophobicContact CE2-SD 3.63Å; L363-M367 HydrophobicContact CD2-CG 4.36Å; L363-M367 WeakPolarHBondContact O-CB 3.25Å; L363-M367 PolarHBondContact O-N 3.15Å; M367-K369 PolarHBondContact O-N 2.86Å; M367-H370 PolarHBondContact O-N 3.49Å; M367-H370 VanDerWaalsContact O-N 3.13Å; M367-M371 HydrophobicContact CB-CG 3.8Å |
| 368 | K | 80.9 | Confident | 80.9 | Confident | 115 Ų | 115 | 45.4 Ų | 45.4 | 50% | 0.5 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | 38.8 | -98 | 178.8 | -59.7 | -174.9 | -178.9 | -179.6 | 0 | 113.4 | F364 L365 H370 M371 F414 | F364-K368 WeakPolarHBondContact O-CA 3.4Å; F364-K368 PolarHBondContact O-N 3.46Å; L365-K368 WeakPolarHBondContact O-CE 3.23Å; L365-K368 WeakPolarHBondContact O-CG 3.5Å; K368-H370 VanDerWaalsContact C-N 3.26Å; K368-H370 PolarHBondContact O-N 3.45Å; K368-H370 VanDerWaalsContact O-N 3.15Å; K368-M371 PolarHBondContact O-N 3.08Å; K368-F414 WeakPolarHBondContact O-CE1 3.3Å; K368-F414 WeakPolarHBondContact O-CZ 3.48Å |
| 369 | K | 75.9 | Confident | 80.8 | Confident | 172 Ų | 172 | 44.2 Ų | 44.2 | 75% | 0.748 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -55.5 | -33.3 | -174.9 | -68 | -174.3 | 177.1 | -178.3 | 0 | 114.1 | M367 | M367-K369 PolarHBondContact O-N 2.86Š|
| 370 | H | 74.5 | Confident | 80.8 | Confident | 95 Ų | 95 | 48.4 Ų | 48.4 | 44% | 0.44 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -82.3 | -16.1 | -174.4 | -61.7 | -77.7 | 0 | 0 | 0 | 114.3 | L332 F336 M367 K368 | L332-H370 HydrophobicContact CD2-CB 3.94Å; F336-H370 HydrophobicContact CZ-CB 4.29Å; M367-H370 PolarHBondContact O-N 3.49Å; M367-H370 VanDerWaalsContact O-N 3.13Å; K368-H370 VanDerWaalsContact C-N 3.26Å; K368-H370 PolarHBondContact O-N 3.45Å; K368-H370 VanDerWaalsContact O-N 3.15Å |
| 371 | M | 76.8 | Confident | 80.5 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.02 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -7.8 | 178.3 | -75.4 | -71.6 | -93.3 | 0 | 0 | 113.3 | F336 V340 L363 F364 M367 K368 P373 Y374 | F336-M371 HydrophobicContact CE2-CG 4.2Å; F336-M371 HydrophobicContact CE2-SD 3.83Å; F336-M371 HydrophobicContact CZ-CG 4.23Å; F336-M371 HydrophobicContact CZ-SD 3.7Å; V340-M371 HydrophobicContact CG1-CE 4.38Å; V340-M371 HydrophobicContact CG1-SD 4.36Å; V340-M371 HydrophobicContact CG2-CE 4.07Å; V340-M371 HydrophobicContact CG2-SD 3.71Å; L363-M371 HydrophobicContact CB-CE 4.11Å; L363-M371 HydrophobicContact CD2-CE 4.02Å; F364-M371 HydrophobicContact CD1-CB 3.4Å; F364-M371 HydrophobicContact CD1-CG 4.32Å; F364-M371 HydrophobicContact CD2-CE 4.38Å; F364-M371 HydrophobicContact CE1-CB 3.56Å; F364-M371 VanDerWaalsContact CE1-O 3.31Å; F364-M371 WeakPolarHBondContact CE1-O 3.33Å; F364-M371 HydrophobicContact CE2-CE 4.31Å; F364-M371 HydrophobicContact CG-CB 4.26Å; F364-M371 HydrophobicContact CZ-CB 4.46Å; F364-M371 HydrophobicContact CZ-CE 4.46Å; M367-M371 HydrophobicContact CB-CG 3.8Å; K368-M371 PolarHBondContact O-N 3.08Å; M371-P373 VanDerWaalsContact C-N 3.32Å; M371-Y374 PolarHBondContact O-N 3.2Å; M371-Y374 HydrophobicContact SD-CD2 4.14Å |
| 372 | E | 78.7 | Confident | 80.4 | Confident | 106 Ų | 106 | 50.5 Ų | 50.5 | 50% | 0.495 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -48.9 | -40.8 | 178.6 | -165.7 | 171.1 | -171 | 0 | 0 | 114.4 | Y374 V375 F414 | E372-Y374 PolarHBondContact O-N 3.11Å; E372-Y374 VanDerWaalsContact O-N 3.16Å; E372-V375 WeakPolarHBondContact O-CB 3.24Å; E372-V375 WeakPolarHBondContact O-CG2 3.45Å; E372-V375 PolarHBondContact O-N 3.35Å; E372-F414 HydrophobicContact CB-CE1 4.11Å; E372-F414 HydrophobicContact CB-CZ 4.32Å; E372-F414 HydrophobicContact CG-CE1 4.41Å |
| 373 | P | 81 | Confident | 80 | Confident | 97 Ų | 97 | 55.6 Ų | 55.6 | 63% | 0.63 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -64.6 | -21.3 | 178.5 | -20.9 | 33.1 | 0 | 0 | 0 | 114.6 | M371 | M371-P373 VanDerWaalsContact C-N 3.32Š|
| 374 | Y | 81.2 | Confident | 79.6 | Confident | 64 Ų | 64 | 62.7 Ų | 62.7 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -92 | -9.1 | -178.1 | -63.3 | -87.2 | 0 | 0 | 0 | 112.7 | F336 V340 L344 M371 E372 K377 V378 | F336-Y374 HydrophobicContact CE1-CE2 4.29Å; F336-Y374 HydrophobicContact CZ-CE2 4.45Å; V340-Y374 HydrophobicContact CG1-CD1 4.07Å; V340-Y374 HydrophobicContact CG1-CD2 4.5Å; V340-Y374 HydrophobicContact CG1-CE1 3.96Å; V340-Y374 HydrophobicContact CG1-CE2 4.41Å; V340-Y374 HydrophobicContact CG1-CG 4.34Å; L344-Y374 HydrophobicContact CD1-CD1 4.24Å; M371-Y374 PolarHBondContact O-N 3.2Å; M371-Y374 HydrophobicContact SD-CD2 4.14Å; E372-Y374 PolarHBondContact O-N 3.11Å; E372-Y374 VanDerWaalsContact O-N 3.16Å; Y374-K377 PolarHBondContact O-N 3.45Å; Y374-V378 WeakPolarHBondContact O-CG2 3.43Å; Y374-V378 PolarHBondContact O-N 3.23Å |
| 375 | V | 80.5 | Confident | 79 | Confident | 13 Ų | 13 | 65.8 Ų | 65.8 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -51.3 | -49 | 178.4 | 173.4 | 0 | 0 | 0 | 0 | 112.2 | F364 E372 K377 V378 F379 F414 V418 | F364-V375 HydrophobicContact CE1-CG2 3.63Å; F364-V375 HydrophobicContact CZ-CG2 4.22Å; E372-V375 WeakPolarHBondContact O-CB 3.24Å; E372-V375 WeakPolarHBondContact O-CG2 3.45Å; E372-V375 PolarHBondContact O-N 3.35Å; V375-K377 PolarHBondContact O-N 3Å; V375-V378 PolarHBondContact O-N 2.85Å; V375-F379 HydrophobicContact CG1-CD2 3.67Å; V375-F379 HydrophobicContact CG1-CE2 3.87Å; V375-F379 WeakPolarHBondContact O-CD2 3.36Å; V375-F379 PolarHBondContact O-N 2.84Å; V375-F414 HydrophobicContact CG2-CD2 4.39Å; V375-F414 HydrophobicContact CG2-CE2 3.8Å; V375-F414 HydrophobicContact CG2-CZ 4.18Å; V375-V418 HydrophobicContact CG1-CG1 4.1Å |
| 376 | P | 80.6 | Confident | 78.4 | Confident | 58 Ų | 58 | 65.6 Ų | 65.6 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | -179.8 | -19.3 | 31.6 | 0 | 0 | 0 | 112.2 | V378 F379 D380 | P376-V378 VanDerWaalsContact C-N 3.28Å; P376-V378 PolarHBondContact O-N 3.47Å; P376-F379 PolarHBondContact O-N 3.49Å; P376-D380 PolarHBondContact O-N 3.32Å |
| 377 | K | 80.4 | Confident | 77.7 | Confident | 140 Ų | 140 | 65.8 Ų | 65.8 | 61% | 0.609 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.2 | -40.4 | 178.7 | -89.6 | -176.8 | 175 | 177 | 0 | 112.3 | Y374 V375 L381 | Y374-K377 PolarHBondContact O-N 3.45Å; V375-K377 PolarHBondContact O-N 3Å; K377-L381 WeakPolarHBondContact O-CD1 3.3Å; K377-L381 WeakPolarHBondContact O-CG 3.45Å; K377-L381 PolarHBondContact O-N 3.22Å |
| 378 | V | 81.2 | Confident | 76.6 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -74 | -42.8 | -179.1 | 176 | 0 | 0 | 0 | 0 | 110.8 | L344 T360 F364 Y374 V375 P376 D380 L381 L382 I410 | L344-V378 HydrophobicContact CD2-CG2 3.55Å; T360-V378 HydrophobicContact CG2-CG1 4.23Å; T360-V378 HydrophobicContact CG2-CG2 4.41Å; F364-V378 HydrophobicContact CE2-CB 4.26Å; F364-V378 HydrophobicContact CE2-CG1 4.16Å; F364-V378 HydrophobicContact CE2-CG2 3.92Å; F364-V378 HydrophobicContact CZ-CB 4.33Å; F364-V378 HydrophobicContact CZ-CG2 4.01Å; Y374-V378 WeakPolarHBondContact O-CG2 3.43Å; Y374-V378 PolarHBondContact O-N 3.23Å; V375-V378 PolarHBondContact O-N 2.85Å; P376-V378 VanDerWaalsContact C-N 3.28Å; P376-V378 PolarHBondContact O-N 3.47Å; V378-D380 VanDerWaalsContact C-N 3.31Å; V378-D380 PolarHBondContact O-N 3.06Å; V378-L381 WeakPolarHBondContact O-CB 3.42Å; V378-L381 PolarHBondContact O-N 2.88Å; V378-L382 HydrophobicContact CG1-CD1 3.94Å; V378-L382 HydrophobicContact CG1-CG 4.26Å; V378-L382 VanDerWaalsContact O-CG 3.23Å; V378-L382 WeakPolarHBondContact O-CG 3.38Å; V378-L382 PolarHBondContact O-N 3.04Å; V378-I410 HydrophobicContact CG1-CD1 4.11Å |
| 379 | F | 81.2 | Confident | 75.2 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.7 | -31.9 | 176 | -87.4 | -74 | 0 | 0 | 0 | 113.4 | V375 P376 L382 K383 V407 I410 V418 H421 V422 I425 | V375-F379 HydrophobicContact CG1-CD2 3.67Å; V375-F379 HydrophobicContact CG1-CE2 3.87Å; V375-F379 WeakPolarHBondContact O-CD2 3.36Å; V375-F379 PolarHBondContact O-N 2.84Å; P376-F379 PolarHBondContact O-N 3.49Å; F379-L382 HydrophobicContact CD1-CD1 4.03Å; F379-L382 HydrophobicContact CE1-CD1 4.3Å; F379-L382 HydrophobicContact CG-CD1 4.46Å; F379-L382 PolarHBondContact O-N 3.18Å; F379-K383 VanDerWaalsContact O-CB 3.28Å; F379-K383 WeakPolarHBondContact O-CB 3.47Å; F379-K383 PolarHBondContact O-N 3.42Å; F379-V407 HydrophobicContact CE1-CG2 4.45Å; F379-I410 HydrophobicContact CE2-CG2 3.81Å; F379-I410 HydrophobicContact CZ-CG2 4.14Å; F379-V418 HydrophobicContact CD2-CG1 4.11Å; F379-V418 HydrophobicContact CE2-CG1 3.17Å; F379-V418 HydrophobicContact CZ-CG1 3.47Å; F379-V418 VanDerWaalsContact CZ-CG1 3.47Å; F379-H421 HydrophobicContact CB-CB 4.44Å; F379-H421 HydrophobicContact CD1-CB 4.3Å; F379-H421 HydrophobicContact CD2-CB 3.99Å; F379-H421 HydrophobicContact CE2-CB 4.3Å; F379-H421 HydrophobicContact CG-CB 3.98Å; F379-V422 HydrophobicContact CE1-CG2 4.27Å; F379-V422 HydrophobicContact CZ-CG2 4.03Å; F379-I425 HydrophobicContact CB-CD1 4.22Å; F379-I425 HydrophobicContact CD1-CD1 3.39Å; F379-I425 HydrophobicContact CE1-CD1 4.17Å; F379-I425 HydrophobicContact CG-CD1 4.24Å |
| 380 | D | 80.6 | Confident | 74 | Confident | 95 Ų | 95 | 72.1 Ų | 72.1 | 51% | 0.508 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 171.2 | -74.2 | -26.5 | 0 | 0 | 0 | 111.7 | P376 V378 K383 Q384 | P376-D380 PolarHBondContact O-N 3.32Å; V378-D380 VanDerWaalsContact C-N 3.31Å; V378-D380 PolarHBondContact O-N 3.06Å; D380-K383 PolarHBondContact O-N 2.88Å; D380-Q384 WeakPolarHBondContact O-CG 3.49Å; D380-Q384 PolarHBondContact O-N 2.88Å; D380-Q384 VanDerWaalsContact O-N 3.16Å |
| 381 | L | 78.1 | Confident | 72.8 | Confident | 42 Ų | 42 | 70.6 Ų | 70.6 | 22% | 0.22 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 173.5 | -79 | 160.2 | 0 | 0 | 0 | 111.6 | K377 V378 Q384 Q385 | K377-L381 WeakPolarHBondContact O-CD1 3.3Å; K377-L381 WeakPolarHBondContact O-CG 3.45Å; K377-L381 PolarHBondContact O-N 3.22Å; V378-L381 WeakPolarHBondContact O-CB 3.42Å; V378-L381 PolarHBondContact O-N 2.88Å; L381-Q384 PolarHBondContact O-N 3.28Å; L381-Q385 WeakPolarHBondContact O-CG 3.39Å |
| 382 | L | 78.7 | Confident | 71.4 | Confident | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.016 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 177.8 | -67.5 | 168.2 | 0 | 0 | 0 | 111.6 | L357 V378 F379 Q384 Q385 L386 L403 V407 I410 | L357-L382 HydrophobicContact CD2-CD2 3.67Å; V378-L382 HydrophobicContact CG1-CD1 3.94Å; V378-L382 HydrophobicContact CG1-CG 4.26Å; V378-L382 VanDerWaalsContact O-CG 3.23Å; V378-L382 WeakPolarHBondContact O-CG 3.38Å; V378-L382 PolarHBondContact O-N 3.04Å; F379-L382 HydrophobicContact CD1-CD1 4.03Å; F379-L382 HydrophobicContact CE1-CD1 4.3Å; F379-L382 HydrophobicContact CG-CD1 4.46Å; F379-L382 PolarHBondContact O-N 3.18Å; L382-Q384 VanDerWaalsContact C-N 3.32Å; L382-Q384 PolarHBondContact O-N 3.29Å; L382-Q385 PolarHBondContact O-N 3.02Å; L382-Q385 VanDerWaalsContact O-N 3.11Å; L382-L386 PolarHBondContact O-N 3.21Å; L382-L403 HydrophobicContact CD2-CD1 3.96Å; L382-L403 HydrophobicContact CD2-CG 3.76Å; L382-V407 HydrophobicContact CD1-CG2 3.99Å; L382-I410 HydrophobicContact CD1-CD1 4.38Å |
| 383 | K | 75.6 | Confident | 69.9 | Low | 116 Ų | 116 | 79.6 Ų | 79.6 | 50% | 0.504 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.5 | -36.4 | 178.6 | -170.5 | 177.4 | -177.5 | -179.6 | 0 | 112.2 | F379 D380 Q385 L386 I425 | F379-K383 VanDerWaalsContact O-CB 3.28Å; F379-K383 WeakPolarHBondContact O-CB 3.47Å; F379-K383 PolarHBondContact O-N 3.42Å; D380-K383 PolarHBondContact O-N 2.88Å; K383-Q385 PolarHBondContact O-N 3.37Å; K383-L386 PolarHBondContact O-N 3.16Å; K383-I425 HydrophobicContact CB-CD1 4.19Å; K383-I425 HydrophobicContact CB-CG1 4.33Å; K383-I425 HydrophobicContact CG-CG1 4.33Å |
| 384 | Q | 77.1 | Confident | 67.9 | Low | 150 Ų | 150 | 84.1 Ų | 84.1 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65 | -21.7 | 175.4 | -72.6 | 175.8 | 10 | 0 | 0 | 113.5 | D380 L381 L382 | D380-Q384 WeakPolarHBondContact O-CG 3.49Å; D380-Q384 PolarHBondContact O-N 2.88Å; D380-Q384 VanDerWaalsContact O-N 3.16Å; L381-Q384 PolarHBondContact O-N 3.28Å; L382-Q384 VanDerWaalsContact C-N 3.32Å; L382-Q384 PolarHBondContact O-N 3.29Å |
| 385 | Q | 71.3 | Confident | 66 | Low | 65 Ų | 65 | 92.8 Ų | 92.8 | 30% | 0.304 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -6 | 179.4 | -57.6 | -59.4 | -56.7 | 0 | 0 | 113.2 | L381 L382 K383 L403 | L381-Q385 WeakPolarHBondContact O-CG 3.39Å; L382-Q385 PolarHBondContact O-N 3.02Å; L382-Q385 VanDerWaalsContact O-N 3.11Å; K383-Q385 PolarHBondContact O-N 3.37Å; Q385-L403 HydrophobicContact CB-CD1 3.6Å; Q385-L403 HydrophobicContact CG-CD1 4.37Å |
| 386 | L | 70.7 | Confident | 64.3 | Low | 12 Ų | 12 | 97 Ų | 97 | 6% | 0.063 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -101.3 | 141.9 | -179.8 | -75.3 | 165.1 | 0 | 0 | 0 | 111.5 | L382 K383 V399 L403 F404 I425 A428 M429 T432 | L382-L386 PolarHBondContact O-N 3.21Å; K383-L386 PolarHBondContact O-N 3.16Å; L386-V399 HydrophobicContact CD2-CG1 4.21Å; L386-L403 HydrophobicContact CD1-CD2 4.12Å; L386-L403 HydrophobicContact CD2-CD2 3.99Å; L386-L403 HydrophobicContact CG-CD2 4.09Å; L386-F404 HydrophobicContact CD2-CE1 4.08Å; L386-F404 HydrophobicContact CD2-CZ 4.36Å; L386-I425 HydrophobicContact CD1-CG2 3.23Å; L386-A428 HydrophobicContact CB-CB 4.18Å; L386-M429 HydrophobicContact CD1-CG 4Å; L386-M429 HydrophobicContact CD2-CG 4.44Å; L386-T432 HydrophobicContact CD2-CG2 4.12Å |
| 387 | P | 64.9 | Low | 63 | Low | 24 Ų | 24 | 97.6 Ų | 97.6 | 16% | 0.156 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 136.4 | -178.5 | 26.4 | -31.6 | 0 | 0 | 0 | 112 | T432 | P387-T432 HydrophobicContact CG-CG2 3.73Š|
| 388 | T | 58.3 | Low | 61.9 | Low | 100 Ų | 100 | 97.8 Ų | 97.8 | 61% | 0.613 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 150.9 | 172.5 | 51.2 | 0 | 0 | 0 | 0 | 111.1 | E390 S391 | T388-E390 PolarHBondContact O-N 3.27Å; T388-S391 PolarHBondContact O-N 3.15Å; T388-S391 VanDerWaalsContact O-N 3.1Å; T388-S391 PolarHBondContact O-OG 3.43Å |
| 389 | K | 52.7 | Low | 61.1 | Low | 143 Ų | 143 | 99.3 Ų | 99.3 | 62% | 0.622 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -15.2 | -174.5 | -92.5 | 176.8 | 174.7 | 163.8 | 0 | 115.9 | D427 V431 | K389-D427 IonicContact NZ-OD2 3.25Å; K389-D427 PolarHBondContact NZ-OD2 2.92Å; K389-V431 HydrophobicContact CG-CG2 4.46Å |
| 390 | E | 49 | Very low | 60.5 | Low | 184 Ų | 184 | 101.1 Ų | 101.1 | 86% | 0.86 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -12.5 | -177.8 | -67.1 | -176.9 | 159 | 0 | 0 | 115.2 | T388 S392 | T388-E390 PolarHBondContact O-N 3.27Å; E390-S392 PolarHBondContact O-N 2.93Å |
| 391 | S | 50.1 | Low | 60 | Low | 63 Ų | 63 | 99.4 Ų | 99.4 | 44% | 0.441 | 52% | 0.52 | S | S | . | . | trans | -86 | 1.9 | -172.4 | 59.8 | 0 | 0 | 0 | 0 | 115.6 | T388 K393 | T388-S391 PolarHBondContact O-N 3.15Å; T388-S391 VanDerWaalsContact O-N 3.1Å; T388-S391 PolarHBondContact O-OG 3.43Å; S391-K393 PolarHBondContact O-N 3.3Å | ||
| 392 | S | 47.6 | Very low | 59.8 | Low | 100 Ų | 100 | 98.2 Ų | 98.2 | 70% | 0.699 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 7.8 | -169.2 | 55.8 | 0 | 0 | 0 | 0 | 117 | E390 | E390-S392 PolarHBondContact O-N 2.93Š|
| 393 | K | 46.5 | Very low | 60 | Low | 199 Ų | 199 | 98.2 Ų | 98.2 | 87% | 0.865 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | -2.9 | -178.9 | -74.9 | -173.7 | 177.7 | 178.7 | 0 | 116.7 | S391 | S391-K393 PolarHBondContact O-N 3.3Š|
| 394 | K | 40.3 | Very low | 60.2 | Low | 192 Ų | 192 | 92.9 Ų | 92.9 | 84% | 0.835 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -144.3 | 109.2 | 176.4 | -76.7 | -174 | 178 | 177.3 | 0 | 112.5 | ||
| 395 | R | 41.7 | Very low | 60.3 | Low | 245 Ų | 245 | 85.8 Ų | 85.8 | 93% | 0.925 | 46% | 0.459 | S | S | * | . | S | Bend | trans | 52.1 | 117.2 | 176.6 | -81 | -177.2 | 174.4 | 172.8 | -2 | 114.8 | A397 | R395-A397 PolarHBondContact O-N 3Š|
| 396 | A | 44.9 | Very low | 60.9 | Low | 102 Ų | 102 | 82.7 Ų | 82.7 | 84% | 0.843 | 45% | 0.445 | S | S | * | . | trans | -50.4 | 112.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | T398 | A396-T398 PolarHBondContact O-N 3.5Š| ||
| 397 | A | 51.7 | Low | 61.5 | Low | 70 Ų | 70 | 82.2 Ų | 82.2 | 58% | 0.579 | 44% | 0.442 | S | S | * | . | trans | -65 | 117.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | R395 V399 | R395-A397 PolarHBondContact O-N 3Å; A397-V399 PolarHBondContact O-N 2.87Å | ||
| 398 | T | 57.1 | Low | 62.2 | Low | 145 Ų | 145 | 81.1 Ų | 81.1 | 89% | 0.89 | 44% | 0.436 | S | S | * | . | trans | -69.5 | 96.1 | 176.4 | 47.6 | 0 | 0 | 0 | 0 | 108.9 | A396 | A396-T398 PolarHBondContact O-N 3.5Š| ||
| 399 | V | 64.6 | Low | 63.4 | Low | 31 Ų | 31 | 76.5 Ų | 76.5 | 19% | 0.188 | 41% | 0.407 | C | S | . | . | trans | -75.5 | 134.6 | 173.6 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | L386 A397 P401 F404 T432 | L386-V399 HydrophobicContact CD2-CG1 4.21Å; A397-V399 PolarHBondContact O-N 2.87Å; V399-P401 WeakPolarHBondContact O-CD 3.48Å; V399-F404 HydrophobicContact CG1-CE2 4.18Å; V399-F404 HydrophobicContact CG1-CZ 4.04Å; V399-T432 HydrophobicContact CG2-CG2 3.81Å | ||
| 400 | D | 68.9 | Low | 64.9 | Low | 42 Ų | 42 | 69.7 Ų | 69.7 | 23% | 0.225 | 38% | 0.378 | C | S | . | . | trans | -67.2 | 121 | 178.8 | -165.1 | -34.8 | 0 | 0 | 0 | 110 | S354 S402 L403 | S354-D400 PolarHBondContact N-OD2 3.21Å; D400-S402 PolarHBondContact O-N 3.33Å; D400-S402 VanDerWaalsContact O-N 3.09Å; D400-S402 WeakPolarHBondContact OD1-CB 3.21Å; D400-S402 PolarHBondContact OD1-N 3.14Å; D400-S402 PolarHBondContact OD1-OG 3Å; D400-L403 WeakPolarHBondContact O-CB 3.45Å; D400-L403 PolarHBondContact O-N 3.4Å | ||
| 401 | P | 70.9 | Confident | 66.5 | Low | 59 Ų | 59 | 61 Ų | 61 | 38% | 0.383 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -29.9 | -177.9 | -25 | 33.4 | 0 | 0 | 0 | 113.7 | V399 L403 F404 T437 | V399-P401 WeakPolarHBondContact O-CD 3.48Å; P401-L403 PolarHBondContact O-N 2.92Å; P401-F404 PolarHBondContact O-N 2.98Å; P401-T437 HydrophobicContact CB-CG2 4.08Å |
| 402 | S | 73.2 | Confident | 68 | Low | 17 Ų | 17 | 62.7 Ų | 62.7 | 12% | 0.119 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.1 | -21.6 | -179 | -40.4 | 0 | 0 | 0 | 0 | 112.7 | S354 D400 T405 C406 | S354-S402 WeakPolarHBondContact CB-OG 3.34Å; D400-S402 PolarHBondContact O-N 3.33Å; D400-S402 VanDerWaalsContact O-N 3.09Å; D400-S402 WeakPolarHBondContact OD1-CB 3.21Å; D400-S402 PolarHBondContact OD1-N 3.14Å; D400-S402 PolarHBondContact OD1-OG 3Å; S402-T405 PolarHBondContact O-N 3.38Å; S402-C406 WeakPolarHBondContact O-CB 3.37Å; S402-C406 PolarHBondContact O-N 3.22Å |
| 403 | L | 82.5 | Confident | 69.4 | Low | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 177.3 | -174.9 | 142.6 | 0 | 0 | 0 | 111.5 | L357 L382 Q385 L386 D400 P401 C406 V407 | L357-L403 HydrophobicContact CD1-CB 4.13Å; L382-L403 HydrophobicContact CD2-CD1 3.96Å; L382-L403 HydrophobicContact CD2-CG 3.76Å; Q385-L403 HydrophobicContact CB-CD1 3.6Å; Q385-L403 HydrophobicContact CG-CD1 4.37Å; L386-L403 HydrophobicContact CD1-CD2 4.12Å; L386-L403 HydrophobicContact CD2-CD2 3.99Å; L386-L403 HydrophobicContact CG-CD2 4.09Å; D400-L403 WeakPolarHBondContact O-CB 3.45Å; D400-L403 PolarHBondContact O-N 3.4Å; P401-L403 PolarHBondContact O-N 2.92Å; L403-C406 WeakPolarHBondContact O-CB 3.3Å; L403-C406 PolarHBondContact O-N 2.9Å; L403-V407 PolarHBondContact O-N 3.38Å; L403-V407 VanDerWaalsContact O-N 3.08Å |
| 404 | F | 81.4 | Confident | 71.1 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 2% | 0.022 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 178.9 | -59.1 | -56.1 | 0 | 0 | 0 | 111.4 | L386 V399 P401 C406 V407 A408 M429 T432 L438 A441 | L386-F404 HydrophobicContact CD2-CE1 4.08Å; L386-F404 HydrophobicContact CD2-CZ 4.36Å; V399-F404 HydrophobicContact CG1-CE2 4.18Å; V399-F404 HydrophobicContact CG1-CZ 4.04Å; P401-F404 PolarHBondContact O-N 2.98Å; F404-C406 VanDerWaalsContact C-N 3.34Å; F404-C406 PolarHBondContact O-N 2.97Å; F404-V407 PolarHBondContact O-N 2.8Å; F404-A408 WeakPolarHBondContact O-CB 3.39Å; F404-A408 PolarHBondContact O-N 3.12Å; F404-M429 HydrophobicContact CD1-CE 3.58Å; F404-M429 HydrophobicContact CD1-CG 4.35Å; F404-M429 HydrophobicContact CE1-CB 4.15Å; F404-M429 HydrophobicContact CE1-CE 4.1Å; F404-M429 HydrophobicContact CE1-CG 3.96Å; F404-T432 HydrophobicContact CZ-CG2 4.18Å; F404-T432 WeakPolarHBondContact CZ-OG1 3.11Å; F404-L438 HydrophobicContact CD1-CD1 3.97Å; F404-L438 HydrophobicContact CD2-CB 4.28Å; F404-L438 HydrophobicContact CE1-CD1 3.85Å; F404-L438 HydrophobicContact CE2-CB 4.34Å; F404-L438 HydrophobicContact CG-CB 4.45Å; F404-L438 HydrophobicContact CZ-CD1 4.31Å; F404-A441 HydrophobicContact CB-CB 4.01Å |
| 405 | T | 78.1 | Confident | 72.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 174 | -36 | 0 | 0 | 0 | 0 | 111.2 | V236 N240 S402 A408 L409 | V236-T405 HydrophobicContact CG1-CG2 3.89Å; N240-T405 WeakPolarHBondContact OD1-CG2 3.37Å; N240-T405 PolarHBondContact OD1-OG1 3.44Å; S402-T405 PolarHBondContact O-N 3.38Å; T405-A408 WeakPolarHBondContact O-CB 3.32Å; T405-A408 PolarHBondContact O-N 2.88Å; T405-L409 VanDerWaalsContact O-CG 3.25Å; T405-L409 WeakPolarHBondContact O-CG 3.18Å; T405-L409 PolarHBondContact O-N 3.18Å |
| 406 | C | 83.1 | Confident | 74.5 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 174.6 | -172 | 0 | 0 | 0 | 0 | 111.9 | L357 S402 L403 F404 A408 L409 I410 | L357-C406 HydrophobicContact CB-CB 4.32Å; L357-C406 PolarHBondContact O-SG 3.48Å; S402-C406 WeakPolarHBondContact O-CB 3.37Å; S402-C406 PolarHBondContact O-N 3.22Å; L403-C406 WeakPolarHBondContact O-CB 3.3Å; L403-C406 PolarHBondContact O-N 2.9Å; F404-C406 VanDerWaalsContact C-N 3.34Å; F404-C406 PolarHBondContact O-N 2.97Å; C406-A408 VanDerWaalsContact C-N 3.35Å; C406-A408 PolarHBondContact O-N 3.36Å; C406-L409 PolarHBondContact O-N 3.01Å; C406-I410 VanDerWaalsContact O-CG1 3.31Å; C406-I410 WeakPolarHBondContact O-CG1 3.24Å; C406-I410 PolarHBondContact O-N 3.33Å |
| 407 | V | 83.3 | Confident | 76 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 175.1 | 174.1 | 0 | 0 | 0 | 0 | 111 | F379 L382 L403 F404 L409 I410 V411 M429 | F379-V407 HydrophobicContact CE1-CG2 4.45Å; L382-V407 HydrophobicContact CD1-CG2 3.99Å; L403-V407 PolarHBondContact O-N 3.38Å; L403-V407 VanDerWaalsContact O-N 3.08Å; F404-V407 PolarHBondContact O-N 2.8Å; V407-L409 VanDerWaalsContact C-N 3.33Å; V407-L409 PolarHBondContact O-N 3.39Å; V407-I410 PolarHBondContact O-N 2.95Å; V407-V411 HydrophobicContact CG1-CG2 4.34Å; V407-V411 VanDerWaalsContact O-CG2 3.31Å; V407-V411 WeakPolarHBondContact O-CG2 3.41Å; V407-V411 PolarHBondContact O-N 3.32Å; V407-M429 HydrophobicContact CG1-CE 4.32Å; V407-M429 HydrophobicContact CG1-SD 4.44Å |
| 408 | A | 80.7 | Confident | 77.3 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.017 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.1 | -43.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | F404 T405 C406 V411 R412 F440 A441 E444 | F404-A408 WeakPolarHBondContact O-CB 3.39Å; F404-A408 PolarHBondContact O-N 3.12Å; T405-A408 WeakPolarHBondContact O-CB 3.32Å; T405-A408 PolarHBondContact O-N 2.88Å; C406-A408 VanDerWaalsContact C-N 3.35Å; C406-A408 PolarHBondContact O-N 3.36Å; A408-V411 PolarHBondContact O-N 3Å; A408-R412 WeakPolarHBondContact O-CB 3.48Å; A408-R412 PolarHBondContact O-N 3.01Å; A408-F440 HydrophobicContact CB-CD1 3.97Å; A408-F440 HydrophobicContact CB-CE1 3.59Å; A408-F440 HydrophobicContact CB-CZ 4.44Å; A408-A441 HydrophobicContact CB-CB 4.26Å; A408-E444 HydrophobicContact CB-CB 4.37Å; A408-E444 HydrophobicContact CB-CG 4.43Å |
| 409 | L | 82.8 | Confident | 78.4 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.3 | -38.8 | 177.9 | -68 | 168.3 | 0 | 0 | 0 | 112.7 | V236 L362 T405 C406 V407 R412 A413 | V236-L409 HydrophobicContact CG1-CD1 4.04Å; V236-L409 HydrophobicContact CG1-CD2 4.03Å; V236-L409 HydrophobicContact CG1-CG 4.41Å; V236-L409 HydrophobicContact CG2-CD2 3.62Å; L362-L409 HydrophobicContact CD2-CD1 4.48Å; T405-L409 VanDerWaalsContact O-CG 3.25Å; T405-L409 WeakPolarHBondContact O-CG 3.18Å; T405-L409 PolarHBondContact O-N 3.18Å; C406-L409 PolarHBondContact O-N 3.01Å; V407-L409 VanDerWaalsContact C-N 3.33Å; V407-L409 PolarHBondContact O-N 3.39Å; L409-R412 PolarHBondContact O-N 3.47Å; L409-A413 WeakPolarHBondContact O-CB 3.34Å; L409-A413 PolarHBondContact O-N 2.99Å |
| 410 | I | 84.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.3 | -43 | 175.5 | -65.4 | 167.2 | 0 | 0 | 0 | 110.4 | F364 V378 F379 L382 C406 V407 R412 A413 F414 V418 | F364-I410 HydrophobicContact CB-CG1 4.23Å; F364-I410 HydrophobicContact CD2-CD1 4Å; F364-I410 HydrophobicContact CD2-CG1 3.73Å; F364-I410 HydrophobicContact CE2-CD1 4.05Å; F364-I410 HydrophobicContact CE2-CG1 4.24Å; F364-I410 HydrophobicContact CG-CG1 3.99Å; V378-I410 HydrophobicContact CG1-CD1 4.11Å; F379-I410 HydrophobicContact CE2-CG2 3.81Å; F379-I410 HydrophobicContact CZ-CG2 4.14Å; L382-I410 HydrophobicContact CD1-CD1 4.38Å; C406-I410 VanDerWaalsContact O-CG1 3.31Å; C406-I410 WeakPolarHBondContact O-CG1 3.24Å; C406-I410 PolarHBondContact O-N 3.33Å; V407-I410 PolarHBondContact O-N 2.95Å; I410-R412 VanDerWaalsContact C-N 3.35Å; I410-R412 PolarHBondContact O-N 3.47Å; I410-A413 PolarHBondContact O-N 3.18Å; I410-F414 HydrophobicContact CG2-CD2 4.02Å; I410-F414 HydrophobicContact CG2-CE2 4.42Å; I410-F414 PolarHBondContact O-N 3.46Å; I410-F414 VanDerWaalsContact O-N 3.17Å; I410-V418 HydrophobicContact CG2-CG1 4.32Å; I410-V418 HydrophobicContact CG2-CG2 4.42Å |
| 411 | V | 82.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 175.4 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | V407 A408 A413 F414 G415 V422 I445 H448 M449 | V407-V411 HydrophobicContact CG1-CG2 4.34Å; V407-V411 VanDerWaalsContact O-CG2 3.31Å; V407-V411 WeakPolarHBondContact O-CG2 3.41Å; V407-V411 PolarHBondContact O-N 3.32Å; A408-V411 PolarHBondContact O-N 3Å; V411-A413 VanDerWaalsContact C-N 3.29Å; V411-A413 PolarHBondContact O-N 2.84Å; V411-F414 PolarHBondContact O-N 3.34Å; V411-G415 VanDerWaalsContact O-CA 3.28Å; V411-G415 WeakPolarHBondContact O-CA 3.35Å; V411-G415 PolarHBondContact O-N 2.85Å; V411-V422 HydrophobicContact CG2-CG2 3.81Å; V411-I445 HydrophobicContact CG1-CG1 4.33Å; V411-I445 HydrophobicContact CG2-CG1 4.07Å; V411-H448 HydrophobicContact CG1-CB 4.05Å; V411-M449 HydrophobicContact CG1-CG 4.18Å; V411-M449 HydrophobicContact CG1-SD 4.12Å; V411-M449 HydrophobicContact CG2-SD 4.4Å |
| 412 | R | 82.1 | Confident | 79.9 | Confident | 99 Ų | 99 | 27.6 Ų | 27.6 | 37% | 0.374 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.2 | -30.7 | 176.4 | -171.9 | 169.5 | 175.1 | 154.3 | -5.9 | 113.2 | L365 A408 L409 I410 E444 | L365-R412 HydrophobicContact CD1-CB 4.21Å; L365-R412 HydrophobicContact CD1-CG 4.12Å; A408-R412 WeakPolarHBondContact O-CB 3.48Å; A408-R412 PolarHBondContact O-N 3.01Å; L409-R412 PolarHBondContact O-N 3.47Å; I410-R412 VanDerWaalsContact C-N 3.35Å; I410-R412 PolarHBondContact O-N 3.47Å; R412-E444 IonicContact NH1-OE1 3.52Å |
| 413 | A | 77.7 | Confident | 80.2 | Confident | 16 Ų | 16 | 32.4 Ų | 32.4 | 13% | 0.132 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.1 | -38.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L365 L409 I410 V411 | L365-A413 HydrophobicContact CD1-CB 4.12Å; L409-A413 WeakPolarHBondContact O-CB 3.34Å; L409-A413 PolarHBondContact O-N 2.99Å; I410-A413 PolarHBondContact O-N 3.18Å; V411-A413 VanDerWaalsContact C-N 3.29Å; V411-A413 PolarHBondContact O-N 2.84Å |
| 414 | F | 80.7 | Confident | 80 | Confident | 32 Ų | 32 | 37.6 Ų | 37.6 | 14% | 0.14 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -120.6 | -18.9 | -166.9 | -71.2 | -65.9 | 0 | 0 | 0 | 115.2 | F364 K368 E372 V375 I410 V411 S416 S417 V418 | F364-F414 HydrophobicContact CD1-CD2 4.49Å; F364-F414 AromaticContact CD1-CE2 3.34Å; F364-F414 HydrophobicContact CD1-CE2 3.34Å; F364-F414 AromaticContact CD1-CZ 3.82Å; F364-F414 HydrophobicContact CD1-CZ 3.82Å; F364-F414 AromaticContact CE1-CE2 3.79Å; F364-F414 HydrophobicContact CE1-CE2 3.79Å; F364-F414 HydrophobicContact CE1-CZ 4.21Å; F364-F414 HydrophobicContact CG-CE2 4.29Å; K368-F414 WeakPolarHBondContact O-CE1 3.3Å; K368-F414 WeakPolarHBondContact O-CZ 3.48Å; E372-F414 HydrophobicContact CB-CE1 4.11Å; E372-F414 HydrophobicContact CB-CZ 4.32Å; E372-F414 HydrophobicContact CG-CE1 4.41Å; V375-F414 HydrophobicContact CG2-CD2 4.39Å; V375-F414 HydrophobicContact CG2-CE2 3.8Å; V375-F414 HydrophobicContact CG2-CZ 4.18Å; I410-F414 HydrophobicContact CG2-CD2 4.02Å; I410-F414 HydrophobicContact CG2-CE2 4.42Å; I410-F414 PolarHBondContact O-N 3.46Å; I410-F414 VanDerWaalsContact O-N 3.17Å; V411-F414 PolarHBondContact O-N 3.34Å; F414-S416 PolarHBondContact O-N 3.4Å; F414-S417 WeakPolarHBondContact CB-OG 3.47Å; F414-S417 PolarHBondContact O-OG 3.3Å; F414-V418 HydrophobicContact CB-CG2 3.4Å; F414-V418 VanDerWaalsContact CB-CG2 3.4Å; F414-V418 HydrophobicContact CD2-CG2 4.23Å; F414-V418 HydrophobicContact CG-CG2 4.19Å |
| 415 | G | 77.7 | Confident | 80 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 14% | 0.144 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | 56.2 | -119.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V411 S417 V418 M449 | V411-G415 VanDerWaalsContact O-CA 3.28Å; V411-G415 WeakPolarHBondContact O-CA 3.35Å; V411-G415 PolarHBondContact O-N 2.85Å; G415-S417 VanDerWaalsContact C-N 3.31Å; G415-S417 PolarHBondContact O-N 3.29Å; G415-V418 PolarHBondContact O-N 3.05Å; G415-M449 WeakPolarHBondContact O-CE 3.36Å |
| 416 | S | 76.7 | Confident | 79.9 | Confident | 99 Ų | 99 | 37.9 Ų | 37.9 | 69% | 0.692 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -64.3 | -22.9 | -171 | 53.3 | 0 | 0 | 0 | 0 | 115.5 | F414 V418 H419 | F414-S416 PolarHBondContact O-N 3.4Å; S416-V418 PolarHBondContact O-N 3.2Å; S416-H419 WeakPolarHBondContact O-CB 3.37Å; S416-H419 PolarHBondContact O-N 3.48Å |
| 417 | S | 75.7 | Confident | 79.5 | Confident | 69 Ų | 69 | 42 Ų | 42 | 48% | 0.483 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -70.3 | -15.5 | -176.2 | 63.8 | 0 | 0 | 0 | 0 | 114.1 | F414 G415 | F414-S417 WeakPolarHBondContact CB-OG 3.47Å; F414-S417 PolarHBondContact O-OG 3.3Å; G415-S417 VanDerWaalsContact C-N 3.31Å; G415-S417 PolarHBondContact O-N 3.29Å |
| 418 | V | 78.4 | Confident | 79 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -97.1 | 3.2 | -178.6 | -149.1 | 0 | 0 | 0 | 0 | 112.8 | V375 F379 I410 F414 G415 S416 D420 H421 V422 | V375-V418 HydrophobicContact CG1-CG1 4.1Å; F379-V418 HydrophobicContact CD2-CG1 4.11Å; F379-V418 HydrophobicContact CE2-CG1 3.17Å; F379-V418 HydrophobicContact CZ-CG1 3.47Å; F379-V418 VanDerWaalsContact CZ-CG1 3.47Å; I410-V418 HydrophobicContact CG2-CG1 4.32Å; I410-V418 HydrophobicContact CG2-CG2 4.42Å; F414-V418 HydrophobicContact CB-CG2 3.4Å; F414-V418 VanDerWaalsContact CB-CG2 3.4Å; F414-V418 HydrophobicContact CD2-CG2 4.23Å; F414-V418 HydrophobicContact CG-CG2 4.19Å; G415-V418 PolarHBondContact O-N 3.05Å; S416-V418 PolarHBondContact O-N 3.2Å; V418-D420 PolarHBondContact O-N 3.42Å; V418-H421 HydrophobicContact CG1-CB 4.16Å; V418-H421 PolarHBondContact O-N 2.98Å; V418-H421 VanDerWaalsContact O-N 3.1Å; V418-V422 HydrophobicContact CB-CG2 4.24Å; V418-V422 HydrophobicContact CG1-CG2 4.05Å; V418-V422 WeakPolarHBondContact O-CG2 3.45Å; V418-V422 PolarHBondContact O-N 3.44Å |
| 419 | H | 80.9 | Confident | 78.8 | Confident | 45 Ų | 45 | 43 Ų | 43 | 21% | 0.208 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -50.1 | -49.9 | -168.6 | 175.9 | -87 | 0 | 0 | 0 | 114 | S416 H421 V422 K423 M449 S451 | S416-H419 WeakPolarHBondContact O-CB 3.37Å; S416-H419 PolarHBondContact O-N 3.48Å; H419-H421 PolarHBondContact O-N 3Å; H419-V422 PolarHBondContact O-N 3Å; H419-K423 VanDerWaalsContact O-CB 3.27Å; H419-K423 WeakPolarHBondContact O-CB 3.4Å; H419-K423 PolarHBondContact O-N 3.5Å; H419-M449 HydrophobicContact CB-CE 3.6Å; H419-S451 PolarHBondContact CD2-OG 2.96Å; H419-S451 PolarHBondContact NE2-OG 3.23Å |
| 420 | D | 78.8 | Confident | 78.3 | Confident | 104 Ų | 104 | 43.4 Ų | 43.4 | 56% | 0.556 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -71.8 | -33 | -174.9 | -64.4 | -23.7 | 0 | 0 | 0 | 112.4 | V418 N424 | V418-D420 PolarHBondContact O-N 3.42Å; D420-N424 WeakPolarHBondContact O-CB 3.48Å; D420-N424 PolarHBondContact O-N 3.34Å; D420-N424 VanDerWaalsContact O-N 3.16Å; D420-N424 PolarHBondContact O-ND2 2.91Å; D420-N424 VanDerWaalsContact O-ND2 3.12Å |
| 421 | H | 78.6 | Confident | 77.8 | Confident | 67 Ų | 67 | 46.2 Ų | 46.2 | 31% | 0.31 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.4 | -43.5 | 176.8 | -64.1 | 85.5 | 0 | 0 | 0 | 111.1 | F379 V418 H419 N424 I425 | F379-H421 HydrophobicContact CB-CB 4.44Å; F379-H421 HydrophobicContact CD1-CB 4.3Å; F379-H421 HydrophobicContact CD2-CB 3.99Å; F379-H421 HydrophobicContact CE2-CB 4.3Å; F379-H421 HydrophobicContact CG-CB 3.98Å; V418-H421 HydrophobicContact CG1-CB 4.16Å; V418-H421 PolarHBondContact O-N 2.98Å; V418-H421 VanDerWaalsContact O-N 3.1Å; H419-H421 PolarHBondContact O-N 3Å; H421-N424 PolarHBondContact O-N 3.36Å; H421-I425 PolarHBondContact O-N 3.45Å |
| 422 | V | 79.2 | Confident | 77.2 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 176.5 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | F379 V411 V418 H419 N424 I425 L426 I445 M449 L452 | F379-V422 HydrophobicContact CE1-CG2 4.27Å; F379-V422 HydrophobicContact CZ-CG2 4.03Å; V411-V422 HydrophobicContact CG2-CG2 3.81Å; V418-V422 HydrophobicContact CB-CG2 4.24Å; V418-V422 HydrophobicContact CG1-CG2 4.05Å; V418-V422 WeakPolarHBondContact O-CG2 3.45Å; V418-V422 PolarHBondContact O-N 3.44Å; H419-V422 PolarHBondContact O-N 3Å; V422-N424 VanDerWaalsContact C-N 3.25Å; V422-N424 PolarHBondContact O-N 2.9Å; V422-I425 PolarHBondContact O-N 2.94Å; V422-L426 WeakPolarHBondContact O-CB 3.26Å; V422-L426 PolarHBondContact O-N 3.05Å; V422-I445 HydrophobicContact CG1-CD1 3.75Å; V422-I445 HydrophobicContact CG1-CG1 4.1Å; V422-I445 HydrophobicContact CG1-CG2 4.31Å; V422-M449 HydrophobicContact CB-SD 4.48Å; V422-M449 HydrophobicContact CG1-SD 4.5Å; V422-M449 HydrophobicContact CG2-SD 4.41Å; V422-L452 HydrophobicContact CB-CD1 4.46Å; V422-L452 HydrophobicContact CG1-CD1 4.09Å |
| 423 | K | 79 | Confident | 76.5 | Confident | 119 Ų | 119 | 44.9 Ų | 44.9 | 52% | 0.517 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.5 | -39.3 | 177.7 | -173.8 | 178.8 | 177.9 | -176.7 | 0 | 112.4 | H419 I425 L452 | H419-K423 VanDerWaalsContact O-CB 3.27Å; H419-K423 WeakPolarHBondContact O-CB 3.4Å; H419-K423 PolarHBondContact O-N 3.5Å; K423-I425 VanDerWaalsContact C-N 3.25Å; K423-I425 PolarHBondContact O-N 3.14Å; K423-L452 HydrophobicContact CB-CD2 4.05Å; K423-L452 HydrophobicContact CD-CD2 4.26Å; K423-L452 HydrophobicContact CG-CD2 4.01Å |
| 424 | N | 78.8 | Confident | 76 | Confident | 112 Ų | 112 | 47.9 Ų | 47.9 | 60% | 0.599 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -69.7 | -20.6 | 179.4 | -74.9 | -23.5 | 0 | 0 | 0 | 114.2 | D420 H421 V422 | D420-N424 WeakPolarHBondContact O-CB 3.48Å; D420-N424 PolarHBondContact O-N 3.34Å; D420-N424 VanDerWaalsContact O-N 3.16Å; D420-N424 PolarHBondContact O-ND2 2.91Å; D420-N424 VanDerWaalsContact O-ND2 3.12Å; H421-N424 PolarHBondContact O-N 3.36Å; V422-N424 VanDerWaalsContact C-N 3.25Å; V422-N424 PolarHBondContact O-N 2.9Å |
| 425 | I | 79.7 | Confident | 75.5 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -107.2 | -20.1 | -176.2 | -69.8 | 167 | 0 | 0 | 0 | 111.2 | F379 K383 L386 H421 V422 K423 D427 A428 M429 | F379-I425 HydrophobicContact CB-CD1 4.22Å; F379-I425 HydrophobicContact CD1-CD1 3.39Å; F379-I425 HydrophobicContact CE1-CD1 4.17Å; F379-I425 HydrophobicContact CG-CD1 4.24Å; K383-I425 HydrophobicContact CB-CD1 4.19Å; K383-I425 HydrophobicContact CB-CG1 4.33Å; K383-I425 HydrophobicContact CG-CG1 4.33Å; L386-I425 HydrophobicContact CD1-CG2 3.23Å; H421-I425 PolarHBondContact O-N 3.45Å; V422-I425 PolarHBondContact O-N 2.94Å; K423-I425 VanDerWaalsContact C-N 3.25Å; K423-I425 PolarHBondContact O-N 3.14Å; I425-D427 VanDerWaalsContact C-N 3.34Å; I425-D427 PolarHBondContact O-N 3.42Å; I425-A428 CarbonylContact O-C 3.39Å; I425-A428 WeakPolarHBondContact O-CA 3.18Å; I425-A428 WeakPolarHBondContact O-CB 3.28Å; I425-A428 PolarHBondContact O-N 3.44Å; I425-M429 HydrophobicContact CG2-CG 3.82Å; I425-M429 HydrophobicContact CG2-SD 3.99Å; I425-M429 PolarHBondContact O-N 3.06Å |
| 426 | L | 77.2 | Confident | 75 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.9 | -45.3 | -177.5 | -173.9 | 68.4 | 0 | 0 | 0 | 113.1 | V422 A428 M429 L430 L442 A455 V456 | V422-L426 WeakPolarHBondContact O-CB 3.26Å; V422-L426 PolarHBondContact O-N 3.05Å; L426-A428 VanDerWaalsContact C-N 3.28Å; L426-A428 PolarHBondContact O-N 2.93Å; L426-M429 PolarHBondContact O-N 3.11Å; L426-L430 HydrophobicContact CG-CD1 4.17Å; L426-L430 WeakPolarHBondContact O-CG 3.48Å; L426-L430 PolarHBondContact O-N 3.3Å; L426-L442 HydrophobicContact CD1-CD2 3.49Å; L426-L442 VanDerWaalsContact CD1-CD2 3.49Å; L426-A455 HydrophobicContact CD2-CB 4.13Å; L426-V456 HydrophobicContact CD1-CG2 3.88Å; L426-V456 HydrophobicContact CD2-CG2 3.86Å; L426-V456 HydrophobicContact CG-CG2 4.49Å |
| 427 | D | 74 | Confident | 74.6 | Confident | 87 Ų | 87 | 45 Ų | 45 | 47% | 0.465 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.1 | -38.5 | 175.7 | -92.5 | 19.9 | 0 | 0 | 0 | 112.1 | K389 I425 V431 | K389-D427 IonicContact NZ-OD2 3.25Å; K389-D427 PolarHBondContact NZ-OD2 2.92Å; I425-D427 VanDerWaalsContact C-N 3.34Å; I425-D427 PolarHBondContact O-N 3.42Å; D427-V431 VanDerWaalsContact O-CG2 3.3Å; D427-V431 WeakPolarHBondContact O-CG2 3.47Å; D427-V431 PolarHBondContact O-N 3.18Å |
| 428 | A | 74.1 | Confident | 74.7 | Confident | 24 Ų | 24 | 41.8 Ų | 41.8 | 20% | 0.198 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.2 | -33.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | L386 I425 L426 | L386-A428 HydrophobicContact CB-CB 4.18Å; I425-A428 CarbonylContact O-C 3.39Å; I425-A428 WeakPolarHBondContact O-CA 3.18Å; I425-A428 WeakPolarHBondContact O-CB 3.28Å; I425-A428 PolarHBondContact O-N 3.44Å; L426-A428 VanDerWaalsContact C-N 3.28Å; L426-A428 PolarHBondContact O-N 2.93Å |
| 429 | M | 75.6 | Confident | 74.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.3 | -38.5 | 173.3 | -69.6 | 173.7 | 69.8 | 0 | 0 | 112 | L386 F404 V407 I425 L426 T432 L438 A441 I445 | L386-M429 HydrophobicContact CD1-CG 4Å; L386-M429 HydrophobicContact CD2-CG 4.44Å; F404-M429 HydrophobicContact CD1-CE 3.58Å; F404-M429 HydrophobicContact CD1-CG 4.35Å; F404-M429 HydrophobicContact CE1-CB 4.15Å; F404-M429 HydrophobicContact CE1-CE 4.1Å; F404-M429 HydrophobicContact CE1-CG 3.96Å; V407-M429 HydrophobicContact CG1-CE 4.32Å; V407-M429 HydrophobicContact CG1-SD 4.44Å; I425-M429 HydrophobicContact CG2-CG 3.82Å; I425-M429 HydrophobicContact CG2-SD 3.99Å; I425-M429 PolarHBondContact O-N 3.06Å; L426-M429 PolarHBondContact O-N 3.11Å; M429-T432 PolarHBondContact O-OG1 2.93Å; M429-L438 HydrophobicContact CB-CD1 3.9Å; M429-L438 HydrophobicContact CE-CD1 3.94Å; M429-L438 WeakPolarHBondContact O-CD2 3.5Å; M429-A441 HydrophobicContact CE-CB 3.97Å; M429-I445 HydrophobicContact CE-CD1 4.46Å |
| 430 | L | 73.3 | Confident | 73.9 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67 | -38.9 | 179.3 | -71.7 | 162.2 | 0 | 0 | 0 | 110.9 | L426 T432 G433 L442 L460 Q463 | L426-L430 HydrophobicContact CG-CD1 4.17Å; L426-L430 WeakPolarHBondContact O-CG 3.48Å; L426-L430 PolarHBondContact O-N 3.3Å; L430-T432 PolarHBondContact O-N 3.16Å; L430-G433 PolarHBondContact O-N 3.47Å; L430-L442 HydrophobicContact CD2-CD1 3.85Å; L430-L442 HydrophobicContact CD2-CD2 4.44Å; L430-L460 HydrophobicContact CD2-CG 4.47Å; L430-Q463 PolarHBondContact O-NE2 3.5Å; L430-Q463 PolarHBondContact O-OE1 2.85Å |
| 431 | V | 72.9 | Confident | 73.7 | Confident | 60 Ų | 60 | 37.9 Ų | 37.9 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.2 | -21 | -178.6 | 171.8 | 0 | 0 | 0 | 0 | 114.1 | K389 D427 G433 | K389-V431 HydrophobicContact CG-CG2 4.46Å; D427-V431 VanDerWaalsContact O-CG2 3.3Å; D427-V431 WeakPolarHBondContact O-CG2 3.47Å; D427-V431 PolarHBondContact O-N 3.18Å; V431-G433 PolarHBondContact O-N 3.01Å |
| 432 | T | 70.6 | Confident | 73.6 | Confident | 46 Ų | 46 | 34.9 Ų | 34.9 | 28% | 0.282 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -13.3 | -177.7 | 61.1 | 0 | 0 | 0 | 0 | 114.4 | L386 P387 V399 F404 M429 L430 | L386-T432 HydrophobicContact CD2-CG2 4.12Å; P387-T432 HydrophobicContact CG-CG2 3.73Å; V399-T432 HydrophobicContact CG2-CG2 3.81Å; F404-T432 HydrophobicContact CZ-CG2 4.18Å; F404-T432 WeakPolarHBondContact CZ-OG1 3.11Å; M429-T432 PolarHBondContact O-OG1 2.93Å; L430-T432 PolarHBondContact O-N 3.16Å |
| 433 | G | 66.6 | Low | 73.5 | Confident | 25 Ų | 25 | 42 Ų | 42 | 26% | 0.258 | 23% | 0.229 | S | C | . | . | trans | 91.2 | 161.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L430 V431 S435 L438 | L430-G433 PolarHBondContact O-N 3.47Å; V431-G433 PolarHBondContact O-N 3.01Å; G433-S435 PolarHBondContact O-N 3.2Å; G433-S435 VanDerWaalsContact O-N 3.15Å; G433-L438 VanDerWaalsContact O-CD2 3.27Å; G433-L438 WeakPolarHBondContact O-CD2 3.37Å | ||
| 434 | L | 67.1 | Low | 73.3 | Confident | 78 Ų | 78 | 37 Ų | 37 | 41% | 0.408 | 21% | 0.208 | S | C | . | . | trans | -66.4 | 108.7 | -176.8 | -76.6 | 161.1 | 0 | 0 | 0 | 111.2 | L460 L464 I467 | L434-L460 HydrophobicContact CD2-CD2 3.48Å; L434-L460 VanDerWaalsContact CD2-CD2 3.48Å; L434-L464 HydrophobicContact CD1-CD2 3.76Å; L434-L464 HydrophobicContact CD1-CG 4.36Å; L434-I467 HydrophobicContact CD1-CD1 3.62Å; L434-I467 HydrophobicContact CG-CD1 4.38Å | ||
| 435 | S | 71.5 | Confident | 73.3 | Confident | 42 Ų | 42 | 31.7 Ų | 31.7 | 29% | 0.294 | 18% | 0.179 | S | C | . | . | trans | -119.7 | 158.3 | 167.2 | 74.9 | 0 | 0 | 0 | 0 | 110.6 | G433 T437 L438 S439 | G433-S435 PolarHBondContact O-N 3.2Å; G433-S435 VanDerWaalsContact O-N 3.15Å; S435-T437 VanDerWaalsContact C-N 3.33Å; S435-T437 PolarHBondContact O-N 3.08Å; S435-T437 PolarHBondContact OG-OG1 2.93Å; S435-L438 PolarHBondContact O-N 3.27Å; S435-L438 VanDerWaalsContact OG-CB 3.24Å; S435-L438 WeakPolarHBondContact OG-CB 3.32Å; S435-L438 PolarHBondContact OG-N 3.02Å; S435-L438 VanDerWaalsContact OG-N 3.16Å; S435-S439 PolarHBondContact O-N 3.43Å; S435-S439 PolarHBondContact O-OG 3.48Å | ||
| 436 | S | 65.4 | Low | 73.1 | Confident | 31 Ų | 31 | 32.3 Ų | 32.3 | 22% | 0.217 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.5 | -39.9 | 179.4 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | S439 F440 | S436-S439 PolarHBondContact O-N 3.41Å; S436-F440 PolarHBondContact O-N 2.92Å; S436-F440 VanDerWaalsContact O-N 3.13Å |
| 437 | T | 68.6 | Low | 73.1 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -73.5 | -33.8 | 178.5 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | P401 S435 F440 A441 | P401-T437 HydrophobicContact CB-CG2 4.08Å; S435-T437 VanDerWaalsContact C-N 3.33Å; S435-T437 PolarHBondContact O-N 3.08Å; S435-T437 PolarHBondContact OG-OG1 2.93Å; T437-F440 PolarHBondContact O-N 3.43Å; T437-A441 PolarHBondContact O-N 3.3Å |
| 438 | L | 77.4 | Confident | 73.1 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.6 | -44.4 | 170.5 | 176.3 | 63.3 | 0 | 0 | 0 | 110.8 | F404 M429 G433 S435 F440 A441 L442 | F404-L438 HydrophobicContact CD1-CD1 3.97Å; F404-L438 HydrophobicContact CD2-CB 4.28Å; F404-L438 HydrophobicContact CE1-CD1 3.85Å; F404-L438 HydrophobicContact CE2-CB 4.34Å; F404-L438 HydrophobicContact CG-CB 4.45Å; F404-L438 HydrophobicContact CZ-CD1 4.31Å; M429-L438 HydrophobicContact CB-CD1 3.9Å; M429-L438 HydrophobicContact CE-CD1 3.94Å; M429-L438 WeakPolarHBondContact O-CD2 3.5Å; G433-L438 VanDerWaalsContact O-CD2 3.27Å; G433-L438 WeakPolarHBondContact O-CD2 3.37Å; S435-L438 PolarHBondContact O-N 3.27Å; S435-L438 VanDerWaalsContact OG-CB 3.24Å; S435-L438 WeakPolarHBondContact OG-CB 3.32Å; S435-L438 PolarHBondContact OG-N 3.02Å; S435-L438 VanDerWaalsContact OG-N 3.16Å; L438-F440 VanDerWaalsContact C-N 3.27Å; L438-F440 PolarHBondContact O-N 3.05Å; L438-A441 PolarHBondContact O-N 3.32Å; L438-L442 HydrophobicContact CD1-CD1 4.11Å; L438-L442 HydrophobicContact CD1-CD2 4.46Å; L438-L442 HydrophobicContact CD1-CG 4.02Å; L438-L442 HydrophobicContact CD2-CD1 4.48Å; L438-L442 HydrophobicContact CG-CD1 3.92Å; L438-L442 HydrophobicContact CG-CG 4.24Å; L438-L442 WeakPolarHBondContact O-CB 3.34Å; L438-L442 VanDerWaalsContact O-CG 3.28Å; L438-L442 WeakPolarHBondContact O-CG 3.42Å; L438-L442 PolarHBondContact O-N 3.45Å |
| 439 | S | 71.5 | Confident | 73.3 | Confident | 38 Ų | 38 | 34.9 Ų | 34.9 | 27% | 0.266 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.7 | -38.9 | 177.9 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | S435 S436 Y443 | S435-S439 PolarHBondContact O-N 3.43Å; S435-S439 PolarHBondContact O-OG 3.48Å; S436-S439 PolarHBondContact O-N 3.41Å; S439-Y443 WeakPolarHBondContact O-CB 3.29Å; S439-Y443 PolarHBondContact O-N 3.08Å |
| 440 | F | 71.3 | Confident | 73.2 | Confident | 30 Ų | 30 | 42.2 Ų | 42.2 | 13% | 0.132 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -48.4 | 173.6 | 173.4 | -110.5 | 0 | 0 | 0 | 112.2 | M239 A408 S436 T437 L438 L442 Y443 E444 | M239-F440 HydrophobicContact CE-CE2 4.43Å; M239-F440 HydrophobicContact CE-CZ 4.46Å; M239-F440 HydrophobicContact SD-CD2 3.95Å; M239-F440 HydrophobicContact SD-CE2 3.28Å; M239-F440 WeakPolarHBondContact SD-CE2 3.46Å; M239-F440 HydrophobicContact SD-CZ 3.7Å; A408-F440 HydrophobicContact CB-CD1 3.97Å; A408-F440 HydrophobicContact CB-CE1 3.59Å; A408-F440 HydrophobicContact CB-CZ 4.44Å; S436-F440 PolarHBondContact O-N 2.92Å; S436-F440 VanDerWaalsContact O-N 3.13Å; T437-F440 PolarHBondContact O-N 3.43Å; L438-F440 VanDerWaalsContact C-N 3.27Å; L438-F440 PolarHBondContact O-N 3.05Å; F440-L442 VanDerWaalsContact C-N 3.32Å; F440-L442 PolarHBondContact O-N 3.4Å; F440-Y443 PolarHBondContact O-N 3.49Å; F440-E444 HydrophobicContact CD2-CG 4.17Å; F440-E444 HydrophobicContact CE1-CG 4.2Å; F440-E444 HydrophobicContact CE2-CG 3.58Å; F440-E444 HydrophobicContact CZ-CG 3.61Å; F440-E444 PolarHBondContact O-N 3.21Å |
| 441 | A | 74.6 | Confident | 73.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F404 A408 M429 T437 L438 I445 | F404-A441 HydrophobicContact CB-CB 4.01Å; A408-A441 HydrophobicContact CB-CB 4.26Å; M429-A441 HydrophobicContact CE-CB 3.97Å; T437-A441 PolarHBondContact O-N 3.3Å; L438-A441 PolarHBondContact O-N 3.32Å; A441-I445 WeakPolarHBondContact O-CB 3.27Å; A441-I445 VanDerWaalsContact O-CD1 3.29Å; A441-I445 WeakPolarHBondContact O-CD1 3.49Å; A441-I445 WeakPolarHBondContact O-CG1 3.16Å; A441-I445 PolarHBondContact O-N 3.24Å |
| 442 | L | 77 | Confident | 73.6 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.4 | -36.7 | 176.1 | -68.1 | 177.9 | 0 | 0 | 0 | 112.4 | L426 L430 L438 F440 C446 V456 L460 | L426-L442 HydrophobicContact CD1-CD2 3.49Å; L426-L442 VanDerWaalsContact CD1-CD2 3.49Å; L430-L442 HydrophobicContact CD2-CD1 3.85Å; L430-L442 HydrophobicContact CD2-CD2 4.44Å; L438-L442 HydrophobicContact CD1-CD1 4.11Å; L438-L442 HydrophobicContact CD1-CD2 4.46Å; L438-L442 HydrophobicContact CD1-CG 4.02Å; L438-L442 HydrophobicContact CD2-CD1 4.48Å; L438-L442 HydrophobicContact CG-CD1 3.92Å; L438-L442 HydrophobicContact CG-CG 4.24Å; L438-L442 WeakPolarHBondContact O-CB 3.34Å; L438-L442 VanDerWaalsContact O-CG 3.28Å; L438-L442 WeakPolarHBondContact O-CG 3.42Å; L438-L442 PolarHBondContact O-N 3.45Å; F440-L442 VanDerWaalsContact C-N 3.32Å; F440-L442 PolarHBondContact O-N 3.4Å; L442-C446 PolarHBondContact O-N 3.26Å; L442-C446 PolarHBondContact O-SG 3.25Å; L442-V456 HydrophobicContact CB-CG1 3.9Å; L442-V456 HydrophobicContact CD1-CG1 4.32Å; L442-V456 HydrophobicContact CD2-CG1 3.92Å; L442-V456 HydrophobicContact CD2-CG2 4.19Å; L442-V456 HydrophobicContact CG-CG1 4.25Å; L442-L460 HydrophobicContact CD1-CD1 3.92Å; L442-L460 HydrophobicContact CD1-CD2 4.4Å; L442-L460 HydrophobicContact CD1-CG 4.09Å |
| 443 | Y | 77.8 | Confident | 73.8 | Confident | 150 Ų | 150 | 44.9 Ų | 44.9 | 59% | 0.588 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -65.3 | -50.4 | 175 | 175.4 | -99.3 | 0 | 0 | 0 | 111.9 | S439 F440 I445 C446 V447 | S439-Y443 WeakPolarHBondContact O-CB 3.29Å; S439-Y443 PolarHBondContact O-N 3.08Å; F440-Y443 PolarHBondContact O-N 3.49Å; Y443-I445 VanDerWaalsContact C-N 3.28Å; Y443-I445 PolarHBondContact O-N 3.27Å; Y443-C446 WeakPolarHBondContact O-CA 3.35Å; Y443-C446 WeakPolarHBondContact O-CB 3.42Å; Y443-C446 PolarHBondContact O-N 3.34Å; Y443-V447 HydrophobicContact CD1-CG2 4.22Å; Y443-V447 HydrophobicContact CD2-CG2 4.38Å; Y443-V447 HydrophobicContact CE1-CG2 3.77Å; Y443-V447 HydrophobicContact CE2-CG2 3.94Å; Y443-V447 WeakPolarHBondContact O-CG2 3.37Å; Y443-V447 PolarHBondContact O-N 3.22Å |
| 444 | E | 74.7 | Confident | 74 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.6 | -37.9 | 176.6 | -74.8 | -78.4 | 161.4 | 0 | 0 | 111.6 | A408 R412 F440 V447 H448 | A408-E444 HydrophobicContact CB-CB 4.37Å; A408-E444 HydrophobicContact CB-CG 4.43Å; R412-E444 IonicContact NH1-OE1 3.52Å; F440-E444 HydrophobicContact CD2-CG 4.17Å; F440-E444 HydrophobicContact CE1-CG 4.2Å; F440-E444 HydrophobicContact CE2-CG 3.58Å; F440-E444 HydrophobicContact CZ-CG 3.61Å; F440-E444 PolarHBondContact O-N 3.21Å; E444-V447 PolarHBondContact O-N 3.05Å; E444-H448 WeakPolarHBondContact O-CB 3.43Å; E444-H448 PolarHBondContact O-CD2 2.97Å; E444-H448 PolarHBondContact O-N 2.61Å; E444-H448 IonicContact OE2-CD2 3.86Å; E444-H448 PolarHBondContact OE2-CD2 3.38Å; E444-H448 VanDerWaalsContact OE2-CD2 3.24Å; E444-H448 IonicContact OE2-NE2 3.62Å; E444-H448 PolarHBondContact OE2-NE2 3.17Å |
| 445 | I | 77.9 | Confident | 74.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 171.1 | -69.2 | 162.4 | 0 | 0 | 0 | 110.9 | V411 V422 M429 A441 Y443 M449 L452 V456 | V411-I445 HydrophobicContact CG1-CG1 4.33Å; V411-I445 HydrophobicContact CG2-CG1 4.07Å; V422-I445 HydrophobicContact CG1-CD1 3.75Å; V422-I445 HydrophobicContact CG1-CG1 4.1Å; V422-I445 HydrophobicContact CG1-CG2 4.31Å; M429-I445 HydrophobicContact CE-CD1 4.46Å; A441-I445 WeakPolarHBondContact O-CB 3.27Å; A441-I445 VanDerWaalsContact O-CD1 3.29Å; A441-I445 WeakPolarHBondContact O-CD1 3.49Å; A441-I445 WeakPolarHBondContact O-CG1 3.16Å; A441-I445 PolarHBondContact O-N 3.24Å; Y443-I445 VanDerWaalsContact C-N 3.28Å; Y443-I445 PolarHBondContact O-N 3.27Å; I445-M449 HydrophobicContact CG2-CB 4.44Å; I445-M449 HydrophobicContact CG2-SD 4.33Å; I445-M449 CarbonylContact O-C 3.57Å; I445-M449 VanDerWaalsContact O-CA 3.23Å; I445-M449 WeakPolarHBondContact O-CA 3.22Å; I445-M449 WeakPolarHBondContact O-CB 3.47Å; I445-M449 WeakPolarHBondContact O-CG 3.5Å; I445-M449 PolarHBondContact O-N 3.02Å; I445-L452 HydrophobicContact CG2-CB 4.21Å; I445-L452 HydrophobicContact CG2-CD1 4.13Å; I445-V456 HydrophobicContact CG2-CG2 4.3Å |
| 446 | C | 76.5 | Confident | 74.3 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 12% | 0.122 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 178.8 | -70 | 0 | 0 | 0 | 0 | 113.2 | L442 Y443 K453 | L442-C446 PolarHBondContact O-N 3.26Å; L442-C446 PolarHBondContact O-SG 3.25Å; Y443-C446 WeakPolarHBondContact O-CA 3.35Å; Y443-C446 WeakPolarHBondContact O-CB 3.42Å; Y443-C446 PolarHBondContact O-N 3.34Å; C446-K453 HydrophobicContact CB-CG 4.32Å |
| 447 | V | 76 | Confident | 74.7 | Confident | 80 Ų | 80 | 51.4 Ų | 51.4 | 49% | 0.485 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -72.8 | -44.4 | 179.7 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | Y443 E444 | Y443-V447 HydrophobicContact CD1-CG2 4.22Å; Y443-V447 HydrophobicContact CD2-CG2 4.38Å; Y443-V447 HydrophobicContact CE1-CG2 3.77Å; Y443-V447 HydrophobicContact CE2-CG2 3.94Å; Y443-V447 WeakPolarHBondContact O-CG2 3.37Å; Y443-V447 PolarHBondContact O-N 3.22Å; E444-V447 PolarHBondContact O-N 3.05Å |
| 448 | H | 75.7 | Confident | 74.7 | Confident | 83 Ų | 83 | 57.3 Ų | 57.3 | 38% | 0.384 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -92.4 | -13.9 | -176.6 | -68.4 | -62.3 | 0 | 0 | 0 | 113.9 | V411 E444 | V411-H448 HydrophobicContact CG1-CB 4.05Å; E444-H448 WeakPolarHBondContact O-CB 3.43Å; E444-H448 PolarHBondContact O-CD2 2.97Å; E444-H448 PolarHBondContact O-N 2.61Å; E444-H448 IonicContact OE2-CD2 3.86Å; E444-H448 PolarHBondContact OE2-CD2 3.38Å; E444-H448 VanDerWaalsContact OE2-CD2 3.24Å; E444-H448 IonicContact OE2-NE2 3.62Å; E444-H448 PolarHBondContact OE2-NE2 3.17Å |
| 449 | M | 77.8 | Confident | 74.4 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | trans | -137 | 74.9 | -176.7 | -36.8 | -172.6 | 86.8 | 0 | 0 | 111.9 | V411 G415 H419 V422 I445 S451 L452 | V411-M449 HydrophobicContact CG1-CG 4.18Å; V411-M449 HydrophobicContact CG1-SD 4.12Å; V411-M449 HydrophobicContact CG2-SD 4.4Å; G415-M449 WeakPolarHBondContact O-CE 3.36Å; H419-M449 HydrophobicContact CB-CE 3.6Å; V422-M449 HydrophobicContact CB-SD 4.48Å; V422-M449 HydrophobicContact CG1-SD 4.5Å; V422-M449 HydrophobicContact CG2-SD 4.41Å; I445-M449 HydrophobicContact CG2-CB 4.44Å; I445-M449 HydrophobicContact CG2-SD 4.33Å; I445-M449 CarbonylContact O-C 3.57Å; I445-M449 VanDerWaalsContact O-CA 3.23Å; I445-M449 WeakPolarHBondContact O-CA 3.22Å; I445-M449 WeakPolarHBondContact O-CB 3.47Å; I445-M449 WeakPolarHBondContact O-CG 3.5Å; I445-M449 PolarHBondContact O-N 3.02Å; M449-S451 PolarHBondContact O-N 3.28Å; M449-L452 HydrophobicContact CB-CD1 4.4Å; M449-L452 PolarHBondContact O-N 3.37Å; M449-L452 HydrophobicContact SD-CD1 4.1Å | ||
| 450 | E | 73.7 | Confident | 74.3 | Confident | 154 Ų | 154 | 57.7 Ų | 57.7 | 72% | 0.72 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -25.6 | -173.6 | -154.7 | 170.2 | -157.6 | 0 | 0 | 113.8 | L452 K453 | E450-L452 PolarHBondContact O-N 3.27Å; E450-K453 VanDerWaalsContact O-CB 3.28Å; E450-K453 WeakPolarHBondContact O-CB 3.44Å; E450-K453 PolarHBondContact O-N 3.48Å |
| 451 | S | 76.6 | Confident | 74.1 | Confident | 81 Ų | 81 | 60.7 Ų | 60.7 | 57% | 0.566 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -33.8 | 176.4 | 58.6 | 0 | 0 | 0 | 0 | 114 | H419 M449 | H419-S451 PolarHBondContact CD2-OG 2.96Å; H419-S451 PolarHBondContact NE2-OG 3.23Å; M449-S451 PolarHBondContact O-N 3.28Å |
| 452 | L | 76.5 | Confident | 73.8 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -12.9 | -178 | -67.1 | 176.1 | 0 | 0 | 0 | 112.6 | V422 K423 I445 M449 E450 K454 A455 V456 | V422-L452 HydrophobicContact CB-CD1 4.46Å; V422-L452 HydrophobicContact CG1-CD1 4.09Å; K423-L452 HydrophobicContact CB-CD2 4.05Å; K423-L452 HydrophobicContact CD-CD2 4.26Å; K423-L452 HydrophobicContact CG-CD2 4.01Å; I445-L452 HydrophobicContact CG2-CB 4.21Å; I445-L452 HydrophobicContact CG2-CD1 4.13Å; M449-L452 HydrophobicContact CB-CD1 4.4Å; M449-L452 PolarHBondContact O-N 3.37Å; M449-L452 HydrophobicContact SD-CD1 4.1Å; E450-L452 PolarHBondContact O-N 3.27Å; L452-K454 PolarHBondContact O-N 2.81Å; L452-K454 VanDerWaalsContact O-N 3.15Å; L452-A455 WeakPolarHBondContact O-CA 3.37Å; L452-A455 WeakPolarHBondContact O-CB 3.46Å; L452-A455 PolarHBondContact O-N 2.85Å; L452-V456 WeakPolarHBondContact O-CG2 3.3Å; L452-V456 PolarHBondContact O-N 3.27Å |
| 453 | K | 75.4 | Confident | 73.4 | Confident | 87 Ų | 87 | 65.5 Ų | 65.5 | 38% | 0.378 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -50.4 | -42 | -179.9 | -173 | 173.9 | -179.5 | 175.1 | 0 | 112.9 | C446 E450 H457 | C446-K453 HydrophobicContact CB-CG 4.32Å; E450-K453 VanDerWaalsContact O-CB 3.28Å; E450-K453 WeakPolarHBondContact O-CB 3.44Å; E450-K453 PolarHBondContact O-N 3.48Å; K453-H457 WeakPolarHBondContact O-CB 3.07Å; K453-H457 PolarHBondContact O-CD2 3.08Å; K453-H457 PolarHBondContact O-N 3.15Å |
| 454 | K | 72 | Confident | 72.8 | Confident | 178 Ų | 178 | 61.6 Ų | 61.6 | 77% | 0.774 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.4 | -40.8 | 176.7 | -71 | -175.3 | 178.8 | 179.4 | 0 | 112.9 | L452 R458 | L452-K454 PolarHBondContact O-N 2.81Å; L452-K454 VanDerWaalsContact O-N 3.15Å; K454-R458 VanDerWaalsContact O-CB 3.3Å; K454-R458 WeakPolarHBondContact O-CB 3.49Å; K454-R458 PolarHBondContact O-N 2.99Å |
| 455 | A | 71.5 | Confident | 72.3 | Confident | 47 Ų | 47 | 63.2 Ų | 63.2 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.8 | -42.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L426 L452 R458 G459 | L426-A455 HydrophobicContact CD2-CB 4.13Å; L452-A455 WeakPolarHBondContact O-CA 3.37Å; L452-A455 WeakPolarHBondContact O-CB 3.46Å; L452-A455 PolarHBondContact O-N 2.85Å; A455-R458 PolarHBondContact O-N 3.11Å; A455-G459 PolarHBondContact O-N 3.17Å |
| 456 | V | 72.6 | Confident | 71.9 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.5 | -51.8 | 174.5 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L426 L442 I445 L452 R458 G459 L460 | L426-V456 HydrophobicContact CD1-CG2 3.88Å; L426-V456 HydrophobicContact CD2-CG2 3.86Å; L426-V456 HydrophobicContact CG-CG2 4.49Å; L442-V456 HydrophobicContact CB-CG1 3.9Å; L442-V456 HydrophobicContact CD1-CG1 4.32Å; L442-V456 HydrophobicContact CD2-CG1 3.92Å; L442-V456 HydrophobicContact CD2-CG2 4.19Å; L442-V456 HydrophobicContact CG-CG1 4.25Å; I445-V456 HydrophobicContact CG2-CG2 4.3Å; L452-V456 WeakPolarHBondContact O-CG2 3.3Å; L452-V456 PolarHBondContact O-N 3.27Å; V456-R458 VanDerWaalsContact C-N 3.32Å; V456-R458 PolarHBondContact O-N 3.32Å; V456-G459 PolarHBondContact O-N 2.98Å; V456-L460 HydrophobicContact CG1-CD1 3.88Å; V456-L460 WeakPolarHBondContact O-CB 3.48Å; V456-L460 PolarHBondContact O-N 3.13Å |
| 457 | H | 73 | Confident | 71.3 | Confident | 88 Ų | 88 | 71.7 Ų | 71.7 | 41% | 0.407 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 178.9 | -74.5 | -171.2 | 0 | 0 | 0 | 111.9 | K453 L460 L461 | K453-H457 WeakPolarHBondContact O-CB 3.07Å; K453-H457 PolarHBondContact O-CD2 3.08Å; K453-H457 PolarHBondContact O-N 3.15Å; H457-L460 PolarHBondContact O-N 3.45Å; H457-L461 VanDerWaalsContact O-CB 3.3Å; H457-L461 WeakPolarHBondContact O-CB 3.39Å; H457-L461 WeakPolarHBondContact O-CD1 3.37Å; H457-L461 WeakPolarHBondContact O-CG 3.26Å; H457-L461 PolarHBondContact O-N 3.02Å |
| 458 | R | 70.1 | Confident | 70.7 | Confident | 135 Ų | 135 | 72 Ų | 72 | 51% | 0.509 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.6 | -49 | 176.1 | -179.2 | -178.8 | 173.7 | 174.4 | 2.9 | 111.5 | K454 A455 V456 L460 L461 E462 | K454-R458 VanDerWaalsContact O-CB 3.3Å; K454-R458 WeakPolarHBondContact O-CB 3.49Å; K454-R458 PolarHBondContact O-N 2.99Å; A455-R458 PolarHBondContact O-N 3.11Å; V456-R458 VanDerWaalsContact C-N 3.32Å; V456-R458 PolarHBondContact O-N 3.32Å; R458-L460 PolarHBondContact O-N 3.14Å; R458-L461 PolarHBondContact O-N 3.38Å; R458-E462 IonicContact CZ-OE1 3.37Å; R458-E462 IonicContact NE-OE1 2.72Å; R458-E462 PolarHBondContact NE-OE1 2.84Å; R458-E462 IonicContact NH2-OE1 3.61Å; R458-E462 WeakPolarHBondContact O-CG 3.49Å; R458-E462 PolarHBondContact O-N 3.37Å |
| 459 | G | 69.2 | Low | 69.9 | Low | 10 Ų | 10 | 71.5 Ų | 71.5 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A455 V456 Q463 | A455-G459 PolarHBondContact O-N 3.17Å; V456-G459 PolarHBondContact O-N 2.98Å; G459-Q463 WeakPolarHBondContact O-CG 3.33Å; G459-Q463 PolarHBondContact O-N 2.7Å; G459-Q463 VanDerWaalsContact O-N 3.08Å |
| 460 | L | 70.2 | Confident | 69.2 | Low | 38 Ų | 38 | 79.2 Ų | 79.2 | 20% | 0.199 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 173.5 | -91 | 161.4 | 0 | 0 | 0 | 112.2 | L430 L434 L442 V456 H457 R458 Q463 L464 | L430-L460 HydrophobicContact CD2-CG 4.47Å; L434-L460 HydrophobicContact CD2-CD2 3.48Å; L434-L460 VanDerWaalsContact CD2-CD2 3.48Å; L442-L460 HydrophobicContact CD1-CD1 3.92Å; L442-L460 HydrophobicContact CD1-CD2 4.4Å; L442-L460 HydrophobicContact CD1-CG 4.09Å; V456-L460 HydrophobicContact CG1-CD1 3.88Å; V456-L460 WeakPolarHBondContact O-CB 3.48Å; V456-L460 PolarHBondContact O-N 3.13Å; H457-L460 PolarHBondContact O-N 3.45Å; R458-L460 PolarHBondContact O-N 3.14Å; L460-Q463 PolarHBondContact O-N 3.34Å; L460-L464 WeakPolarHBondContact O-CB 3.18Å; L460-L464 VanDerWaalsContact O-CG 3.27Å; L460-L464 WeakPolarHBondContact O-CG 3.49Å; L460-L464 PolarHBondContact O-N 3.08Å |
| 461 | L | 67.7 | Low | 68.3 | Low | 92 Ų | 92 | 77.6 Ų | 77.6 | 48% | 0.482 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 177 | -86.1 | 159.7 | 0 | 0 | 0 | 111.9 | H457 R458 Q463 L464 Y465 | H457-L461 VanDerWaalsContact O-CB 3.3Å; H457-L461 WeakPolarHBondContact O-CB 3.39Å; H457-L461 WeakPolarHBondContact O-CD1 3.37Å; H457-L461 WeakPolarHBondContact O-CG 3.26Å; H457-L461 PolarHBondContact O-N 3.02Å; R458-L461 PolarHBondContact O-N 3.38Å; L461-Q463 VanDerWaalsContact C-N 3.32Å; L461-Q463 PolarHBondContact O-N 3.05Å; L461-L464 PolarHBondContact O-N 3.26Å; L461-Y465 WeakPolarHBondContact O-CB 3.31Å; L461-Y465 PolarHBondContact O-N 3.45Å |
| 462 | E | 68.4 | Low | 67.2 | Low | 75 Ų | 75 | 82 Ų | 82 | 35% | 0.35 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 175.5 | -76.6 | 174.4 | -168.3 | 0 | 0 | 111.1 | R458 Q466 M473 | R458-E462 IonicContact CZ-OE1 3.37Å; R458-E462 IonicContact NE-OE1 2.72Å; R458-E462 PolarHBondContact NE-OE1 2.84Å; R458-E462 IonicContact NH2-OE1 3.61Å; R458-E462 WeakPolarHBondContact O-CG 3.49Å; R458-E462 PolarHBondContact O-N 3.37Å; E462-Q466 WeakPolarHBondContact O-CB 3.46Å; E462-Q466 PolarHBondContact O-N 3.07Å; E462-M473 HydrophobicContact CG-CB 4.33Å; E462-M473 HydrophobicContact CG-CE 4.44Å; E462-M473 HydrophobicContact CG-SD 4.21Å |
| 463 | Q | 67.5 | Low | 65.8 | Low | 30 Ų | 30 | 83.6 Ų | 83.6 | 14% | 0.14 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.9 | -45.9 | 174.9 | -75.1 | -144.9 | -38.2 | 0 | 0 | 113.4 | L430 G459 L460 L461 Y465 Q466 I467 | L430-Q463 PolarHBondContact O-NE2 3.5Å; L430-Q463 PolarHBondContact O-OE1 2.85Å; G459-Q463 WeakPolarHBondContact O-CG 3.33Å; G459-Q463 PolarHBondContact O-N 2.7Å; G459-Q463 VanDerWaalsContact O-N 3.08Å; L460-Q463 PolarHBondContact O-N 3.34Å; L461-Q463 VanDerWaalsContact C-N 3.32Å; L461-Q463 PolarHBondContact O-N 3.05Å; Q463-Y465 VanDerWaalsContact C-N 3.3Å; Q463-Y465 PolarHBondContact O-N 3.35Å; Q463-Q466 PolarHBondContact O-N 2.99Å; Q463-I467 WeakPolarHBondContact O-CB 3.5Å; Q463-I467 WeakPolarHBondContact O-CD1 3.49Å; Q463-I467 WeakPolarHBondContact O-CG1 3.44Å; Q463-I467 PolarHBondContact O-N 2.94Å |
| 464 | L | 64.9 | Low | 64.7 | Low | 68 Ų | 68 | 82.1 Ų | 82.1 | 36% | 0.356 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 177.3 | -75 | 166.4 | 0 | 0 | 0 | 110.7 | L434 L460 L461 Q466 I467 L468 | L434-L464 HydrophobicContact CD1-CD2 3.76Å; L434-L464 HydrophobicContact CD1-CG 4.36Å; L460-L464 WeakPolarHBondContact O-CB 3.18Å; L460-L464 VanDerWaalsContact O-CG 3.27Å; L460-L464 WeakPolarHBondContact O-CG 3.49Å; L460-L464 PolarHBondContact O-N 3.08Å; L461-L464 PolarHBondContact O-N 3.26Å; L464-Q466 PolarHBondContact O-N 3.39Å; L464-I467 PolarHBondContact O-N 2.88Å; L464-L468 HydrophobicContact CB-CD1 4.44Å; L464-L468 VanDerWaalsContact O-CB 3.22Å; L464-L468 WeakPolarHBondContact O-CB 3.28Å; L464-L468 WeakPolarHBondContact O-CG 3.49Å; L464-L468 PolarHBondContact O-N 3.5Å |
| 465 | Y | 65.7 | Low | 63.6 | Low | 50 Ų | 50 | 78 Ų | 78 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 175.5 | -167.8 | -85.1 | 0 | 0 | 0 | 111.3 | L461 Q463 L469 Q471 M473 I477 | L461-Y465 WeakPolarHBondContact O-CB 3.31Å; L461-Y465 PolarHBondContact O-N 3.45Å; Q463-Y465 VanDerWaalsContact C-N 3.3Å; Q463-Y465 PolarHBondContact O-N 3.35Å; Y465-L469 HydrophobicContact CD1-CD1 4.46Å; Y465-L469 HydrophobicContact CD2-CD1 3.66Å; Y465-L469 HydrophobicContact CE1-CD1 4.2Å; Y465-L469 HydrophobicContact CE2-CD1 3.35Å; Y465-L469 HydrophobicContact CG-CD1 4.2Å; Y465-L469 WeakPolarHBondContact O-CB 3.42Å; Y465-L469 PolarHBondContact O-N 2.93Å; Y465-Q471 VanDerWaalsContact CD1-O 3.25Å; Y465-Q471 WeakPolarHBondContact CD1-O 3.02Å; Y465-Q471 HydrophobicContact CE1-CB 3.95Å; Y465-M473 HydrophobicContact CD1-CB 3.97Å; Y465-M473 HydrophobicContact CD1-CG 4.37Å; Y465-M473 HydrophobicContact CD2-CG 4.24Å; Y465-M473 HydrophobicContact CE1-CB 4.42Å; Y465-M473 HydrophobicContact CG-CB 4.13Å; Y465-M473 HydrophobicContact CG-CG 4.15Å; Y465-I477 HydrophobicContact CE2-CD1 4.46Å |
| 466 | Q | 68 | Low | 62.4 | Low | 109 Ų | 109 | 80.8 Ų | 80.8 | 51% | 0.509 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 176.8 | -170.3 | 179.5 | 2.8 | 0 | 0 | 112.9 | E462 Q463 L464 H470 Q471 | E462-Q466 WeakPolarHBondContact O-CB 3.46Å; E462-Q466 PolarHBondContact O-N 3.07Å; Q463-Q466 PolarHBondContact O-N 2.99Å; L464-Q466 PolarHBondContact O-N 3.39Å; Q466-H470 WeakPolarHBondContact O-CA 3.44Å; Q466-H470 PolarHBondContact O-N 3.03Å; Q466-H470 VanDerWaalsContact O-N 3.11Å; Q466-Q471 WeakPolarHBondContact CA-O 3.44Å |
| 467 | I | 65.4 | Low | 61.1 | Low | 88 Ų | 88 | 84.9 Ų | 84.9 | 45% | 0.451 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -74.9 | -44.4 | -179.4 | -69.9 | 166.2 | 0 | 0 | 0 | 111.1 | L434 Q463 L464 | L434-I467 HydrophobicContact CD1-CD1 3.62Å; L434-I467 HydrophobicContact CG-CD1 4.38Å; Q463-I467 WeakPolarHBondContact O-CB 3.5Å; Q463-I467 WeakPolarHBondContact O-CD1 3.49Å; Q463-I467 WeakPolarHBondContact O-CG1 3.44Å; Q463-I467 PolarHBondContact O-N 2.94Å; L464-I467 PolarHBondContact O-N 2.88Å |
| 468 | L | 62.2 | Low | 59.5 | Low | 87 Ų | 87 | 83.5 Ų | 83.5 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -81.7 | -31.4 | -175 | -63.7 | 171 | 0 | 0 | 0 | 113.2 | L464 Y496 | L464-L468 HydrophobicContact CB-CD1 4.44Å; L464-L468 VanDerWaalsContact O-CB 3.22Å; L464-L468 WeakPolarHBondContact O-CB 3.28Å; L464-L468 WeakPolarHBondContact O-CG 3.49Å; L464-L468 PolarHBondContact O-N 3.5Å; L468-Y496 PolarHBondContact O-OH 2.66Å |
| 469 | L | 60 | Low | 57.9 | Low | 72 Ų | 72 | 82 Ų | 82 | 38% | 0.377 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -116.5 | -3.4 | -174.5 | -64.9 | 165.8 | 0 | 0 | 0 | 113.9 | Y465 Q471 A492 | Y465-L469 HydrophobicContact CD1-CD1 4.46Å; Y465-L469 HydrophobicContact CD2-CD1 3.66Å; Y465-L469 HydrophobicContact CE1-CD1 4.2Å; Y465-L469 HydrophobicContact CE2-CD1 3.35Å; Y465-L469 HydrophobicContact CG-CD1 4.2Å; Y465-L469 WeakPolarHBondContact O-CB 3.42Å; Y465-L469 PolarHBondContact O-N 2.93Å; L469-Q471 WeakPolarHBondContact O-CG 3.48Å; L469-Q471 PolarHBondContact O-N 3.41Å; L469-A492 HydrophobicContact CD2-CB 4.45Å |
| 470 | H | 61.9 | Low | 56.2 | Low | 167 Ų | 167 | 89.2 Ų | 89.2 | 77% | 0.773 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 51.7 | 24.1 | -174.8 | -61 | -41 | 0 | 0 | 0 | 114.3 | Q466 | Q466-H470 WeakPolarHBondContact O-CA 3.44Å; Q466-H470 PolarHBondContact O-N 3.03Å; Q466-H470 VanDerWaalsContact O-N 3.11Å |
| 471 | Q | 56 | Low | 54.4 | Low | 121 Ų | 121 | 95 Ų | 95 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -125.5 | 156.7 | -177.8 | -72.6 | 179.7 | 12.4 | 0 | 0 | 110.9 | Y465 Q466 L469 | Y465-Q471 VanDerWaalsContact CD1-O 3.25Å; Y465-Q471 WeakPolarHBondContact CD1-O 3.02Å; Y465-Q471 HydrophobicContact CE1-CB 3.95Å; Q466-Q471 WeakPolarHBondContact CA-O 3.44Å; L469-Q471 WeakPolarHBondContact O-CG 3.48Å; L469-Q471 PolarHBondContact O-N 3.41Å |
| 472 | Q | 52.8 | Low | 52.6 | Low | 172 Ų | 172 | 100 Ų | 100 | 80% | 0.804 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -80.8 | 138.1 | 171.3 | -74.5 | -170.7 | -14.6 | 0 | 0 | 110.4 | P474 | Q472-P474 WeakPolarHBondContact O-CD 3.47Š|
| 473 | M | 48.2 | Very low | 51 | Low | 41 Ų | 41 | 100.4 Ų | 100.4 | 20% | 0.202 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 126.3 | -176.8 | -162.5 | -176.7 | 88.9 | 0 | 0 | 111.1 | E462 Y465 I477 | E462-M473 HydrophobicContact CG-CB 4.33Å; E462-M473 HydrophobicContact CG-CE 4.44Å; E462-M473 HydrophobicContact CG-SD 4.21Å; Y465-M473 HydrophobicContact CD1-CB 3.97Å; Y465-M473 HydrophobicContact CD1-CG 4.37Å; Y465-M473 HydrophobicContact CD2-CG 4.24Å; Y465-M473 HydrophobicContact CE1-CB 4.42Å; Y465-M473 HydrophobicContact CG-CB 4.13Å; Y465-M473 HydrophobicContact CG-CG 4.15Å; M473-I477 HydrophobicContact CE-CB 3.8Å; M473-I477 HydrophobicContact CE-CG2 3.98Å; M473-I477 HydrophobicContact CG-CB 4.4Å; M473-I477 HydrophobicContact CG-CD1 4.05Å; M473-I477 HydrophobicContact SD-CB 4.13Å; M473-I477 HydrophobicContact SD-CG2 3.95Å |
| 474 | P | 52.5 | Low | 49.2 | Very low | 55 Ų | 55 | 108.3 Ų | 108.3 | 36% | 0.357 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 142.9 | 174.9 | -20.9 | 32.3 | 0 | 0 | 0 | 111.9 | Q472 S476 I477 | Q472-P474 WeakPolarHBondContact O-CD 3.47Å; P474-S476 PolarHBondContact O-N 3.4Å; P474-I477 PolarHBondContact O-N 3.11Å |
| 475 | A | 48.4 | Very low | 48 | Very low | 92 Ų | 92 | 110.6 Ų | 110.6 | 76% | 0.76 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -1.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | T478 | A475-T478 PolarHBondContact O-OG1 3.05Š|
| 476 | S | 45.1 | Very low | 46.7 | Very low | 106 Ų | 106 | 112.5 Ų | 112.5 | 74% | 0.741 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -15.5 | 177.1 | 43.9 | 0 | 0 | 0 | 0 | 114 | P474 T478 | P474-S476 PolarHBondContact O-N 3.4Å; S476-T478 VanDerWaalsContact C-N 3.32Å |
| 477 | I | 45.5 | Very low | 45.4 | Very low | 86 Ų | 86 | 116.3 Ų | 116.3 | 44% | 0.441 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -88.4 | -1.7 | -179.2 | -60.1 | 171.5 | 0 | 0 | 0 | 111.6 | Y465 M473 P474 V479 | Y465-I477 HydrophobicContact CE2-CD1 4.46Å; M473-I477 HydrophobicContact CE-CB 3.8Å; M473-I477 HydrophobicContact CE-CG2 3.98Å; M473-I477 HydrophobicContact CG-CB 4.4Å; M473-I477 HydrophobicContact CG-CD1 4.05Å; M473-I477 HydrophobicContact SD-CB 4.13Å; M473-I477 HydrophobicContact SD-CG2 3.95Å; P474-I477 PolarHBondContact O-N 3.11Å; I477-V479 VanDerWaalsContact C-N 3.31Å; I477-V479 PolarHBondContact O-N 2.85Å |
| 478 | T | 40.4 | Very low | 44.4 | Very low | 60 Ų | 60 | 119.8 Ų | 119.8 | 37% | 0.368 | 63% | 0.625 | S | S | . | * | trans | -79.5 | -1.2 | -167.5 | -22.9 | 0 | 0 | 0 | 0 | 115.3 | A475 S476 | A475-T478 PolarHBondContact O-OG1 3.05Å; S476-T478 VanDerWaalsContact C-N 3.32Å | ||
| 479 | V | 35.6 | Very low | 43.7 | Very low | 102 Ų | 102 | 119.1 Ų | 119.1 | 62% | 0.618 | 63% | 0.626 | S | S | * | * | trans | -123.6 | 98.4 | 179.9 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | I477 Q481 | I477-V479 VanDerWaalsContact C-N 3.31Å; I477-V479 PolarHBondContact O-N 2.85Å; V479-Q481 HydrophobicContact CG1-CB 3.97Å; V479-Q481 PolarHBondContact O-N 2.94Å | ||
| 480 | L | 33.5 | Very low | 43 | Very low | 163 Ų | 163 | 117.8 Ų | 117.8 | 85% | 0.853 | 62% | 0.621 | S | S | * | * | trans | -72.2 | 61 | 163.8 | -82.3 | 165.3 | 0 | 0 | 0 | 110.3 | ||||
| 481 | Q | 33.5 | Very low | 42.3 | Very low | 159 Ų | 159 | 114.8 Ų | 114.8 | 74% | 0.743 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -129.7 | 118.1 | 156.6 | -79.3 | -175.2 | -31.7 | 0 | 0 | 106.8 | V479 | V479-Q481 HydrophobicContact CG1-CB 3.97Å; V479-Q481 PolarHBondContact O-N 2.94Å |
| 482 | Q | 29.5 | Very low | 41.9 | Very low | 197 Ų | 197 | 110.8 Ų | 110.8 | 92% | 0.921 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 41.6 | 93.8 | 170.8 | -69 | -176.9 | -21.8 | 0 | 0 | 115.8 | H484 | Q482-H484 PolarHBondContact O-N 2.76Š|
| 483 | V | 34.1 | Very low | 41.8 | Very low | 84 Ų | 84 | 103 Ų | 103 | 51% | 0.509 | 57% | 0.57 | S | S | . | * | trans | -69.9 | 114.1 | 178.1 | 179.4 | 0 | 0 | 0 | 0 | 111 | F485 | V483-F485 HydrophobicContact CB-CD2 4.42Å; V483-F485 HydrophobicContact CB-CE2 4.18Å; V483-F485 HydrophobicContact CB-CZ 4.31Å; V483-F485 HydrophobicContact CG1-CB 4.32Å; V483-F485 HydrophobicContact CG1-CD1 3.8Å; V483-F485 HydrophobicContact CG1-CD2 3.79Å; V483-F485 HydrophobicContact CG1-CE1 3.96Å; V483-F485 HydrophobicContact CG1-CE2 3.94Å; V483-F485 HydrophobicContact CG1-CG 3.7Å; V483-F485 HydrophobicContact CG1-CZ 4.02Å | ||
| 484 | H | 31 | Very low | 42 | Very low | 195 Ų | 195 | 105.8 Ų | 105.8 | 90% | 0.903 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 119.5 | 141 | -96.7 | -61.1 | 0 | 0 | 0 | 107.5 | Q482 | Q482-H484 PolarHBondContact O-N 2.76Š|
| 485 | F | 38.2 | Very low | 42.3 | Very low | 117 Ų | 117 | 105.6 Ų | 105.6 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -78.1 | 138.5 | -170.4 | -75.2 | -93.2 | 0 | 0 | 0 | 113.5 | V483 L535 | V483-F485 HydrophobicContact CB-CD2 4.42Å; V483-F485 HydrophobicContact CB-CE2 4.18Å; V483-F485 HydrophobicContact CB-CZ 4.31Å; V483-F485 HydrophobicContact CG1-CB 4.32Å; V483-F485 HydrophobicContact CG1-CD1 3.8Å; V483-F485 HydrophobicContact CG1-CD2 3.79Å; V483-F485 HydrophobicContact CG1-CE1 3.96Å; V483-F485 HydrophobicContact CG1-CE2 3.94Å; V483-F485 HydrophobicContact CG1-CG 3.7Å; V483-F485 HydrophobicContact CG1-CZ 4.02Å; F485-L535 HydrophobicContact CD1-CD1 4.11Å; F485-L535 HydrophobicContact CD2-CD1 3.48Å; F485-L535 VanDerWaalsContact CD2-CD1 3.48Å; F485-L535 HydrophobicContact CE1-CD1 3.83Å; F485-L535 HydrophobicContact CE2-CD1 3.17Å; F485-L535 HydrophobicContact CG-CD1 3.95Å; F485-L535 HydrophobicContact CZ-CD1 3.37Å |
| 486 | P | 38.5 | Very low | 42.9 | Very low | 89 Ų | 89 | 105.3 Ų | 105.3 | 58% | 0.578 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 140.4 | 162.2 | 33.9 | -29.8 | 0 | 0 | 0 | 110.7 | Q488 | P486-Q488 PolarHBondContact O-N 3.01Š|
| 487 | Q | 41.8 | Very low | 43.8 | Very low | 190 Ų | 190 | 100.9 Ų | 100.9 | 89% | 0.888 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -68.5 | 24.9 | -174.7 | -66.4 | -179 | -29.4 | 0 | 0 | 116.2 | ||
| 488 | Q | 44.8 | Very low | 44.7 | Very low | 160 Ų | 160 | 99.8 Ų | 99.8 | 75% | 0.748 | 55% | 0.552 | S | S | * | * | trans | -114 | -0.3 | -164.2 | -82.6 | -173.3 | -19.3 | 0 | 0 | 120.6 | P486 V490 | P486-Q488 PolarHBondContact O-N 3.01Å; Q488-V490 PolarHBondContact O-N 3.24Å | ||
| 489 | P | 47.1 | Very low | 46.2 | Very low | 73 Ų | 73 | 97.9 Ų | 97.9 | 47% | 0.474 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -11.9 | 179.8 | 29.3 | -31.8 | 0 | 0 | 0 | 114.2 | S491 L538 | P489-S491 VanDerWaalsContact C-N 3.31Å; P489-S491 PolarHBondContact O-N 3.22Å; P489-L538 HydrophobicContact CG-CD1 3.9Å; P489-L538 HydrophobicContact CG-CD2 4.14Å |
| 490 | V | 44.5 | Very low | 47.9 | Very low | 45 Ų | 45 | 101.8 Ų | 101.8 | 27% | 0.273 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -76.1 | -14.5 | -179.5 | -171.1 | 0 | 0 | 0 | 0 | 113 | Q488 S493 N494 L538 | Q488-V490 PolarHBondContact O-N 3.24Å; V490-S493 PolarHBondContact O-OG 3.39Å; V490-S493 VanDerWaalsContact O-OG 3.12Å; V490-N494 PolarHBondContact O-ND2 3.17Å; V490-L538 HydrophobicContact CG2-CD1 4.14Å; V490-L538 HydrophobicContact CG2-CG 4.27Å |
| 491 | S | 47.7 | Very low | 49.6 | Very low | 103 Ų | 103 | 101 Ų | 101 | 72% | 0.72 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -81.6 | -20.5 | 178 | 177.5 | 0 | 0 | 0 | 0 | 113.6 | P489 | P489-S491 VanDerWaalsContact C-N 3.31Å; P489-S491 PolarHBondContact O-N 3.22Å |
| 492 | A | 47.6 | Very low | 51.6 | Low | 37 Ų | 37 | 96.9 Ų | 96.9 | 31% | 0.306 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -91.4 | -29.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L469 N494 G495 Y496 | L469-A492 HydrophobicContact CD2-CB 4.45Å; A492-N494 VanDerWaalsContact C-N 3.34Å; A492-N494 PolarHBondContact O-N 2.97Å; A492-G495 PolarHBondContact O-N 2.94Å; A492-Y496 VanDerWaalsContact O-CD2 3.29Å; A492-Y496 WeakPolarHBondContact O-CD2 3.47Å |
| 493 | S | 51.1 | Low | 53.5 | Low | 9 Ų | 9 | 92.8 Ų | 92.8 | 6% | 0.063 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 178.5 | 56 | 0 | 0 | 0 | 0 | 112.1 | V490 G495 Y496 L497 E545 | V490-S493 PolarHBondContact O-OG 3.39Å; V490-S493 VanDerWaalsContact O-OG 3.12Å; S493-G495 VanDerWaalsContact C-N 3.3Å; S493-G495 PolarHBondContact O-N 3.46Å; S493-Y496 PolarHBondContact O-N 3.32Å; S493-L497 VanDerWaalsContact O-CB 3.3Å; S493-L497 WeakPolarHBondContact O-CB 3.46Å; S493-L497 WeakPolarHBondContact O-CG 3.26Å; S493-L497 PolarHBondContact O-N 2.97Å; S493-L497 VanDerWaalsContact O-N 3.12Å; S493-E545 WeakPolarHBondContact CB-OE2 3.41Å; S493-E545 PolarHBondContact OG-OE2 3.4Å |
| 494 | N | 52.6 | Low | 55.2 | Low | 100 Ų | 100 | 91.6 Ų | 91.6 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -28.5 | -179.6 | -83 | -61.3 | 0 | 0 | 0 | 114.4 | V490 A492 E545 | V490-N494 PolarHBondContact O-ND2 3.17Å; A492-N494 VanDerWaalsContact C-N 3.34Å; A492-N494 PolarHBondContact O-N 2.97Å; N494-E545 PolarHBondContact ND2-OE1 2.94Å; N494-E545 PolarHBondContact OD1-OE1 3.33Å |
| 495 | G | 58.4 | Low | 57.3 | Low | 51 Ų | 51 | 83.3 Ų | 83.3 | 53% | 0.526 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -80.8 | -38.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | A492 S493 | A492-G495 PolarHBondContact O-N 2.94Å; S493-G495 VanDerWaalsContact C-N 3.3Å; S493-G495 PolarHBondContact O-N 3.46Å |
| 496 | Y | 60.7 | Low | 58.9 | Low | 86 Ų | 86 | 78.2 Ų | 78.2 | 34% | 0.337 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -88.5 | -34.6 | -174.3 | -70 | -70.8 | 0 | 0 | 0 | 113.3 | L468 A492 S493 G498 S499 V504 | L468-Y496 PolarHBondContact O-OH 2.66Å; A492-Y496 VanDerWaalsContact O-CD2 3.29Å; A492-Y496 WeakPolarHBondContact O-CD2 3.47Å; S493-Y496 PolarHBondContact O-N 3.32Å; Y496-G498 PolarHBondContact O-N 3.43Å; Y496-S499 WeakPolarHBondContact O-CB 3.3Å; Y496-S499 PolarHBondContact O-N 3.04Å; Y496-S499 PolarHBondContact O-OG 2.9Å; Y496-V504 HydrophobicContact CD1-CG1 3.73Å |
| 497 | L | 64.1 | Low | 60.4 | Low | 13 Ų | 13 | 77.7 Ų | 77.7 | 7% | 0.068 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.6 | -26.9 | 173.8 | -70.2 | 173.3 | 0 | 0 | 0 | 112.2 | S493 R505 A508 V509 L512 E545 V549 | S493-L497 VanDerWaalsContact O-CB 3.3Å; S493-L497 WeakPolarHBondContact O-CB 3.46Å; S493-L497 WeakPolarHBondContact O-CG 3.26Å; S493-L497 PolarHBondContact O-N 2.97Å; S493-L497 VanDerWaalsContact O-N 3.12Å; L497-R505 VanDerWaalsContact O-CD 3.24Å; L497-R505 WeakPolarHBondContact O-CD 3.35Å; L497-A508 HydrophobicContact CD2-CB 4.3Å; L497-V509 HydrophobicContact CD2-CG2 3.83Å; L497-L512 HydrophobicContact CD1-CD1 4.03Å; L497-L512 HydrophobicContact CD2-CD1 4.13Å; L497-L512 HydrophobicContact CG-CD1 4.22Å; L497-E545 HydrophobicContact CD1-CB 4.27Å; L497-V549 HydrophobicContact CB-CG2 3.98Å; L497-V549 HydrophobicContact CD1-CG2 4.38Å; L497-V549 HydrophobicContact CD2-CG2 4.28Å; L497-V549 HydrophobicContact CG-CG2 4.44Å |
| 498 | G | 65 | Low | 61.8 | Low | 62 Ų | 62 | 69.5 Ų | 69.5 | 64% | 0.639 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 9.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y496 | Y496-G498 PolarHBondContact O-N 3.43Š|
| 499 | S | 70.3 | Confident | 63.1 | Low | 21 Ų | 21 | 61.9 Ų | 61.9 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | trans | -71.1 | 144 | -175.5 | 83.8 | 0 | 0 | 0 | 0 | 112.4 | Y496 F501 V504 R505 | Y496-S499 WeakPolarHBondContact O-CB 3.3Å; Y496-S499 PolarHBondContact O-N 3.04Å; Y496-S499 PolarHBondContact O-OG 2.9Å; S499-F501 PolarHBondContact O-N 3.39Å; S499-F501 PolarHBondContact OG-O 3.46Å; S499-V504 WeakPolarHBondContact OG-CB 3.36Å; S499-V504 WeakPolarHBondContact OG-CG1 3.18Å; S499-R505 WeakPolarHBondContact O-CD 3.36Å; S499-R505 VanDerWaalsContact O-CG 3.31Å; S499-R505 WeakPolarHBondContact O-CG 3.37Å; S499-R505 PolarHBondContact O-NH1 3.41Å | ||
| 500 | E | 71.2 | Confident | 64.1 | Low | 183 Ų | 183 | 59.7 Ų | 59.7 | 86% | 0.855 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -65 | -19.3 | 178.4 | -65.2 | -173.5 | 167.6 | 0 | 0 | 112.7 | R505 | E500-R505 PolarHBondContact O-NH1 2.97Š|
| 501 | F | 70.4 | Confident | 65.3 | Low | 147 Ų | 147 | 60.6 Ų | 60.6 | 65% | 0.645 | 35% | 0.345 | S | S | * | . | trans | -90.9 | 120.1 | -174.1 | -60.8 | -75.6 | 0 | 0 | 0 | 112.6 | S499 D503 V504 R505 | S499-F501 PolarHBondContact O-N 3.39Å; S499-F501 PolarHBondContact OG-O 3.46Å; F501-D503 PolarHBondContact O-N 3.26Å; F501-V504 HydrophobicContact CB-CB 4.27Å; F501-V504 HydrophobicContact CB-CG2 3.98Å; F501-V504 PolarHBondContact O-N 2.97Å; F501-R505 PolarHBondContact O-N 2.91Å | ||
| 502 | Y | 74.8 | Confident | 66.4 | Low | 73 Ų | 73 | 57.5 Ų | 57.5 | 29% | 0.286 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -51.1 | -49.2 | -179.9 | 165.2 | -92.4 | 0 | 0 | 0 | 113.5 | V504 R505 L506 D555 R557 I558 | Y502-V504 VanDerWaalsContact C-N 3.3Å; Y502-V504 PolarHBondContact O-N 3.42Å; Y502-R505 PolarHBondContact O-N 2.97Å; Y502-L506 HydrophobicContact CE1-CD2 4.11Å; Y502-L506 WeakPolarHBondContact O-CB 3.38Å; Y502-L506 PolarHBondContact O-N 3.47Å; Y502-D555 HydrophobicContact CD2-CB 4.49Å; Y502-R557 HydrophobicContact CE2-CB 4.35Å; Y502-I558 HydrophobicContact CD2-CD1 3.71Å; Y502-I558 HydrophobicContact CD2-CG1 3.87Å; Y502-I558 HydrophobicContact CE2-CD1 4.12Å; Y502-I558 HydrophobicContact CE2-CG1 3.72Å |
| 503 | D | 69 | Low | 67.4 | Low | 111 Ų | 111 | 56 Ų | 56 | 59% | 0.594 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.5 | -36.1 | -175.4 | -58.4 | -45.5 | 0 | 0 | 0 | 112.2 | F501 L506 E507 | F501-D503 PolarHBondContact O-N 3.26Å; D503-L506 PolarHBondContact O-N 3.45Å; D503-E507 PolarHBondContact O-N 2.96Å |
| 504 | V | 71.1 | Confident | 68.3 | Low | 58 Ų | 58 | 63.7 Ų | 63.7 | 35% | 0.352 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.8 | -42 | -179.7 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | Y496 S499 F501 Y502 A508 | Y496-V504 HydrophobicContact CD1-CG1 3.73Å; S499-V504 WeakPolarHBondContact OG-CB 3.36Å; S499-V504 WeakPolarHBondContact OG-CG1 3.18Å; F501-V504 HydrophobicContact CB-CB 4.27Å; F501-V504 HydrophobicContact CB-CG2 3.98Å; F501-V504 PolarHBondContact O-N 2.97Å; Y502-V504 VanDerWaalsContact C-N 3.3Å; Y502-V504 PolarHBondContact O-N 3.42Å; V504-A508 WeakPolarHBondContact O-CB 3.27Å; V504-A508 PolarHBondContact O-N 3.3Å |
| 505 | R | 73.9 | Confident | 69 | Low | 22 Ų | 22 | 62.9 Ų | 62.9 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.1 | -46 | 173.6 | -64.6 | -157.7 | -56.6 | -75.8 | 3 | 111.2 | L497 S499 E500 F501 Y502 A508 V509 D553 D555 I558 | L497-R505 VanDerWaalsContact O-CD 3.24Å; L497-R505 WeakPolarHBondContact O-CD 3.35Å; S499-R505 WeakPolarHBondContact O-CD 3.36Å; S499-R505 VanDerWaalsContact O-CG 3.31Å; S499-R505 WeakPolarHBondContact O-CG 3.37Å; S499-R505 PolarHBondContact O-NH1 3.41Å; E500-R505 PolarHBondContact O-NH1 2.97Å; F501-R505 PolarHBondContact O-N 2.91Å; Y502-R505 PolarHBondContact O-N 2.97Å; R505-A508 PolarHBondContact O-N 3.47Å; R505-V509 WeakPolarHBondContact O-CG2 3.25Å; R505-V509 PolarHBondContact O-N 2.99Å; R505-D553 IonicContact CZ-OD1 3.83Å; R505-D553 IonicContact CZ-OD2 2.72Å; R505-D553 IonicContact NE-OD1 3.63Å; R505-D553 IonicContact NE-OD2 3.05Å; R505-D553 PolarHBondContact NE-OD2 3.3Å; R505-D553 IonicContact NH2-OD1 2.65Å; R505-D553 PolarHBondContact NH2-OD1 2.65Å; R505-D553 IonicContact NH2-OD2 2.67Å; R505-D555 IonicContact NH2-OD2 2.82Å; R505-D555 PolarHBondContact NH2-OD2 2.87Å; R505-I558 HydrophobicContact CB-CD1 3.89Å |
| 506 | L | 72.9 | Confident | 69.5 | Low | 10 Ų | 10 | 61 Ų | 61 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.5 | -49.1 | -179.3 | 179.3 | 63.9 | 0 | 0 | 0 | 112.2 | Y502 D503 V509 R510 I561 | Y502-L506 HydrophobicContact CE1-CD2 4.11Å; Y502-L506 WeakPolarHBondContact O-CB 3.38Å; Y502-L506 PolarHBondContact O-N 3.47Å; D503-L506 PolarHBondContact O-N 3.45Å; L506-V509 PolarHBondContact O-N 3.48Å; L506-R510 PolarHBondContact O-N 2.96Å; L506-I561 HydrophobicContact CD1-CB 4.21Å; L506-I561 HydrophobicContact CD1-CD1 3.61Å; L506-I561 HydrophobicContact CD1-CG2 3.97Å |
| 507 | E | 69.8 | Low | 69.7 | Low | 78 Ų | 78 | 58.3 Ų | 58.3 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -72.8 | -30.1 | 179 | -78.2 | -52.8 | 151.5 | 0 | 0 | 113.1 | D503 V509 R510 C511 | D503-E507 PolarHBondContact O-N 2.96Å; E507-V509 VanDerWaalsContact C-N 3.32Å; E507-V509 PolarHBondContact O-N 3.13Å; E507-R510 PolarHBondContact O-N 3.44Å; E507-R510 VanDerWaalsContact OE1-CD 3.25Å; E507-R510 WeakPolarHBondContact OE1-CD 3.31Å; E507-R510 IonicContact OE1-CZ 3.39Å; E507-R510 IonicContact OE1-NE 2.6Å; E507-R510 IonicContact OE1-NH1 2.61Å; E507-R510 PolarHBondContact OE1-NH1 2.96Å; E507-R510 WeakPolarHBondContact OE2-CD 3.41Å; E507-C511 WeakPolarHBondContact O-CB 3.1Å; E507-C511 PolarHBondContact O-N 2.74Å |
| 508 | A | 71.2 | Confident | 69.7 | Low | 18 Ų | 18 | 61.7 Ų | 61.7 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | L497 V504 R505 L512 | L497-A508 HydrophobicContact CD2-CB 4.3Å; V504-A508 WeakPolarHBondContact O-CB 3.27Å; V504-A508 PolarHBondContact O-N 3.3Å; R505-A508 PolarHBondContact O-N 3.47Å; A508-L512 WeakPolarHBondContact O-CB 3.18Å; A508-L512 WeakPolarHBondContact O-CG 3.08Å; A508-L512 PolarHBondContact O-N 2.88Å |
| 509 | V | 71.1 | Confident | 69.5 | Low | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.7 | -50 | 176 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | L497 R505 L506 E507 C511 L512 C513 T562 L565 | L497-V509 HydrophobicContact CD2-CG2 3.83Å; R505-V509 WeakPolarHBondContact O-CG2 3.25Å; R505-V509 PolarHBondContact O-N 2.99Å; L506-V509 PolarHBondContact O-N 3.48Å; E507-V509 VanDerWaalsContact C-N 3.32Å; E507-V509 PolarHBondContact O-N 3.13Å; V509-C511 VanDerWaalsContact C-N 3.31Å; V509-C511 PolarHBondContact O-N 3.43Å; V509-L512 PolarHBondContact O-N 2.72Å; V509-C513 WeakPolarHBondContact O-CB 3.46Å; V509-C513 PolarHBondContact O-N 2.8Å; V509-C513 PolarHBondContact O-SG 3.29Å; V509-C513 VanDerWaalsContact O-SG 3.41Å; V509-T562 HydrophobicContact CG1-CG2 3.78Å; V509-L565 HydrophobicContact CG1-CD1 4.28Å |
| 510 | R | 69.5 | Low | 69.1 | Low | 26 Ų | 26 | 62.3 Ų | 62.3 | 10% | 0.098 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 178.9 | -76.4 | 172.9 | 175 | 167.8 | 3.2 | 112 | L506 E507 R514 L565 | L506-R510 PolarHBondContact O-N 2.96Å; E507-R510 PolarHBondContact O-N 3.44Å; E507-R510 VanDerWaalsContact OE1-CD 3.25Å; E507-R510 WeakPolarHBondContact OE1-CD 3.31Å; E507-R510 IonicContact OE1-CZ 3.39Å; E507-R510 IonicContact OE1-NE 2.6Å; E507-R510 IonicContact OE1-NH1 2.61Å; E507-R510 PolarHBondContact OE1-NH1 2.96Å; E507-R510 WeakPolarHBondContact OE2-CD 3.41Å; R510-R514 WeakPolarHBondContact O-CB 3.3Å; R510-R514 WeakPolarHBondContact O-CG 3.37Å; R510-R514 PolarHBondContact O-N 3.47Å; R510-L565 HydrophobicContact CG-CD1 3.95Å |
| 511 | C | 70 | Confident | 68.5 | Low | 64 Ų | 64 | 59.8 Ų | 59.8 | 43% | 0.432 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.3 | -51.4 | 179.7 | -171.7 | 0 | 0 | 0 | 0 | 111.1 | E507 V509 C513 R514 I515 | E507-C511 WeakPolarHBondContact O-CB 3.1Å; E507-C511 PolarHBondContact O-N 2.74Å; V509-C511 VanDerWaalsContact C-N 3.31Å; V509-C511 PolarHBondContact O-N 3.43Å; C511-C513 PolarHBondContact O-N 2.96Å; C511-R514 PolarHBondContact O-N 3.24Å; C511-I515 WeakPolarHBondContact O-CB 3.42Å; C511-I515 VanDerWaalsContact O-CG1 3.23Å; C511-I515 WeakPolarHBondContact O-CG1 3.21Å; C511-I515 PolarHBondContact O-N 3.3Å; C511-I515 VanDerWaalsContact SG-CD1 3.56Å |
| 512 | L | 71.1 | Confident | 68 | Low | 39 Ų | 39 | 57.1 Ų | 57.1 | 20% | 0.204 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 178.9 | -72.1 | 168.9 | 0 | 0 | 0 | 111.5 | L497 A508 V509 I515 L516 V542 I546 | L497-L512 HydrophobicContact CD1-CD1 4.03Å; L497-L512 HydrophobicContact CD2-CD1 4.13Å; L497-L512 HydrophobicContact CG-CD1 4.22Å; A508-L512 WeakPolarHBondContact O-CB 3.18Å; A508-L512 WeakPolarHBondContact O-CG 3.08Å; A508-L512 PolarHBondContact O-N 2.88Å; V509-L512 PolarHBondContact O-N 2.72Å; L512-I515 PolarHBondContact O-N 3.11Å; L512-L516 VanDerWaalsContact O-CB 3.32Å; L512-L516 WeakPolarHBondContact O-CB 3.23Å; L512-L516 WeakPolarHBondContact O-CD1 3.4Å; L512-L516 WeakPolarHBondContact O-CG 3.43Å; L512-L516 PolarHBondContact O-N 2.96Å; L512-V542 HydrophobicContact CD2-CG1 4.35Å; L512-I546 HydrophobicContact CB-CD1 3.94Å; L512-I546 HydrophobicContact CD1-CG1 4.43Å |
| 513 | C | 68.6 | Low | 66.9 | Low | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.9 | -48.4 | 176.4 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | V509 C511 I515 L516 V517 | V509-C513 WeakPolarHBondContact O-CB 3.46Å; V509-C513 PolarHBondContact O-N 2.8Å; V509-C513 PolarHBondContact O-SG 3.29Å; V509-C513 VanDerWaalsContact O-SG 3.41Å; C511-C513 PolarHBondContact O-N 2.96Å; C513-I515 PolarHBondContact O-N 2.71Å; C513-L516 PolarHBondContact O-N 3.49Å; C513-V517 WeakPolarHBondContact O-CG2 3.29Å; C513-V517 PolarHBondContact O-N 2.78Å |
| 514 | R | 68.2 | Low | 66 | Low | 172 Ų | 172 | 56.1 Ų | 56.1 | 65% | 0.649 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.1 | -40 | 179.6 | -77 | 179.5 | 177.5 | 166.7 | 1.8 | 113.1 | R510 C511 | R510-R514 WeakPolarHBondContact O-CB 3.3Å; R510-R514 WeakPolarHBondContact O-CG 3.37Å; R510-R514 PolarHBondContact O-N 3.47Å; C511-R514 PolarHBondContact O-N 3.24Å |
| 515 | I | 68.9 | Low | 64.9 | Low | 82 Ų | 82 | 58.3 Ų | 58.3 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62 | -50.3 | 175.9 | -71 | 172.8 | 0 | 0 | 0 | 109.1 | C511 L512 C513 V517 S518 F519 | C511-I515 WeakPolarHBondContact O-CB 3.42Å; C511-I515 VanDerWaalsContact O-CG1 3.23Å; C511-I515 WeakPolarHBondContact O-CG1 3.21Å; C511-I515 PolarHBondContact O-N 3.3Å; C511-I515 VanDerWaalsContact SG-CD1 3.56Å; L512-I515 PolarHBondContact O-N 3.11Å; C513-I515 PolarHBondContact O-N 2.71Å; I515-V517 PolarHBondContact O-N 3.42Å; I515-S518 PolarHBondContact O-N 2.88Å; I515-F519 HydrophobicContact CG2-CD2 3.72Å; I515-F519 HydrophobicContact CG2-CE2 3.44Å; I515-F519 VanDerWaalsContact CG2-CE2 3.44Å; I515-F519 WeakPolarHBondContact O-CD2 3.33Å; I515-F519 PolarHBondContact O-N 3.41Å |
| 516 | L | 67.1 | Low | 63.3 | Low | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.3 | -35.8 | -178.7 | -73 | 169.7 | 0 | 0 | 0 | 113 | L512 C513 S518 F519 V520 V539 V542 I543 I546 F572 | L512-L516 VanDerWaalsContact O-CB 3.32Å; L512-L516 WeakPolarHBondContact O-CB 3.23Å; L512-L516 WeakPolarHBondContact O-CD1 3.4Å; L512-L516 WeakPolarHBondContact O-CG 3.43Å; L512-L516 PolarHBondContact O-N 2.96Å; C513-L516 PolarHBondContact O-N 3.49Å; L516-S518 PolarHBondContact O-N 3.19Å; L516-F519 PolarHBondContact O-N 2.86Å; L516-F519 VanDerWaalsContact O-N 3.15Å; L516-V520 WeakPolarHBondContact O-CG2 3.39Å; L516-V520 PolarHBondContact O-N 3.48Å; L516-V539 HydrophobicContact CD2-CG2 4.14Å; L516-V542 HydrophobicContact CD1-CB 4.36Å; L516-V542 HydrophobicContact CD1-CG1 3.77Å; L516-I543 HydrophobicContact CD1-CG1 4.48Å; L516-I546 HydrophobicContact CD1-CD1 3.94Å; L516-F572 HydrophobicContact CB-CE1 3.69Å; L516-F572 HydrophobicContact CB-CZ 3.48Å; L516-F572 VanDerWaalsContact CB-CZ 3.48Å |
| 517 | V | 66.1 | Low | 61.8 | Low | 29 Ų | 29 | 70.7 Ų | 70.7 | 18% | 0.176 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 178.4 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | C513 I515 F519 V520 E521 F572 | C513-V517 WeakPolarHBondContact O-CG2 3.29Å; C513-V517 PolarHBondContact O-N 2.78Å; I515-V517 PolarHBondContact O-N 3.42Å; V517-F519 PolarHBondContact O-N 3.21Å; V517-V520 PolarHBondContact O-N 3.3Å; V517-E521 HydrophobicContact CG1-CG 4.4Å; V517-E521 WeakPolarHBondContact O-CG 3.35Å; V517-E521 PolarHBondContact O-N 2.73Å; V517-F572 HydrophobicContact CB-CZ 4.34Å; V517-F572 HydrophobicContact CG2-CD2 4.45Å; V517-F572 HydrophobicContact CG2-CE2 3.43Å; V517-F572 VanDerWaalsContact CG2-CE2 3.43Å; V517-F572 HydrophobicContact CG2-CZ 3.59Å |
| 518 | S | 63.3 | Low | 60.5 | Low | 84 Ų | 84 | 73.7 Ų | 73.7 | 59% | 0.587 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.1 | -31.1 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | I515 L516 | I515-S518 PolarHBondContact O-N 2.88Å; L516-S518 PolarHBondContact O-N 3.19Å |
| 519 | F | 61.4 | Low | 59.3 | Low | 91 Ų | 91 | 79.2 Ų | 79.2 | 40% | 0.399 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -75.7 | -41.1 | 175.5 | -77.3 | -65.9 | 0 | 0 | 0 | 112.6 | I515 L516 V517 S522 L523 | I515-F519 HydrophobicContact CG2-CD2 3.72Å; I515-F519 HydrophobicContact CG2-CE2 3.44Å; I515-F519 VanDerWaalsContact CG2-CE2 3.44Å; I515-F519 WeakPolarHBondContact O-CD2 3.33Å; I515-F519 PolarHBondContact O-N 3.41Å; L516-F519 PolarHBondContact O-N 2.86Å; L516-F519 VanDerWaalsContact O-N 3.15Å; V517-F519 PolarHBondContact O-N 3.21Å; F519-S522 PolarHBondContact O-N 3.29Å; F519-S522 PolarHBondContact O-OG 3.27Å; F519-L523 VanDerWaalsContact O-CD1 3.27Å; F519-L523 WeakPolarHBondContact O-CD1 3.17Å |
| 520 | V | 61.1 | Low | 58.3 | Low | 6 Ų | 6 | 85.5 Ų | 85.5 | 4% | 0.036 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -74.5 | -33.3 | -178.7 | -179.9 | 0 | 0 | 0 | 0 | 112.4 | L516 V517 S522 L523 V539 P571 F572 | L516-V520 WeakPolarHBondContact O-CG2 3.39Å; L516-V520 PolarHBondContact O-N 3.48Å; V517-V520 PolarHBondContact O-N 3.3Å; V520-S522 PolarHBondContact O-N 2.91Å; V520-L523 PolarHBondContact O-N 2.92Å; V520-V539 HydrophobicContact CG2-CG1 4Å; V520-V539 HydrophobicContact CG2-CG2 4.5Å; V520-P571 HydrophobicContact CB-CB 4.1Å; V520-P571 HydrophobicContact CG1-CB 3.53Å; V520-P571 WeakPolarHBondContact CG1-O 3.32Å; V520-F572 HydrophobicContact CB-CD1 4.39Å; V520-F572 HydrophobicContact CB-CE1 4.17Å; V520-F572 HydrophobicContact CG2-CD1 3.91Å; V520-F572 HydrophobicContact CG2-CE1 3.59Å |
| 521 | E | 59.2 | Low | 57.4 | Low | 130 Ų | 130 | 92.5 Ų | 92.5 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.4 | -28.5 | 171 | -75.9 | -177.5 | 167.6 | 0 | 0 | 112.5 | V517 L523 P571 | V517-E521 HydrophobicContact CG1-CG 4.4Å; V517-E521 WeakPolarHBondContact O-CG 3.35Å; V517-E521 PolarHBondContact O-N 2.73Å; E521-L523 VanDerWaalsContact C-N 3.26Å; E521-L523 PolarHBondContact O-N 3.47Å; E521-P571 HydrophobicContact CG-CG 3.88Å |
| 522 | S | 59 | Low | 56.9 | Low | 91 Ų | 91 | 92.5 Ų | 92.5 | 64% | 0.636 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -7.9 | 174.6 | 78.2 | 0 | 0 | 0 | 0 | 114.4 | F519 V520 | F519-S522 PolarHBondContact O-N 3.29Å; F519-S522 PolarHBondContact O-OG 3.27Å; V520-S522 PolarHBondContact O-N 2.91Å |
| 523 | L | 53 | Low | 56.3 | Low | 39 Ų | 39 | 99.1 Ų | 99.1 | 20% | 0.204 | 52% | 0.52 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 3.2 | -168.2 | -74.8 | 157.8 | 0 | 0 | 0 | 115.8 | F519 V520 E521 N532 L535 | F519-L523 VanDerWaalsContact O-CD1 3.27Å; F519-L523 WeakPolarHBondContact O-CD1 3.17Å; V520-L523 PolarHBondContact O-N 2.92Å; E521-L523 VanDerWaalsContact C-N 3.26Å; E521-L523 PolarHBondContact O-N 3.47Å; L523-N532 HydrophobicContact CD2-CB 4.43Å; L523-L535 HydrophobicContact CD1-CD2 3.64Å; L523-L535 HydrophobicContact CD2-CD2 4.21Å; L523-L535 HydrophobicContact CG-CD2 4.44Å |
| 524 | H | 50.6 | Low | 56.1 | Low | 123 Ų | 123 | 101.6 Ų | 101.6 | 57% | 0.569 | 55% | 0.546 | S | S | * | . | trans | -98 | 150.9 | 178 | -118 | 2.2 | 0 | 0 | 0 | 114.2 | C574 | H524-C574 PolarHBondContact NE2-SG 3.45Š| ||
| 525 | P | 46.3 | Very low | 55.6 | Low | 105 Ų | 105 | 94.8 Ų | 94.8 | 68% | 0.682 | 52% | 0.522 | S | S | * | . | S | Bend | -116.8 | 120 | -107.8 | 33.1 | -18.7 | 0 | 0 | 0 | 112.6 | |||
| 526 | A | 41.6 | Very low | 55.4 | Low | 98 Ų | 98 | 94 Ų | 94 | 81% | 0.81 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -144.8 | -12.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 527 | K | 41.5 | Very low | 55.5 | Low | 194 Ų | 194 | 100.6 Ų | 100.6 | 84% | 0.843 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -139.4 | -21.5 | -178 | -75.1 | -165.6 | 176 | 177.6 | 0 | 122.6 | ||
| 528 | D | 42 | Very low | 55.6 | Low | 140 Ų | 140 | 101.7 Ų | 101.7 | 75% | 0.749 | 55% | 0.547 | S | S | * | . | trans | -148.1 | 96 | -175.8 | -74.6 | -58.6 | 0 | 0 | 0 | 115.2 | ||||
| 529 | V | 46.9 | Very low | 55.9 | Low | 135 Ų | 135 | 98 Ų | 98 | 82% | 0.818 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -88.1 | -13.6 | -177.9 | 178.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 530 | V | 48.9 | Very low | 56.4 | Low | 132 Ų | 132 | 95.6 Ų | 95.6 | 80% | 0.8 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -92.1 | -16.5 | -166.2 | -173 | 0 | 0 | 0 | 0 | 114.4 | ||
| 531 | H | 51.3 | Low | 57 | Low | 173 Ų | 173 | 98.3 Ų | 98.3 | 80% | 0.801 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -101.7 | -2.1 | -174.2 | -82.8 | 35.9 | 0 | 0 | 0 | 116.2 | ||
| 532 | N | 58.4 | Low | 57.7 | Low | 63 Ų | 63 | 92.6 Ų | 92.6 | 34% | 0.337 | 50% | 0.499 | S | S | . | . | trans | -119.1 | 17.9 | -166.8 | -78.9 | -25.3 | 0 | 0 | 0 | 116.5 | L523 G534 L535 L536 | L523-N532 HydrophobicContact CD2-CB 4.43Å; N532-G534 VanDerWaalsContact C-N 3.35Å; N532-G534 PolarHBondContact O-N 3.22Å; N532-L535 PolarHBondContact O-N 3.43Å; N532-L535 VanDerWaalsContact O-N 3.15Å; N532-L536 WeakPolarHBondContact O-CG 3.34Å; N532-L536 PolarHBondContact O-N 2.86Å; N532-L536 VanDerWaalsContact O-N 3.08Å | ||
| 533 | Y | 60 | Low | 58.5 | Low | 179 Ų | 179 | 88.5 Ų | 88.5 | 70% | 0.702 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.9 | -40 | -179 | -171.6 | -96.7 | 0 | 0 | 0 | 113.5 | L535 L536 R537 | Y533-L535 VanDerWaalsContact C-N 3.28Å; Y533-L535 PolarHBondContact O-N 2.86Å; Y533-L536 PolarHBondContact O-N 3.24Å; Y533-R537 WeakPolarHBondContact O-CB 3.18Å; Y533-R537 PolarHBondContact O-N 3.48Å |
| 534 | G | 62.6 | Low | 59.7 | Low | 56 Ų | 56 | 89 Ų | 89 | 58% | 0.577 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.1 | -30.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N532 L538 | N532-G534 VanDerWaalsContact C-N 3.35Å; N532-G534 PolarHBondContact O-N 3.22Å; G534-L538 WeakPolarHBondContact O-CB 3.29Å; G534-L538 PolarHBondContact O-N 3.15Å; G534-L538 VanDerWaalsContact O-N 3.12Å |
| 535 | L | 58.2 | Low | 60.9 | Low | 29 Ų | 29 | 85 Ų | 85 | 15% | 0.152 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -78.4 | -42.6 | 179.7 | -149.5 | 97.9 | 0 | 0 | 0 | 111.7 | F485 L523 N532 Y533 R537 L538 V539 | F485-L535 HydrophobicContact CD1-CD1 4.11Å; F485-L535 HydrophobicContact CD2-CD1 3.48Å; F485-L535 VanDerWaalsContact CD2-CD1 3.48Å; F485-L535 HydrophobicContact CE1-CD1 3.83Å; F485-L535 HydrophobicContact CE2-CD1 3.17Å; F485-L535 HydrophobicContact CG-CD1 3.95Å; F485-L535 HydrophobicContact CZ-CD1 3.37Å; L523-L535 HydrophobicContact CD1-CD2 3.64Å; L523-L535 HydrophobicContact CD2-CD2 4.21Å; L523-L535 HydrophobicContact CG-CD2 4.44Å; N532-L535 PolarHBondContact O-N 3.43Å; N532-L535 VanDerWaalsContact O-N 3.15Å; Y533-L535 VanDerWaalsContact C-N 3.28Å; Y533-L535 PolarHBondContact O-N 2.86Å; L535-R537 VanDerWaalsContact C-N 3.26Å; L535-R537 PolarHBondContact O-N 2.72Å; L535-L538 PolarHBondContact O-N 3.46Å; L535-V539 WeakPolarHBondContact O-CG2 3.25Å; L535-V539 PolarHBondContact O-N 2.83Å |
| 536 | L | 64.9 | Low | 62.4 | Low | 65 Ų | 65 | 80.1 Ų | 80.1 | 34% | 0.34 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.6 | -37.1 | 174.1 | -68.2 | 164.2 | 0 | 0 | 0 | 111.2 | N532 Y533 H540 H575 | N532-L536 WeakPolarHBondContact O-CG 3.34Å; N532-L536 PolarHBondContact O-N 2.86Å; N532-L536 VanDerWaalsContact O-N 3.08Å; Y533-L536 PolarHBondContact O-N 3.24Å; L536-H540 WeakPolarHBondContact O-CB 3.19Å; L536-H540 PolarHBondContact O-N 2.9Å; L536-H575 VanDerWaalsContact CD2-CE1 3.45Å; L536-H575 WeakPolarHBondContact CD2-CE1 3.27Å |
| 537 | R | 69 | Low | 64.1 | Low | 151 Ų | 151 | 75.4 Ų | 75.4 | 57% | 0.57 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.2 | -43.4 | 173.9 | -170.5 | 175 | -177.4 | 168.5 | 3.4 | 112.2 | Y533 L535 V539 H540 D541 | Y533-R537 WeakPolarHBondContact O-CB 3.18Å; Y533-R537 PolarHBondContact O-N 3.48Å; L535-R537 VanDerWaalsContact C-N 3.26Å; L535-R537 PolarHBondContact O-N 2.72Å; R537-V539 PolarHBondContact O-N 3.17Å; R537-H540 WeakPolarHBondContact O-CB 3.41Å; R537-H540 PolarHBondContact O-N 3.45Å; R537-D541 PolarHBondContact O-N 3.31Å |
| 538 | L | 67.6 | Low | 65.9 | Low | 52 Ų | 52 | 69.1 Ų | 69.1 | 27% | 0.272 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 178.2 | -164.2 | 137.4 | 0 | 0 | 0 | 112.2 | P489 V490 G534 L535 H540 D541 V542 | P489-L538 HydrophobicContact CG-CD1 3.9Å; P489-L538 HydrophobicContact CG-CD2 4.14Å; V490-L538 HydrophobicContact CG2-CD1 4.14Å; V490-L538 HydrophobicContact CG2-CG 4.27Å; G534-L538 WeakPolarHBondContact O-CB 3.29Å; G534-L538 PolarHBondContact O-N 3.15Å; G534-L538 VanDerWaalsContact O-N 3.12Å; L535-L538 PolarHBondContact O-N 3.46Å; L538-H540 VanDerWaalsContact C-N 3.34Å; L538-D541 PolarHBondContact O-N 2.9Å; L538-V542 HydrophobicContact CD2-CG2 4.44Å; L538-V542 VanDerWaalsContact O-CG2 3.29Å; L538-V542 WeakPolarHBondContact O-CG2 3.15Å; L538-V542 PolarHBondContact O-N 2.88Å; L538-V542 VanDerWaalsContact O-N 3.1Å |
| 539 | V | 70.2 | Confident | 67.6 | Low | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.03 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 171.7 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | L516 V520 L535 R537 I543 | L516-V539 HydrophobicContact CD2-CG2 4.14Å; V520-V539 HydrophobicContact CG2-CG1 4Å; V520-V539 HydrophobicContact CG2-CG2 4.5Å; L535-V539 WeakPolarHBondContact O-CG2 3.25Å; L535-V539 PolarHBondContact O-N 2.83Å; R537-V539 PolarHBondContact O-N 3.17Å; V539-I543 HydrophobicContact CG1-CD1 3.69Å; V539-I543 HydrophobicContact CG1-CG1 4.42Å; V539-I543 WeakPolarHBondContact O-CB 3.41Å; V539-I543 VanDerWaalsContact O-CG1 3.23Å; V539-I543 WeakPolarHBondContact O-CG1 3.44Å; V539-I543 PolarHBondContact O-N 2.63Å |
| 540 | H | 72.5 | Confident | 68.9 | Low | 42 Ų | 42 | 56.9 Ų | 56.9 | 19% | 0.194 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 176.9 | 176.2 | 86.4 | 0 | 0 | 0 | 112.6 | L536 R537 L538 V542 I543 M544 D580 V581 | L536-H540 WeakPolarHBondContact O-CB 3.19Å; L536-H540 PolarHBondContact O-N 2.9Å; R537-H540 WeakPolarHBondContact O-CB 3.41Å; R537-H540 PolarHBondContact O-N 3.45Å; L538-H540 VanDerWaalsContact C-N 3.34Å; H540-V542 PolarHBondContact O-N 3.33Å; H540-I543 PolarHBondContact O-N 3.27Å; H540-M544 WeakPolarHBondContact O-CB 3.4Å; H540-M544 WeakPolarHBondContact O-CG 3.48Å; H540-M544 PolarHBondContact O-N 3.14Å; H540-D580 IonicContact CE1-OD1 3.69Å; H540-D580 IonicContact CE1-OD2 3.53Å; H540-D580 PolarHBondContact CE1-OD2 3.15Å; H540-D580 IonicContact NE2-OD2 3.35Å; H540-D580 PolarHBondContact NE2-OD2 3.48Å; H540-V581 VanDerWaalsContact CE1-CG2 3.43Å; H540-V581 WeakPolarHBondContact CE1-CG2 3.38Å |
| 541 | D | 72.9 | Confident | 70.3 | Confident | 63 Ų | 63 | 52.3 Ų | 52.3 | 34% | 0.337 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | -179.7 | -66.1 | -20 | 0 | 0 | 0 | 111.4 | R537 L538 M544 E545 | R537-D541 PolarHBondContact O-N 3.31Å; L538-D541 PolarHBondContact O-N 2.9Å; D541-M544 PolarHBondContact O-N 2.77Å; D541-E545 PolarHBondContact O-N 2.76Å |
| 542 | V | 73.8 | Confident | 71.8 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.7 | -38.4 | 178 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | L512 L516 L538 H540 M544 E545 I546 | L512-V542 HydrophobicContact CD2-CG1 4.35Å; L516-V542 HydrophobicContact CD1-CB 4.36Å; L516-V542 HydrophobicContact CD1-CG1 3.77Å; L538-V542 HydrophobicContact CD2-CG2 4.44Å; L538-V542 VanDerWaalsContact O-CG2 3.29Å; L538-V542 WeakPolarHBondContact O-CG2 3.15Å; L538-V542 PolarHBondContact O-N 2.88Å; L538-V542 VanDerWaalsContact O-N 3.1Å; H540-V542 PolarHBondContact O-N 3.33Å; V542-M544 VanDerWaalsContact C-N 3.29Å; V542-M544 PolarHBondContact O-N 3.46Å; V542-E545 PolarHBondContact O-N 2.65Å; V542-I546 HydrophobicContact CG1-CD1 3.96Å; V542-I546 HydrophobicContact CG1-CG1 4.4Å; V542-I546 VanDerWaalsContact O-CG1 3.29Å; V542-I546 WeakPolarHBondContact O-CG1 3.48Å; V542-I546 PolarHBondContact O-N 3.24Å |
| 543 | I | 77 | Confident | 72.9 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 173.6 | -73.9 | 173.1 | 0 | 0 | 0 | 110.6 | L516 V539 H540 I546 L547 F572 H575 L576 V581 | L516-I543 HydrophobicContact CD1-CG1 4.48Å; V539-I543 HydrophobicContact CG1-CD1 3.69Å; V539-I543 HydrophobicContact CG1-CG1 4.42Å; V539-I543 WeakPolarHBondContact O-CB 3.41Å; V539-I543 VanDerWaalsContact O-CG1 3.23Å; V539-I543 WeakPolarHBondContact O-CG1 3.44Å; V539-I543 PolarHBondContact O-N 2.63Å; H540-I543 PolarHBondContact O-N 3.27Å; I543-I546 PolarHBondContact O-N 3.28Å; I543-L547 HydrophobicContact CG2-CD1 3.76Å; I543-L547 HydrophobicContact CG2-CG 4.45Å; I543-L547 WeakPolarHBondContact O-CB 3.09Å; I543-L547 WeakPolarHBondContact O-CG 3.3Å; I543-L547 PolarHBondContact O-N 3.33Å; I543-F572 HydrophobicContact CD1-CD1 3.9Å; I543-F572 HydrophobicContact CD1-CE1 4.41Å; I543-F572 HydrophobicContact CD1-CG 4.5Å; I543-H575 HydrophobicContact CD1-CB 4.08Å; I543-L576 HydrophobicContact CG2-CD2 3.73Å; I543-V581 HydrophobicContact CG2-CG1 4.02Å |
| 544 | M | 77.9 | Confident | 73.8 | Confident | 49 Ų | 49 | 47.1 Ų | 47.1 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 174.8 | -77 | -67.1 | -71.6 | 0 | 0 | 112.2 | H540 D541 V542 L547 T548 V581 L584 | H540-M544 WeakPolarHBondContact O-CB 3.4Å; H540-M544 WeakPolarHBondContact O-CG 3.48Å; H540-M544 PolarHBondContact O-N 3.14Å; D541-M544 PolarHBondContact O-N 2.77Å; V542-M544 VanDerWaalsContact C-N 3.29Å; V542-M544 PolarHBondContact O-N 3.46Å; M544-L547 PolarHBondContact O-N 3.1Å; M544-T548 WeakPolarHBondContact O-CB 3.4Å; M544-T548 PolarHBondContact O-N 3.13Å; M544-T548 PolarHBondContact O-OG1 2.61Å; M544-V581 HydrophobicContact CG-CG2 4.29Å; M544-V581 HydrophobicContact SD-CB 4.2Å; M544-V581 HydrophobicContact SD-CG1 4.42Å; M544-V581 HydrophobicContact SD-CG2 3.77Å; M544-L584 HydrophobicContact CE-CD1 3.5Å; M544-L584 HydrophobicContact CE-CG 4.44Å; M544-L584 HydrophobicContact SD-CD1 3.67Å |
| 545 | E | 75.9 | Confident | 74.5 | Confident | 40 Ų | 40 | 47.9 Ų | 47.9 | 19% | 0.187 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 174.3 | -77.7 | -175.6 | 173.8 | 0 | 0 | 111.8 | S493 N494 L497 D541 V542 L547 T548 V549 | S493-E545 WeakPolarHBondContact CB-OE2 3.41Å; S493-E545 PolarHBondContact OG-OE2 3.4Å; N494-E545 PolarHBondContact ND2-OE1 2.94Å; N494-E545 PolarHBondContact OD1-OE1 3.33Å; L497-E545 HydrophobicContact CD1-CB 4.27Å; D541-E545 PolarHBondContact O-N 2.76Å; V542-E545 PolarHBondContact O-N 2.65Å; E545-L547 PolarHBondContact O-N 2.98Å; E545-T548 WeakPolarHBondContact O-CB 3.37Å; E545-T548 PolarHBondContact O-N 3.33Å; E545-V549 WeakPolarHBondContact O-CG2 3.42Å; E545-V549 PolarHBondContact O-N 3.1Å |
| 546 | I | 78.3 | Confident | 75.5 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 177.5 | -68.6 | 168.1 | 0 | 0 | 0 | 110.9 | L512 L516 V542 I543 T548 V549 A550 T562 | L512-I546 HydrophobicContact CB-CD1 3.94Å; L512-I546 HydrophobicContact CD1-CG1 4.43Å; L516-I546 HydrophobicContact CD1-CD1 3.94Å; V542-I546 HydrophobicContact CG1-CD1 3.96Å; V542-I546 HydrophobicContact CG1-CG1 4.4Å; V542-I546 VanDerWaalsContact O-CG1 3.29Å; V542-I546 WeakPolarHBondContact O-CG1 3.48Å; V542-I546 PolarHBondContact O-N 3.24Å; I543-I546 PolarHBondContact O-N 3.28Å; I546-T548 VanDerWaalsContact C-N 3.34Å; I546-V549 PolarHBondContact O-N 3.43Å; I546-A550 WeakPolarHBondContact O-CB 3.44Å; I546-A550 PolarHBondContact O-N 3.42Å; I546-T562 HydrophobicContact CG2-CG2 3.46Å; I546-T562 VanDerWaalsContact CG2-CG2 3.46Å |
| 547 | L | 76.1 | Confident | 76 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.9 | -32.8 | 178.5 | -80.3 | 167.1 | 0 | 0 | 0 | 112.7 | I543 M544 E545 A550 V551 F563 L566 L576 V581 L584 V585 | I543-L547 HydrophobicContact CG2-CD1 3.76Å; I543-L547 HydrophobicContact CG2-CG 4.45Å; I543-L547 WeakPolarHBondContact O-CB 3.09Å; I543-L547 WeakPolarHBondContact O-CG 3.3Å; I543-L547 PolarHBondContact O-N 3.33Å; M544-L547 PolarHBondContact O-N 3.1Å; E545-L547 PolarHBondContact O-N 2.98Å; L547-A550 WeakPolarHBondContact O-CB 3.35Å; L547-A550 PolarHBondContact O-N 2.98Å; L547-V551 WeakPolarHBondContact O-CG2 3.43Å; L547-V551 PolarHBondContact O-N 3.38Å; L547-V551 VanDerWaalsContact O-N 3.1Å; L547-F563 HydrophobicContact CD2-CE1 4.1Å; L547-L566 HydrophobicContact CD2-CD1 3.61Å; L547-L566 HydrophobicContact CG-CD1 4.29Å; L547-L576 HydrophobicContact CD1-CD2 3.73Å; L547-V581 HydrophobicContact CD1-CG1 3.17Å; L547-L584 HydrophobicContact CB-CB 4.37Å; L547-L584 HydrophobicContact CB-CD1 4.24Å; L547-V585 HydrophobicContact CD1-CG2 4.06Å; L547-V585 HydrophobicContact CD2-CG2 3.8Å |
| 548 | T | 79.8 | Confident | 76.4 | Confident | 61 Ų | 61 | 44.9 Ų | 44.9 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.5 | -49.9 | 172.7 | -56.6 | 0 | 0 | 0 | 0 | 109.3 | M544 E545 I546 A550 V551 T552 | M544-T548 WeakPolarHBondContact O-CB 3.4Å; M544-T548 PolarHBondContact O-N 3.13Å; M544-T548 PolarHBondContact O-OG1 2.61Å; E545-T548 WeakPolarHBondContact O-CB 3.37Å; E545-T548 PolarHBondContact O-N 3.33Å; I546-T548 VanDerWaalsContact C-N 3.34Å; T548-A550 VanDerWaalsContact C-N 3.31Å; T548-A550 PolarHBondContact O-N 3.33Å; T548-V551 PolarHBondContact O-N 2.74Å; T548-V551 VanDerWaalsContact O-N 3.13Å; T548-T552 HydrophobicContact CG2-CG2 4.26Å; T548-T552 WeakPolarHBondContact O-CB 3.36Å; T548-T552 WeakPolarHBondContact O-CG2 3.47Å; T548-T552 PolarHBondContact O-N 3.18Å; T548-T552 PolarHBondContact O-OG1 3.39Å |
| 549 | V | 76.6 | Confident | 77.1 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 11% | 0.109 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.9 | -42.1 | 174.6 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | L497 E545 I546 V551 T552 D553 I558 | L497-V549 HydrophobicContact CB-CG2 3.98Å; L497-V549 HydrophobicContact CD1-CG2 4.38Å; L497-V549 HydrophobicContact CD2-CG2 4.28Å; L497-V549 HydrophobicContact CG-CG2 4.44Å; E545-V549 WeakPolarHBondContact O-CG2 3.42Å; E545-V549 PolarHBondContact O-N 3.1Å; I546-V549 PolarHBondContact O-N 3.43Å; V549-V551 PolarHBondContact O-N 3.19Å; V549-V551 VanDerWaalsContact O-N 3.12Å; V549-T552 PolarHBondContact O-N 2.98Å; V549-D553 HydrophobicContact CG1-CB 4.24Å; V549-D553 VanDerWaalsContact O-CB 3.26Å; V549-D553 WeakPolarHBondContact O-CB 3.22Å; V549-D553 PolarHBondContact O-N 3.49Å; V549-I558 HydrophobicContact CG1-CG2 4.48Å |
| 550 | A | 74.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -24.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I546 L547 T548 R559 T562 F563 | I546-A550 WeakPolarHBondContact O-CB 3.44Å; I546-A550 PolarHBondContact O-N 3.42Å; L547-A550 WeakPolarHBondContact O-CB 3.35Å; L547-A550 PolarHBondContact O-N 2.98Å; T548-A550 VanDerWaalsContact C-N 3.31Å; T548-A550 PolarHBondContact O-N 3.33Å; A550-R559 VanDerWaalsContact O-CB 3.27Å; A550-R559 WeakPolarHBondContact O-CB 3.47Å; A550-R559 WeakPolarHBondContact O-CD 3.36Å; A550-R559 WeakPolarHBondContact O-CG 3.48Å; A550-T562 HydrophobicContact CB-CG2 3.66Å; A550-F563 HydrophobicContact CB-CD2 4.3Å; A550-F563 HydrophobicContact CB-CE2 3.87Å; A550-F563 HydrophobicContact CB-CZ 4.06Å; A550-F563 WeakPolarHBondContact O-CE2 3.39Å |
| 551 | V | 79.4 | Confident | 77.7 | Confident | 36 Ų | 36 | 44.1 Ų | 44.1 | 22% | 0.218 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -100.4 | -36.4 | 178.2 | 178 | 0 | 0 | 0 | 0 | 111.9 | L547 T548 V549 F563 L584 M587 | L547-V551 WeakPolarHBondContact O-CG2 3.43Å; L547-V551 PolarHBondContact O-N 3.38Å; L547-V551 VanDerWaalsContact O-N 3.1Å; T548-V551 PolarHBondContact O-N 2.74Å; T548-V551 VanDerWaalsContact O-N 3.13Å; V549-V551 PolarHBondContact O-N 3.19Å; V549-V551 VanDerWaalsContact O-N 3.12Å; V551-F563 HydrophobicContact CG2-CZ 4.24Å; V551-L584 WeakPolarHBondContact CG2-O 3.12Å; V551-M587 HydrophobicContact CG1-CB 3.93Å; V551-M587 HydrophobicContact CG1-SD 4.39Å; V551-M587 HydrophobicContact CG2-CB 4.45Å |
| 552 | T | 81.8 | Confident | 77.9 | Confident | 93 Ų | 93 | 41.1 Ų | 41.1 | 57% | 0.571 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -97.9 | -14.8 | -170.3 | 63.8 | 0 | 0 | 0 | 0 | 115.5 | T548 V549 | T548-T552 HydrophobicContact CG2-CG2 4.26Å; T548-T552 WeakPolarHBondContact O-CB 3.36Å; T548-T552 WeakPolarHBondContact O-CG2 3.47Å; T548-T552 PolarHBondContact O-N 3.18Å; T548-T552 PolarHBondContact O-OG1 3.39Å; V549-T552 PolarHBondContact O-N 2.98Å |
| 553 | D | 82.2 | Confident | 78.3 | Confident | 17 Ų | 17 | 40.7 Ų | 40.7 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | trans | -63.1 | 138.5 | -177.9 | -160.8 | -59.7 | 0 | 0 | 0 | 111.2 | R505 V549 D555 R559 | R505-D553 IonicContact CZ-OD1 3.83Å; R505-D553 IonicContact CZ-OD2 2.72Å; R505-D553 IonicContact NE-OD1 3.63Å; R505-D553 IonicContact NE-OD2 3.05Å; R505-D553 PolarHBondContact NE-OD2 3.3Å; R505-D553 IonicContact NH2-OD1 2.65Å; R505-D553 PolarHBondContact NH2-OD1 2.65Å; R505-D553 IonicContact NH2-OD2 2.67Å; V549-D553 HydrophobicContact CG1-CB 4.24Å; V549-D553 VanDerWaalsContact O-CB 3.26Å; V549-D553 WeakPolarHBondContact O-CB 3.22Å; V549-D553 PolarHBondContact O-N 3.49Å; D553-D555 VanDerWaalsContact C-N 3.27Å; D553-D555 PolarHBondContact O-N 3.43Å; D553-D555 PolarHBondContact OD1-N 2.85Å; D553-R559 HydrophobicContact CB-CG 4.11Å; D553-R559 WeakPolarHBondContact O-CD 3.44Å; D553-R559 PolarHBondContact O-NH1 3.21Å | ||
| 554 | F | 78.5 | Confident | 78.4 | Confident | 197 Ų | 197 | 42.2 Ų | 42.2 | 86% | 0.864 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -68.5 | -27.2 | 179.3 | -68.7 | -79.6 | 0 | 0 | 0 | 112.4 | ||
| 555 | D | 78.2 | Confident | 78.2 | Confident | 71 Ų | 71 | 41.3 Ų | 41.3 | 38% | 0.38 | 21% | 0.206 | S | C | . | . | trans | -89.4 | 110 | -177 | -74.5 | -52.9 | 0 | 0 | 0 | 112 | Y502 R505 D553 R557 I558 R559 | Y502-D555 HydrophobicContact CD2-CB 4.49Å; R505-D555 IonicContact NH2-OD2 2.82Å; R505-D555 PolarHBondContact NH2-OD2 2.87Å; D553-D555 VanDerWaalsContact C-N 3.27Å; D553-D555 PolarHBondContact O-N 3.43Å; D553-D555 PolarHBondContact OD1-N 2.85Å; D555-R557 PolarHBondContact O-N 3.38Å; D555-I558 HydrophobicContact CB-CD1 4.21Å; D555-I558 HydrophobicContact CB-CG1 4.27Å; D555-I558 PolarHBondContact O-N 3.3Å; D555-I558 VanDerWaalsContact O-N 3.09Å; D555-R559 PolarHBondContact O-N 2.92Å | ||
| 556 | D | 79.5 | Confident | 78.2 | Confident | 56 Ų | 56 | 39.5 Ų | 39.5 | 30% | 0.299 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -56 | -28.1 | -177.9 | -57.6 | -12.2 | 0 | 0 | 0 | 113.8 | R559 Q560 | D556-R559 IonicContact OD1-CZ 2.8Å; D556-R559 IonicContact OD1-NH1 2.73Å; D556-R559 PolarHBondContact OD1-NH1 3.03Å; D556-R559 IonicContact OD1-NH2 3.22Å; D556-R559 PolarHBondContact OD1-NH2 3Å; D556-Q560 WeakPolarHBondContact O-CB 3.36Å; D556-Q560 PolarHBondContact O-N 3.03Å |
| 557 | R | 75.4 | Confident | 77.9 | Confident | 126 Ų | 126 | 40.2 Ų | 40.2 | 48% | 0.475 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -71.3 | -38.3 | -179.9 | -67.2 | -178 | -174.4 | -168.3 | -1 | 112.4 | Y502 D555 Q560 I561 | Y502-R557 HydrophobicContact CE2-CB 4.35Å; D555-R557 PolarHBondContact O-N 3.38Å; R557-Q560 PolarHBondContact O-N 3.45Å; R557-I561 WeakPolarHBondContact O-CB 3.37Å; R557-I561 VanDerWaalsContact O-CG1 3.29Å; R557-I561 WeakPolarHBondContact O-CG1 3.45Å; R557-I561 PolarHBondContact O-N 3.28Å |
| 558 | I | 76.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.5 | -46.4 | 177.2 | -63.4 | 179.3 | 0 | 0 | 0 | 108.7 | Y502 R505 V549 D555 Q560 I561 T562 | Y502-I558 HydrophobicContact CD2-CD1 3.71Å; Y502-I558 HydrophobicContact CD2-CG1 3.87Å; Y502-I558 HydrophobicContact CE2-CD1 4.12Å; Y502-I558 HydrophobicContact CE2-CG1 3.72Å; R505-I558 HydrophobicContact CB-CD1 3.89Å; V549-I558 HydrophobicContact CG1-CG2 4.48Å; D555-I558 HydrophobicContact CB-CD1 4.21Å; D555-I558 HydrophobicContact CB-CG1 4.27Å; D555-I558 PolarHBondContact O-N 3.3Å; D555-I558 VanDerWaalsContact O-N 3.09Å; I558-Q560 PolarHBondContact O-N 2.79Å; I558-I561 PolarHBondContact O-N 3.39Å; I558-T562 WeakPolarHBondContact O-CB 3.36Å; I558-T562 PolarHBondContact O-N 3.27Å; I558-T562 PolarHBondContact O-OG1 3.41Å |
| 559 | R | 82.6 | Confident | 77 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 6% | 0.064 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.3 | -49.8 | 175 | -59.4 | -158.7 | -53 | -79.5 | -2.3 | 111.4 | A550 D553 D555 D556 T562 F563 D591 I596 | A550-R559 VanDerWaalsContact O-CB 3.27Å; A550-R559 WeakPolarHBondContact O-CB 3.47Å; A550-R559 WeakPolarHBondContact O-CD 3.36Å; A550-R559 WeakPolarHBondContact O-CG 3.48Å; D553-R559 HydrophobicContact CB-CG 4.11Å; D553-R559 WeakPolarHBondContact O-CD 3.44Å; D553-R559 PolarHBondContact O-NH1 3.21Å; D555-R559 PolarHBondContact O-N 2.92Å; D556-R559 IonicContact OD1-CZ 2.8Å; D556-R559 IonicContact OD1-NH1 2.73Å; D556-R559 PolarHBondContact OD1-NH1 3.03Å; D556-R559 IonicContact OD1-NH2 3.22Å; D556-R559 PolarHBondContact OD1-NH2 3Å; R559-T562 PolarHBondContact O-N 3.18Å; R559-F563 VanDerWaalsContact O-CD2 3.29Å; R559-F563 WeakPolarHBondContact O-CD2 3.48Å; R559-F563 PolarHBondContact O-N 2.95Å; R559-D591 IonicContact CZ-OD1 3.39Å; R559-D591 IonicContact CZ-OD2 3.58Å; R559-D591 IonicContact NE-OD2 3.69Å; R559-D591 PolarHBondContact NE-OD2 2.86Å; R559-D591 IonicContact NH2-OD1 3.77Å; R559-D591 PolarHBondContact NH2-OD1 3.15Å; R559-D591 IonicContact NH2-OD2 3.04Å; R559-D591 PolarHBondContact NH2-OD2 3.3Å; R559-I596 HydrophobicContact CB-CD1 3.6Å |
| 560 | Q | 79.5 | Confident | 76.5 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 13% | 0.126 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.8 | -50.5 | 178.1 | -173.8 | -172.5 | 8.4 | 0 | 0 | 113.3 | D556 R557 I558 T562 F563 N564 E595 I596 | D556-Q560 WeakPolarHBondContact O-CB 3.36Å; D556-Q560 PolarHBondContact O-N 3.03Å; R557-Q560 PolarHBondContact O-N 3.45Å; I558-Q560 PolarHBondContact O-N 2.79Å; Q560-T562 VanDerWaalsContact C-N 3.29Å; Q560-T562 PolarHBondContact O-N 3.43Å; Q560-F563 PolarHBondContact O-N 2.97Å; Q560-N564 WeakPolarHBondContact O-CB 3.4Å; Q560-N564 PolarHBondContact O-N 2.9Å; Q560-E595 HydrophobicContact CG-CB 4.35Å; Q560-I596 HydrophobicContact CB-CD1 4.35Å; Q560-I596 HydrophobicContact CB-CG1 3.88Å; Q560-I596 HydrophobicContact CG-CG1 4.42Å |
| 561 | I | 75.8 | Confident | 76.1 | Confident | 39 Ų | 39 | 47.8 Ų | 47.8 | 20% | 0.2 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.8 | -38.7 | -178.6 | -67.8 | 167.7 | 0 | 0 | 0 | 110.4 | L506 R557 I558 N564 L565 | L506-I561 HydrophobicContact CD1-CB 4.21Å; L506-I561 HydrophobicContact CD1-CD1 3.61Å; L506-I561 HydrophobicContact CD1-CG2 3.97Å; R557-I561 WeakPolarHBondContact O-CB 3.37Å; R557-I561 VanDerWaalsContact O-CG1 3.29Å; R557-I561 WeakPolarHBondContact O-CG1 3.45Å; R557-I561 PolarHBondContact O-N 3.28Å; I558-I561 PolarHBondContact O-N 3.39Å; I561-N564 PolarHBondContact O-N 3.23Å; I561-L565 HydrophobicContact CG2-CD1 3.82Å; I561-L565 HydrophobicContact CG2-CG 4.23Å; I561-L565 WeakPolarHBondContact O-CB 3.47Å; I561-L565 VanDerWaalsContact O-CG 3.25Å; I561-L565 WeakPolarHBondContact O-CG 3.46Å; I561-L565 PolarHBondContact O-N 3.13Å |
| 562 | T | 76.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.6 | -48.6 | 177.5 | -49.9 | 0 | 0 | 0 | 0 | 111 | V509 I546 A550 I558 R559 Q560 L565 L566 | V509-T562 HydrophobicContact CG1-CG2 3.78Å; I546-T562 HydrophobicContact CG2-CG2 3.46Å; I546-T562 VanDerWaalsContact CG2-CG2 3.46Å; A550-T562 HydrophobicContact CB-CG2 3.66Å; I558-T562 WeakPolarHBondContact O-CB 3.36Å; I558-T562 PolarHBondContact O-N 3.27Å; I558-T562 PolarHBondContact O-OG1 3.41Å; R559-T562 PolarHBondContact O-N 3.18Å; Q560-T562 VanDerWaalsContact C-N 3.29Å; Q560-T562 PolarHBondContact O-N 3.43Å; T562-L565 PolarHBondContact O-N 3.31Å; T562-L566 WeakPolarHBondContact O-CG 3.49Å; T562-L566 PolarHBondContact O-N 3.38Å; T562-L566 VanDerWaalsContact O-N 3.11Å |
| 563 | F | 82 | Confident | 75.2 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -39.4 | 176.3 | -80.3 | -67.3 | 0 | 0 | 0 | 113 | L547 A550 V551 R559 Q560 L565 L566 V567 I596 A599 V600 L603 | L547-F563 HydrophobicContact CD2-CE1 4.1Å; A550-F563 HydrophobicContact CB-CD2 4.3Å; A550-F563 HydrophobicContact CB-CE2 3.87Å; A550-F563 HydrophobicContact CB-CZ 4.06Å; A550-F563 WeakPolarHBondContact O-CE2 3.39Å; V551-F563 HydrophobicContact CG2-CZ 4.24Å; R559-F563 VanDerWaalsContact O-CD2 3.29Å; R559-F563 WeakPolarHBondContact O-CD2 3.48Å; R559-F563 PolarHBondContact O-N 2.95Å; Q560-F563 PolarHBondContact O-N 2.97Å; F563-L565 PolarHBondContact O-N 2.95Å; F563-L566 HydrophobicContact CD1-CD1 4.42Å; F563-L566 PolarHBondContact O-N 3.44Å; F563-V567 WeakPolarHBondContact O-CG2 3.47Å; F563-V567 PolarHBondContact O-N 3.25Å; F563-I596 HydrophobicContact CD2-CG2 3.69Å; F563-I596 HydrophobicContact CE2-CG2 3.92Å; F563-A599 HydrophobicContact CB-CB 3.99Å; F563-V600 HydrophobicContact CD1-CG2 3.65Å; F563-V600 HydrophobicContact CD2-CG2 4.16Å; F563-V600 HydrophobicContact CE1-CG2 3.62Å; F563-V600 HydrophobicContact CE2-CG2 4.12Å; F563-V600 HydrophobicContact CG-CG2 3.94Å; F563-V600 HydrophobicContact CZ-CG2 3.86Å; F563-L603 HydrophobicContact CD1-CD2 4.47Å |
| 564 | N | 79.6 | Confident | 74.6 | Confident | 37 Ų | 37 | 43.7 Ų | 43.7 | 20% | 0.198 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.7 | -74.3 | -9.8 | 0 | 0 | 0 | 112.2 | Q560 I561 L566 V567 E568 A599 | Q560-N564 WeakPolarHBondContact O-CB 3.4Å; Q560-N564 PolarHBondContact O-N 2.9Å; I561-N564 PolarHBondContact O-N 3.23Å; N564-L566 VanDerWaalsContact C-N 3.29Å; N564-L566 PolarHBondContact O-N 3.47Å; N564-V567 WeakPolarHBondContact O-CB 3.48Å; N564-V567 PolarHBondContact O-N 3.32Å; N564-E568 WeakPolarHBondContact O-CG 3.32Å; N564-E568 PolarHBondContact O-N 3.28Å; N564-A599 WeakPolarHBondContact OD1-CB 3.14Å |
| 565 | L | 73.6 | Confident | 74.3 | Confident | 30 Ų | 30 | 35.9 Ų | 35.9 | 16% | 0.157 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -36.2 | 176.3 | -72.1 | 168.7 | 0 | 0 | 0 | 112 | V509 R510 I561 T562 F563 S569 | V509-L565 HydrophobicContact CG1-CD1 4.28Å; R510-L565 HydrophobicContact CG-CD1 3.95Å; I561-L565 HydrophobicContact CG2-CD1 3.82Å; I561-L565 HydrophobicContact CG2-CG 4.23Å; I561-L565 WeakPolarHBondContact O-CB 3.47Å; I561-L565 VanDerWaalsContact O-CG 3.25Å; I561-L565 WeakPolarHBondContact O-CG 3.46Å; I561-L565 PolarHBondContact O-N 3.13Å; T562-L565 PolarHBondContact O-N 3.31Å; F563-L565 PolarHBondContact O-N 2.95Å; L565-S569 WeakPolarHBondContact O-CB 3.37Å; L565-S569 PolarHBondContact O-OG 3.13Å |
| 566 | L | 76 | Confident | 74.1 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.2 | -36.9 | 174.4 | -68.1 | 170.7 | 0 | 0 | 0 | 112 | L547 T562 F563 N564 S569 F572 L576 L603 | L547-L566 HydrophobicContact CD2-CD1 3.61Å; L547-L566 HydrophobicContact CG-CD1 4.29Å; T562-L566 WeakPolarHBondContact O-CG 3.49Å; T562-L566 PolarHBondContact O-N 3.38Å; T562-L566 VanDerWaalsContact O-N 3.11Å; F563-L566 HydrophobicContact CD1-CD1 4.42Å; F563-L566 PolarHBondContact O-N 3.44Å; N564-L566 VanDerWaalsContact C-N 3.29Å; N564-L566 PolarHBondContact O-N 3.47Å; L566-S569 PolarHBondContact O-N 3.46Å; L566-F572 HydrophobicContact CD2-CD2 4.48Å; L566-L576 HydrophobicContact CD2-CD1 4.46Å; L566-L603 HydrophobicContact CB-CD1 4.48Å; L566-L603 HydrophobicContact CB-CD2 4.33Å |
| 567 | V | 71.5 | Confident | 73.8 | Confident | 17 Ų | 17 | 30 Ų | 30 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.8 | -38.6 | 175.2 | 169.7 | 0 | 0 | 0 | 0 | 112.3 | F563 N564 S569 A599 I602 L603 | F563-V567 WeakPolarHBondContact O-CG2 3.47Å; F563-V567 PolarHBondContact O-N 3.25Å; N564-V567 WeakPolarHBondContact O-CB 3.48Å; N564-V567 PolarHBondContact O-N 3.32Å; V567-S569 PolarHBondContact O-N 3.12Å; V567-A599 HydrophobicContact CG2-CB 4.49Å; V567-A599 VanDerWaalsContact CG2-O 3.3Å; V567-A599 WeakPolarHBondContact CG2-O 3.33Å; V567-I602 HydrophobicContact CG1-CB 4.49Å; V567-I602 HydrophobicContact CG1-CG2 3.66Å; V567-I602 HydrophobicContact CG2-CG2 4.45Å; V567-L603 HydrophobicContact CG2-CB 3.89Å; V567-L603 HydrophobicContact CG2-CD1 4.17Å |
| 568 | E | 69.6 | Low | 74 | Confident | 52 Ų | 52 | 29 Ų | 29 | 24% | 0.243 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.4 | -23.3 | -179.3 | -74.1 | -178.3 | -171 | 0 | 0 | 113 | S256 K258 N564 | S256-E568 WeakPolarHBondContact CB-OE2 3.12Å; S256-E568 PolarHBondContact OG-OE2 3.47Å; K258-E568 HydrophobicContact CB-CG 4.49Å; K258-E568 HydrophobicContact CD-CG 4.34Å; K258-E568 PolarHBondContact NZ-O 3.39Å; N564-E568 WeakPolarHBondContact O-CG 3.32Å; N564-E568 PolarHBondContact O-N 3.28Å |
| 569 | S | 67.9 | Low | 74 | Confident | 17 Ų | 17 | 30.6 Ų | 30.6 | 12% | 0.119 | 16% | 0.161 | C | C | . | . | trans | -102.8 | 80 | -166.1 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | L565 L566 V567 P571 F572 | L565-S569 WeakPolarHBondContact O-CB 3.37Å; L565-S569 PolarHBondContact O-OG 3.13Å; L566-S569 PolarHBondContact O-N 3.46Å; V567-S569 PolarHBondContact O-N 3.12Å; S569-P571 VanDerWaalsContact C-N 3.33Å; S569-P571 WeakPolarHBondContact O-CD 3.48Å; S569-P571 VanDerWaalsContact O-N 3.15Å; S569-F572 PolarHBondContact O-N 3.2Å | ||
| 570 | E | 65.7 | Low | 73.8 | Confident | 139 Ų | 139 | 33.4 Ų | 33.4 | 65% | 0.65 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | -48.3 | -38.1 | 178.5 | -80.1 | -162.9 | 167.5 | 0 | 0 | 116.4 | F572 H573 | E570-F572 PolarHBondContact O-N 2.95Å; E570-F572 VanDerWaalsContact O-N 3.14Å; E570-H573 WeakPolarHBondContact O-CB 3.13Å; E570-H573 VanDerWaalsContact O-CG 3.28Å; E570-H573 PolarHBondContact O-N 3Å; E570-H573 VanDerWaalsContact O-N 3.09Å |
| 571 | P | 66.1 | Low | 73.6 | Confident | 29 Ų | 29 | 32.1 Ų | 32.1 | 19% | 0.188 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -61.7 | -25.6 | -176.6 | -22.2 | 32.4 | 0 | 0 | 0 | 113.8 | V520 E521 S569 H573 | V520-P571 HydrophobicContact CB-CB 4.1Å; V520-P571 HydrophobicContact CG1-CB 3.53Å; V520-P571 WeakPolarHBondContact CG1-O 3.32Å; E521-P571 HydrophobicContact CG-CG 3.88Å; S569-P571 VanDerWaalsContact C-N 3.33Å; S569-P571 WeakPolarHBondContact O-CD 3.48Å; S569-P571 VanDerWaalsContact O-N 3.15Å; P571-H573 VanDerWaalsContact C-N 3.32Å; P571-H573 PolarHBondContact O-N 3.43Å |
| 572 | F | 71.1 | Confident | 73.7 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -76.5 | -16.5 | 179 | -62.5 | -47.9 | 0 | 0 | 0 | 113.8 | L516 V517 V520 I543 L566 S569 E570 C574 H575 L576 | L516-F572 HydrophobicContact CB-CE1 3.69Å; L516-F572 HydrophobicContact CB-CZ 3.48Å; L516-F572 VanDerWaalsContact CB-CZ 3.48Å; V517-F572 HydrophobicContact CB-CZ 4.34Å; V517-F572 HydrophobicContact CG2-CD2 4.45Å; V517-F572 HydrophobicContact CG2-CE2 3.43Å; V517-F572 VanDerWaalsContact CG2-CE2 3.43Å; V517-F572 HydrophobicContact CG2-CZ 3.59Å; V520-F572 HydrophobicContact CB-CD1 4.39Å; V520-F572 HydrophobicContact CB-CE1 4.17Å; V520-F572 HydrophobicContact CG2-CD1 3.91Å; V520-F572 HydrophobicContact CG2-CE1 3.59Å; I543-F572 HydrophobicContact CD1-CD1 3.9Å; I543-F572 HydrophobicContact CD1-CE1 4.41Å; I543-F572 HydrophobicContact CD1-CG 4.5Å; L566-F572 HydrophobicContact CD2-CD2 4.48Å; S569-F572 PolarHBondContact O-N 3.2Å; E570-F572 PolarHBondContact O-N 2.95Å; E570-F572 VanDerWaalsContact O-N 3.14Å; F572-C574 PolarHBondContact O-N 3.34Å; F572-C574 VanDerWaalsContact O-N 3.13Å; F572-H575 PolarHBondContact O-N 2.86Å; F572-L576 HydrophobicContact CB-CD1 3.89Å; F572-L576 HydrophobicContact CB-CG 4.21Å; F572-L576 WeakPolarHBondContact O-CG 3.46Å; F572-L576 PolarHBondContact O-N 3.35Å |
| 573 | H | 71.7 | Confident | 74 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 6% | 0.06 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58 | -33.5 | -173.6 | -64.2 | 171.9 | 0 | 0 | 0 | 112.7 | E570 P571 H575 A577 M607 I610 | E570-H573 WeakPolarHBondContact O-CB 3.13Å; E570-H573 VanDerWaalsContact O-CG 3.28Å; E570-H573 PolarHBondContact O-N 3Å; E570-H573 VanDerWaalsContact O-N 3.09Å; P571-H573 VanDerWaalsContact C-N 3.32Å; P571-H573 PolarHBondContact O-N 3.43Å; H573-H575 VanDerWaalsContact C-N 3.34Å; H573-H575 PolarHBondContact O-N 3.45Å; H573-A577 VanDerWaalsContact O-CB 3.26Å; H573-A577 WeakPolarHBondContact O-CB 3.23Å; H573-A577 PolarHBondContact O-N 3.37Å; H573-A577 VanDerWaalsContact O-N 3.12Å; H573-M607 HydrophobicContact CB-CG 4.37Å; H573-I610 HydrophobicContact CB-CD1 3.63Å |
| 574 | C | 70.1 | Confident | 73.9 | Confident | 45 Ų | 45 | 38.1 Ų | 38.1 | 30% | 0.304 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.2 | -31.4 | 175.9 | -65.4 | 0 | 0 | 0 | 0 | 113.6 | H524 F572 | H524-C574 PolarHBondContact NE2-SG 3.45Å; F572-C574 PolarHBondContact O-N 3.34Å; F572-C574 VanDerWaalsContact O-N 3.13Å |
| 575 | H | 70.9 | Confident | 74 | Confident | 33 Ų | 33 | 36.4 Ų | 36.4 | 15% | 0.153 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -85.9 | -38.5 | 178.6 | -75.1 | -78.5 | 0 | 0 | 0 | 112.3 | L536 I543 F572 H573 A577 Q578 | L536-H575 VanDerWaalsContact CD2-CE1 3.45Å; L536-H575 WeakPolarHBondContact CD2-CE1 3.27Å; I543-H575 HydrophobicContact CD1-CB 4.08Å; F572-H575 PolarHBondContact O-N 2.86Å; H573-H575 VanDerWaalsContact C-N 3.34Å; H573-H575 PolarHBondContact O-N 3.45Å; H575-A577 PolarHBondContact O-N 3.43Å; H575-Q578 WeakPolarHBondContact O-CB 3.29Å; H575-Q578 VanDerWaalsContact O-CG 3.32Å; H575-Q578 WeakPolarHBondContact O-CG 3.42Å; H575-Q578 PolarHBondContact O-N 3.44Å |
| 576 | L | 74.2 | Confident | 74.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.9 | -26.5 | 175.5 | -66.5 | 169.3 | 0 | 0 | 0 | 112.2 | I543 L547 L566 F572 Q578 V581 L582 L603 M607 | I543-L576 HydrophobicContact CG2-CD2 3.73Å; L547-L576 HydrophobicContact CD1-CD2 3.73Å; L566-L576 HydrophobicContact CD2-CD1 4.46Å; F572-L576 HydrophobicContact CB-CD1 3.89Å; F572-L576 HydrophobicContact CB-CG 4.21Å; F572-L576 WeakPolarHBondContact O-CG 3.46Å; F572-L576 PolarHBondContact O-N 3.35Å; L576-Q578 PolarHBondContact O-N 2.99Å; L576-V581 HydrophobicContact CD2-CG1 3.88Å; L576-L582 WeakPolarHBondContact O-CD1 3.3Å; L576-L603 HydrophobicContact CD1-CD1 4.02Å; L576-L603 HydrophobicContact CD1-CD2 4.36Å; L576-M607 HydrophobicContact CB-SD 3.4Å; L576-M607 WeakPolarHBondContact CB-SD 3.38Å |
| 577 | A | 74 | Confident | 74.8 | Confident | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -3.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | H573 H575 M607 I610 N611 | H573-A577 VanDerWaalsContact O-CB 3.26Å; H573-A577 WeakPolarHBondContact O-CB 3.23Å; H573-A577 PolarHBondContact O-N 3.37Å; H573-A577 VanDerWaalsContact O-N 3.12Å; H575-A577 PolarHBondContact O-N 3.43Å; A577-M607 HydrophobicContact CB-SD 4.48Å; A577-I610 HydrophobicContact CB-CB 4.28Å; A577-I610 HydrophobicContact CB-CG2 3.83Å; A577-N611 HydrophobicContact CB-CB 4.02Å; A577-N611 PolarHBondContact O-ND2 3.4Å |
| 578 | Q | 79 | Confident | 75.2 | Confident | 104 Ų | 104 | 41.3 Ų | 41.3 | 49% | 0.486 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -70 | 144.9 | 174 | -61.5 | -63.3 | -47.8 | 0 | 0 | 111 | H575 L576 D580 V581 L582 | H575-Q578 WeakPolarHBondContact O-CB 3.29Å; H575-Q578 VanDerWaalsContact O-CG 3.32Å; H575-Q578 WeakPolarHBondContact O-CG 3.42Å; H575-Q578 PolarHBondContact O-N 3.44Å; L576-Q578 PolarHBondContact O-N 2.99Å; Q578-D580 WeakPolarHBondContact CB-OD1 3.37Å; Q578-D580 PolarHBondContact O-N 3.43Å; Q578-V581 HydrophobicContact CB-CG2 4.19Å; Q578-V581 PolarHBondContact O-N 3.4Å; Q578-L582 WeakPolarHBondContact O-CB 3.43Å; Q578-L582 PolarHBondContact O-N 2.94Å |
| 579 | A | 76.7 | Confident | 75.7 | Confident | 34 Ų | 34 | 39.4 Ų | 39.4 | 28% | 0.281 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.3 | -34.7 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q583 Y614 | A579-Q583 WeakPolarHBondContact O-CG 3.5Å; A579-Q583 PolarHBondContact O-N 3.18Å; A579-Y614 HydrophobicContact CB-CE1 4.37Å; A579-Y614 HydrophobicContact CB-CE2 4.26Å |
| 580 | D | 77.5 | Confident | 76.4 | Confident | 76 Ų | 76 | 44.1 Ų | 44.1 | 41% | 0.406 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.2 | -45 | 175.5 | 43.4 | 1.7 | 0 | 0 | 0 | 112.5 | H540 Q578 Q583 | H540-D580 IonicContact CE1-OD1 3.69Å; H540-D580 IonicContact CE1-OD2 3.53Å; H540-D580 PolarHBondContact CE1-OD2 3.15Å; H540-D580 IonicContact NE2-OD2 3.35Å; H540-D580 PolarHBondContact NE2-OD2 3.48Å; Q578-D580 WeakPolarHBondContact CB-OD1 3.37Å; Q578-D580 PolarHBondContact O-N 3.43Å; D580-Q583 PolarHBondContact O-N 2.93Å |
| 581 | V | 75 | Confident | 77.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | 177.1 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | H540 I543 M544 L547 L576 Q578 Q583 L584 V585 | H540-V581 VanDerWaalsContact CE1-CG2 3.43Å; H540-V581 WeakPolarHBondContact CE1-CG2 3.38Å; I543-V581 HydrophobicContact CG2-CG1 4.02Å; M544-V581 HydrophobicContact CG-CG2 4.29Å; M544-V581 HydrophobicContact SD-CB 4.2Å; M544-V581 HydrophobicContact SD-CG1 4.42Å; M544-V581 HydrophobicContact SD-CG2 3.77Å; L547-V581 HydrophobicContact CD1-CG1 3.17Å; L576-V581 HydrophobicContact CD2-CG1 3.88Å; Q578-V581 HydrophobicContact CB-CG2 4.19Å; Q578-V581 PolarHBondContact O-N 3.4Å; V581-Q583 VanDerWaalsContact C-N 3.26Å; V581-Q583 PolarHBondContact O-N 3.44Å; V581-L584 PolarHBondContact O-N 2.84Å; V581-L584 VanDerWaalsContact O-N 3.16Å; V581-V585 PolarHBondContact O-N 3.48Å |
| 582 | L | 79.6 | Confident | 78 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.6 | -31.3 | -178.6 | -150.1 | 103.3 | 0 | 0 | 0 | 112.1 | L576 Q578 L584 V585 V586 L604 M607 V615 | L576-L582 WeakPolarHBondContact O-CD1 3.3Å; Q578-L582 WeakPolarHBondContact O-CB 3.43Å; Q578-L582 PolarHBondContact O-N 2.94Å; L582-L584 VanDerWaalsContact C-N 3.33Å; L582-L584 PolarHBondContact O-N 3.21Å; L582-V585 PolarHBondContact O-N 3.01Å; L582-V586 WeakPolarHBondContact O-CB 3.3Å; L582-V586 VanDerWaalsContact O-CG2 3.23Å; L582-V586 WeakPolarHBondContact O-CG2 3.44Å; L582-V586 PolarHBondContact O-N 2.96Å; L582-L604 HydrophobicContact CG-CD2 4.41Å; L582-M607 HydrophobicContact CD1-CE 3.72Å; L582-M607 HydrophobicContact CD1-SD 4.06Å; L582-V615 HydrophobicContact CD1-CG2 3.82Å; L582-V615 HydrophobicContact CD2-CG2 3.77Å; L582-V615 HydrophobicContact CG-CG2 4.42Å |
| 583 | Q | 81.3 | Confident | 78.4 | Confident | 130 Ų | 130 | 50.9 Ų | 50.9 | 61% | 0.607 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.9 | -40.2 | 175.7 | -78.9 | -177.6 | 3.1 | 0 | 0 | 112.3 | A579 D580 V581 V586 M587 | A579-Q583 WeakPolarHBondContact O-CG 3.5Å; A579-Q583 PolarHBondContact O-N 3.18Å; D580-Q583 PolarHBondContact O-N 2.93Å; V581-Q583 VanDerWaalsContact C-N 3.26Å; V581-Q583 PolarHBondContact O-N 3.44Å; Q583-V586 PolarHBondContact O-N 3.43Å; Q583-M587 PolarHBondContact O-N 2.99Å |
| 584 | L | 79.8 | Confident | 78.9 | Confident | 31 Ų | 31 | 51.2 Ų | 51.2 | 16% | 0.162 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.2 | -41.6 | 175.8 | -67.1 | 177.2 | 0 | 0 | 0 | 111.4 | M544 L547 V551 V581 L582 V586 M587 | M544-L584 HydrophobicContact CE-CD1 3.5Å; M544-L584 HydrophobicContact CE-CG 4.44Å; M544-L584 HydrophobicContact SD-CD1 3.67Å; L547-L584 HydrophobicContact CB-CB 4.37Å; L547-L584 HydrophobicContact CB-CD1 4.24Å; V551-L584 WeakPolarHBondContact CG2-O 3.12Å; V581-L584 PolarHBondContact O-N 2.84Å; V581-L584 VanDerWaalsContact O-N 3.16Å; L582-L584 VanDerWaalsContact C-N 3.33Å; L582-L584 PolarHBondContact O-N 3.21Å; L584-V586 VanDerWaalsContact C-N 3.3Å; L584-V586 PolarHBondContact O-N 3.34Å; L584-M587 HydrophobicContact CD2-SD 4.31Å; L584-M587 WeakPolarHBondContact O-CB 3.47Å; L584-M587 PolarHBondContact O-N 3.46Å; L584-M587 VanDerWaalsContact O-N 3.15Å |
| 585 | V | 81.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -41.3 | 175.7 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | L547 V581 L582 M587 G588 V600 L603 L604 M607 | L547-V585 HydrophobicContact CD1-CG2 4.06Å; L547-V585 HydrophobicContact CD2-CG2 3.8Å; V581-V585 PolarHBondContact O-N 3.48Å; L582-V585 PolarHBondContact O-N 3.01Å; V585-M587 VanDerWaalsContact C-N 3.25Å; V585-M587 PolarHBondContact O-N 3.31Å; V585-G588 PolarHBondContact O-N 2.97Å; V585-G588 VanDerWaalsContact O-N 3.08Å; V585-V600 HydrophobicContact CG1-CG1 4.1Å; V585-V600 VanDerWaalsContact O-CG1 3.31Å; V585-V600 WeakPolarHBondContact O-CG1 3.39Å; V585-L603 HydrophobicContact CG1-CD2 3.97Å; V585-L603 HydrophobicContact CG2-CD2 4.46Å; V585-L604 HydrophobicContact CG1-CD2 4.18Å; V585-L604 HydrophobicContact CG1-CG 4.27Å; V585-M607 HydrophobicContact CG1-CE 4.32Å |
| 586 | V | 83.3 | Confident | 79.9 | Confident | 32 Ų | 32 | 49.6 Ų | 49.6 | 19% | 0.194 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.8 | -26.5 | 178.8 | 167.6 | 0 | 0 | 0 | 0 | 112.6 | L582 Q583 L584 G588 L589 L604 T618 | L582-V586 WeakPolarHBondContact O-CB 3.3Å; L582-V586 VanDerWaalsContact O-CG2 3.23Å; L582-V586 WeakPolarHBondContact O-CG2 3.44Å; L582-V586 PolarHBondContact O-N 2.96Å; Q583-V586 PolarHBondContact O-N 3.43Å; L584-V586 VanDerWaalsContact C-N 3.3Å; L584-V586 PolarHBondContact O-N 3.34Å; V586-G588 PolarHBondContact O-N 2.69Å; V586-L589 HydrophobicContact CG1-CD1 4.15Å; V586-L589 WeakPolarHBondContact O-CB 3.42Å; V586-L589 PolarHBondContact O-N 3.22Å; V586-L604 HydrophobicContact CG2-CD2 4.28Å; V586-T618 HydrophobicContact CG1-CG2 3.99Å; V586-T618 HydrophobicContact CG2-CG2 3.91Å |
| 587 | M | 83.3 | Confident | 80.5 | Confident | 118 Ų | 118 | 52.6 Ų | 52.6 | 58% | 0.581 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64 | -30.9 | 173.6 | -66.2 | -177.4 | 174.9 | 0 | 0 | 112.2 | V551 Q583 L584 V585 L589 Q590 | V551-M587 HydrophobicContact CG1-CB 3.93Å; V551-M587 HydrophobicContact CG1-SD 4.39Å; V551-M587 HydrophobicContact CG2-CB 4.45Å; Q583-M587 PolarHBondContact O-N 2.99Å; L584-M587 HydrophobicContact CD2-SD 4.31Å; L584-M587 WeakPolarHBondContact O-CB 3.47Å; L584-M587 PolarHBondContact O-N 3.46Å; L584-M587 VanDerWaalsContact O-N 3.15Å; V585-M587 VanDerWaalsContact C-N 3.25Å; V585-M587 PolarHBondContact O-N 3.31Å; M587-L589 PolarHBondContact O-N 2.9Å; M587-Q590 PolarHBondContact O-N 2.73Å |
| 588 | G | 79.7 | Confident | 80.9 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -66.2 | -16.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V585 V586 Q590 D591 | V585-G588 PolarHBondContact O-N 2.97Å; V585-G588 VanDerWaalsContact O-N 3.08Å; V586-G588 PolarHBondContact O-N 2.69Å; G588-Q590 PolarHBondContact O-N 3.15Å; G588-D591 PolarHBondContact O-N 3.13Å |
| 589 | L | 81 | Confident | 81.1 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -63.6 | -24.4 | 178 | -78.4 | 166.3 | 0 | 0 | 0 | 113.6 | V586 M587 R597 V600 V601 L604 T618 V622 | V586-L589 HydrophobicContact CG1-CD1 4.15Å; V586-L589 WeakPolarHBondContact O-CB 3.42Å; V586-L589 PolarHBondContact O-N 3.22Å; M587-L589 PolarHBondContact O-N 2.9Å; L589-R597 WeakPolarHBondContact O-CD 3.43Å; L589-R597 WeakPolarHBondContact O-CG 3.41Å; L589-V600 HydrophobicContact CD2-CG1 3.98Å; L589-V600 HydrophobicContact CG-CG1 3.81Å; L589-V601 HydrophobicContact CD2-CG2 3.64Å; L589-L604 HydrophobicContact CD1-CD1 3.69Å; L589-L604 HydrophobicContact CD2-CD1 3.91Å; L589-L604 HydrophobicContact CG-CD1 3.91Å; L589-T618 HydrophobicContact CD1-CG2 3.81Å; L589-V622 HydrophobicContact CD1-CG2 3.9Å; L589-V622 HydrophobicContact CD2-CG2 4.02Å |
| 590 | Q | 82.5 | Confident | 81.5 | Confident | 116 Ų | 116 | 46.2 Ų | 46.2 | 54% | 0.542 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -109.9 | 21.6 | -177.9 | -64.7 | -69.5 | -20.5 | 0 | 0 | 112.3 | M587 G588 | M587-Q590 PolarHBondContact O-N 2.73Å; G588-Q590 PolarHBondContact O-N 3.15Å |
| 591 | D | 85.1 | Confident | 81.9 | Confident | 18 Ų | 18 | 42.6 Ų | 42.6 | 10% | 0.096 | 19% | 0.189 | C | C | . | . | trans | -60.2 | 155.1 | 178.8 | -162.8 | -69.8 | 0 | 0 | 0 | 111.6 | R559 G588 R593 I596 R597 | R559-D591 IonicContact CZ-OD1 3.39Å; R559-D591 IonicContact CZ-OD2 3.58Å; R559-D591 IonicContact NE-OD2 3.69Å; R559-D591 PolarHBondContact NE-OD2 2.86Å; R559-D591 IonicContact NH2-OD1 3.77Å; R559-D591 PolarHBondContact NH2-OD1 3.15Å; R559-D591 IonicContact NH2-OD2 3.04Å; R559-D591 PolarHBondContact NH2-OD2 3.3Å; G588-D591 PolarHBondContact O-N 3.13Å; D591-R593 PolarHBondContact O-N 2.92Å; D591-R593 PolarHBondContact OD1-N 3.46Å; D591-I596 HydrophobicContact CB-CB 4.09Å; D591-I596 HydrophobicContact CB-CG2 3.86Å; D591-R597 PolarHBondContact O-NE 3.31Å; D591-R597 PolarHBondContact O-NH2 2.86Å | ||
| 592 | R | 80.5 | Confident | 82.2 | Confident | 225 Ų | 225 | 43.6 Ų | 43.6 | 85% | 0.849 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -63.5 | -32.9 | 175.6 | -175.7 | 179.7 | -179.9 | -178.1 | -0.5 | 111.9 | ||
| 593 | R | 79.6 | Confident | 82.4 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 26% | 0.257 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -95 | 127.1 | -174.1 | -172.2 | 163.6 | -172.8 | -163.6 | 1.6 | 111.2 | D591 E595 I596 R597 | D591-R593 PolarHBondContact O-N 2.92Å; D591-R593 PolarHBondContact OD1-N 3.46Å; R593-E595 WeakPolarHBondContact CD-OE2 3.44Å; R593-E595 WeakPolarHBondContact CG-OE2 3.35Å; R593-E595 IonicContact CZ-OE2 2.84Å; R593-E595 IonicContact NE-OE2 2.95Å; R593-E595 PolarHBondContact NE-OE2 3.43Å; R593-E595 IonicContact NH2-OE2 3.19Å; R593-E595 PolarHBondContact O-N 3.47Å; R593-I596 HydrophobicContact CB-CD1 4.01Å; R593-I596 HydrophobicContact CB-CG1 4.25Å; R593-I596 PolarHBondContact O-N 2.96Å; R593-R597 PolarHBondContact O-N 3.36Å |
| 594 | Y | 81.9 | Confident | 82.6 | Confident | 20 Ų | 20 | 37.1 Ų | 37.1 | 8% | 0.078 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | -175 | 175.7 | -94.8 | 0 | 0 | 0 | 112.6 | I596 R597 E598 Q641 R644 L645 | Y594-I596 PolarHBondContact O-N 2.86Å; Y594-I596 VanDerWaalsContact O-N 3.16Å; Y594-R597 WeakPolarHBondContact O-CB 3.43Å; Y594-R597 PolarHBondContact O-N 3.1Å; Y594-E598 HydrophobicContact CE1-CB 4.34Å; Y594-E598 WeakPolarHBondContact CE1-OE2 3.38Å; Y594-E598 PolarHBondContact O-N 3.4Å; Y594-Q641 HydrophobicContact CD2-CB 3.75Å; Y594-Q641 HydrophobicContact CD2-CG 3.71Å; Y594-Q641 HydrophobicContact CE2-CB 3.53Å; Y594-Q641 HydrophobicContact CE2-CG 3.89Å; Y594-Q641 VanDerWaalsContact CE2-O 3.24Å; Y594-Q641 WeakPolarHBondContact CE2-O 3.35Å; Y594-Q641 HydrophobicContact CG-CG 4.19Å; Y594-Q641 PolarHBondContact OH-O 3.24Å; Y594-R644 HydrophobicContact CE1-CB 4.47Å; Y594-R644 WeakPolarHBondContact OH-CB 3.46Å; Y594-L645 HydrophobicContact CD2-CD1 4.24Å; Y594-L645 HydrophobicContact CE2-CB 4.29Å; Y594-L645 HydrophobicContact CE2-CD1 3.52Å; Y594-L645 WeakPolarHBondContact OH-CA 3.3Å; Y594-L645 PolarHBondContact OH-N 2.68Å |
| 595 | E | 79.5 | Confident | 82.7 | Confident | 44 Ų | 44 | 35.8 Ų | 35.8 | 21% | 0.206 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.6 | -27.6 | -176.9 | -60.6 | 76.1 | -159.5 | 0 | 0 | 112.5 | L262 Q560 R593 A599 | L262-E595 HydrophobicContact CD1-CG 4.06Å; L262-E595 HydrophobicContact CD2-CG 4.35Å; Q560-E595 HydrophobicContact CG-CB 4.35Å; R593-E595 WeakPolarHBondContact CD-OE2 3.44Å; R593-E595 WeakPolarHBondContact CG-OE2 3.35Å; R593-E595 IonicContact CZ-OE2 2.84Å; R593-E595 IonicContact NE-OE2 2.95Å; R593-E595 PolarHBondContact NE-OE2 3.43Å; R593-E595 IonicContact NH2-OE2 3.19Å; R593-E595 PolarHBondContact O-N 3.47Å; E595-A599 PolarHBondContact O-N 3.37Å; E595-A599 VanDerWaalsContact O-N 3.07Å |
| 596 | I | 82.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72.4 | -44.1 | 174.9 | -62.4 | 176.7 | 0 | 0 | 0 | 110 | R559 Q560 F563 D591 R593 Y594 E598 A599 V600 | R559-I596 HydrophobicContact CB-CD1 3.6Å; Q560-I596 HydrophobicContact CB-CD1 4.35Å; Q560-I596 HydrophobicContact CB-CG1 3.88Å; Q560-I596 HydrophobicContact CG-CG1 4.42Å; F563-I596 HydrophobicContact CD2-CG2 3.69Å; F563-I596 HydrophobicContact CE2-CG2 3.92Å; D591-I596 HydrophobicContact CB-CB 4.09Å; D591-I596 HydrophobicContact CB-CG2 3.86Å; R593-I596 HydrophobicContact CB-CD1 4.01Å; R593-I596 HydrophobicContact CB-CG1 4.25Å; R593-I596 PolarHBondContact O-N 2.96Å; Y594-I596 PolarHBondContact O-N 2.86Å; Y594-I596 VanDerWaalsContact O-N 3.16Å; I596-E598 PolarHBondContact O-N 3.33Å; I596-A599 PolarHBondContact O-N 3.37Å; I596-V600 HydrophobicContact CG2-CG2 4.22Å; I596-V600 WeakPolarHBondContact O-CB 3.46Å; I596-V600 WeakPolarHBondContact O-CG2 3.47Å; I596-V600 PolarHBondContact O-N 3.45Å |
| 597 | R | 85.8 | Confident | 82.5 | Confident | 64 Ų | 64 | 37 Ų | 37 | 24% | 0.242 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.2 | -42.8 | 175.3 | -56.7 | -175.4 | -176.4 | -174 | -4.3 | 110.7 | L589 D591 R593 Y594 V600 V601 L645 | L589-R597 WeakPolarHBondContact O-CD 3.43Å; L589-R597 WeakPolarHBondContact O-CG 3.41Å; D591-R597 PolarHBondContact O-NE 3.31Å; D591-R597 PolarHBondContact O-NH2 2.86Å; R593-R597 PolarHBondContact O-N 3.36Å; Y594-R597 WeakPolarHBondContact O-CB 3.43Å; Y594-R597 PolarHBondContact O-N 3.1Å; R597-V600 PolarHBondContact O-N 2.67Å; R597-V601 VanDerWaalsContact O-CG2 3.28Å; R597-V601 WeakPolarHBondContact O-CG2 3.4Å; R597-V601 PolarHBondContact O-N 3.35Å; R597-L645 HydrophobicContact CB-CD1 3.91Å |
| 598 | E | 83.1 | Confident | 82.4 | Confident | 7 Ų | 7 | 32 Ų | 32 | 3% | 0.033 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.8 | -51.7 | 176.9 | -165.3 | 179.9 | 175.1 | 0 | 0 | 111.5 | Y594 I596 V600 V601 I602 Q648 | Y594-E598 HydrophobicContact CE1-CB 4.34Å; Y594-E598 WeakPolarHBondContact CE1-OE2 3.38Å; Y594-E598 PolarHBondContact O-N 3.4Å; I596-E598 PolarHBondContact O-N 3.33Å; E598-V600 VanDerWaalsContact C-N 3.33Å; E598-V600 PolarHBondContact O-N 3.27Å; E598-V601 PolarHBondContact O-N 2.93Å; E598-I602 HydrophobicContact CG-CD1 4.39Å; E598-I602 WeakPolarHBondContact O-CG1 3.49Å; E598-I602 PolarHBondContact O-N 3.49Å; E598-Q648 HydrophobicContact CG-CB 4.33Å; E598-Q648 HydrophobicContact CG-CG 3.72Å; E598-Q648 WeakPolarHBondContact OE1-CG 3.41Å; E598-Q648 PolarHBondContact OE1-NE2 3.28Å |
| 599 | A | 82.2 | Confident | 82.2 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.7 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F563 N564 V567 E595 I596 I602 L603 | F563-A599 HydrophobicContact CB-CB 3.99Å; N564-A599 WeakPolarHBondContact OD1-CB 3.14Å; V567-A599 HydrophobicContact CG2-CB 4.49Å; V567-A599 VanDerWaalsContact CG2-O 3.3Å; V567-A599 WeakPolarHBondContact CG2-O 3.33Å; E595-A599 PolarHBondContact O-N 3.37Å; E595-A599 VanDerWaalsContact O-N 3.07Å; I596-A599 PolarHBondContact O-N 3.37Å; A599-I602 PolarHBondContact O-N 2.84Å; A599-L603 WeakPolarHBondContact O-CB 3.38Å; A599-L603 PolarHBondContact O-N 2.99Å |
| 600 | V | 85.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.3 | -39.6 | 177.8 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | F563 V585 L589 I596 R597 E598 L603 L604 | F563-V600 HydrophobicContact CD1-CG2 3.65Å; F563-V600 HydrophobicContact CD2-CG2 4.16Å; F563-V600 HydrophobicContact CE1-CG2 3.62Å; F563-V600 HydrophobicContact CE2-CG2 4.12Å; F563-V600 HydrophobicContact CG-CG2 3.94Å; F563-V600 HydrophobicContact CZ-CG2 3.86Å; V585-V600 HydrophobicContact CG1-CG1 4.1Å; V585-V600 VanDerWaalsContact O-CG1 3.31Å; V585-V600 WeakPolarHBondContact O-CG1 3.39Å; L589-V600 HydrophobicContact CD2-CG1 3.98Å; L589-V600 HydrophobicContact CG-CG1 3.81Å; I596-V600 HydrophobicContact CG2-CG2 4.22Å; I596-V600 WeakPolarHBondContact O-CB 3.46Å; I596-V600 WeakPolarHBondContact O-CG2 3.47Å; I596-V600 PolarHBondContact O-N 3.45Å; R597-V600 PolarHBondContact O-N 2.67Å; E598-V600 VanDerWaalsContact C-N 3.33Å; E598-V600 PolarHBondContact O-N 3.27Å; V600-L603 PolarHBondContact O-N 3.36Å; V600-L604 HydrophobicContact CG1-CD1 4.02Å; V600-L604 HydrophobicContact CG1-CG 4.47Å; V600-L604 WeakPolarHBondContact O-CB 3.28Å; V600-L604 WeakPolarHBondContact O-CG 3.37Å; V600-L604 PolarHBondContact O-N 3.08Å |
| 601 | V | 86 | Confident | 82.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 174.9 | 167.3 | 0 | 0 | 0 | 0 | 111.1 | L589 R597 E598 L603 L604 G605 L645 L649 | L589-V601 HydrophobicContact CD2-CG2 3.64Å; R597-V601 VanDerWaalsContact O-CG2 3.28Å; R597-V601 WeakPolarHBondContact O-CG2 3.4Å; R597-V601 PolarHBondContact O-N 3.35Å; E598-V601 PolarHBondContact O-N 2.93Å; V601-L603 VanDerWaalsContact C-N 3.32Å; V601-L603 PolarHBondContact O-N 3.37Å; V601-L604 PolarHBondContact O-N 3.09Å; V601-G605 PolarHBondContact O-N 3.27Å; V601-L645 HydrophobicContact CG2-CD2 3.83Å; V601-L645 HydrophobicContact CG2-CG 4.2Å; V601-L649 HydrophobicContact CG1-CB 3.9Å; V601-L649 HydrophobicContact CG1-CD1 3.88Å |
| 602 | I | 82.7 | Confident | 82 | Confident | 20 Ų | 20 | 38.6 Ų | 38.6 | 10% | 0.103 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 176.2 | -65.4 | 165.2 | 0 | 0 | 0 | 110.3 | V567 E598 A599 G605 N606 Q648 | V567-I602 HydrophobicContact CG1-CB 4.49Å; V567-I602 HydrophobicContact CG1-CG2 3.66Å; V567-I602 HydrophobicContact CG2-CG2 4.45Å; E598-I602 HydrophobicContact CG-CD1 4.39Å; E598-I602 WeakPolarHBondContact O-CG1 3.49Å; E598-I602 PolarHBondContact O-N 3.49Å; A599-I602 PolarHBondContact O-N 2.84Å; I602-G605 PolarHBondContact O-N 3.45Å; I602-N606 PolarHBondContact O-N 3.05Å; I602-Q648 HydrophobicContact CD1-CB 4.42Å; I602-Q648 HydrophobicContact CD1-CG 4.46Å; I602-Q648 HydrophobicContact CG1-CB 4.06Å |
| 603 | L | 83.7 | Confident | 82 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.5 | -47.7 | 178.5 | -169.3 | 65.3 | 0 | 0 | 0 | 111.9 | F563 L566 V567 L576 V585 A599 V600 V601 G605 N606 M607 | F563-L603 HydrophobicContact CD1-CD2 4.47Å; L566-L603 HydrophobicContact CB-CD1 4.48Å; L566-L603 HydrophobicContact CB-CD2 4.33Å; V567-L603 HydrophobicContact CG2-CB 3.89Å; V567-L603 HydrophobicContact CG2-CD1 4.17Å; L576-L603 HydrophobicContact CD1-CD1 4.02Å; L576-L603 HydrophobicContact CD1-CD2 4.36Å; V585-L603 HydrophobicContact CG1-CD2 3.97Å; V585-L603 HydrophobicContact CG2-CD2 4.46Å; A599-L603 WeakPolarHBondContact O-CB 3.38Å; A599-L603 PolarHBondContact O-N 2.99Å; V600-L603 PolarHBondContact O-N 3.36Å; V601-L603 VanDerWaalsContact C-N 3.32Å; V601-L603 PolarHBondContact O-N 3.37Å; L603-G605 VanDerWaalsContact C-N 3.29Å; L603-G605 PolarHBondContact O-N 3.4Å; L603-N606 PolarHBondContact O-N 3.4Å; L603-M607 HydrophobicContact CG-CE 4.05Å; L603-M607 WeakPolarHBondContact O-CG 3.41Å; L603-M607 PolarHBondContact O-N 3.42Å; L603-M607 VanDerWaalsContact O-N 3.14Å |
| 604 | L | 83.8 | Confident | 82 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.5 | -37.5 | 175.5 | -72.9 | 168.7 | 0 | 0 | 0 | 111.6 | L582 V585 V586 L589 V600 V601 M607 C608 V615 L619 | L582-L604 HydrophobicContact CG-CD2 4.41Å; V585-L604 HydrophobicContact CG1-CD2 4.18Å; V585-L604 HydrophobicContact CG1-CG 4.27Å; V586-L604 HydrophobicContact CG2-CD2 4.28Å; L589-L604 HydrophobicContact CD1-CD1 3.69Å; L589-L604 HydrophobicContact CD2-CD1 3.91Å; L589-L604 HydrophobicContact CG-CD1 3.91Å; V600-L604 HydrophobicContact CG1-CD1 4.02Å; V600-L604 HydrophobicContact CG1-CG 4.47Å; V600-L604 WeakPolarHBondContact O-CB 3.28Å; V600-L604 WeakPolarHBondContact O-CG 3.37Å; V600-L604 PolarHBondContact O-N 3.08Å; V601-L604 PolarHBondContact O-N 3.09Å; L604-M607 HydrophobicContact CD2-CE 3.86Å; L604-M607 HydrophobicContact CG-CE 4.43Å; L604-M607 PolarHBondContact O-N 2.92Å; L604-C608 PolarHBondContact O-N 2.97Å; L604-V615 HydrophobicContact CB-CG1 4.39Å; L604-V615 HydrophobicContact CD2-CG1 4.49Å; L604-V615 VanDerWaalsContact O-CG1 3.3Å; L604-V615 WeakPolarHBondContact O-CG1 3.28Å; L604-L619 HydrophobicContact CB-CD2 3.83Å; L604-L619 HydrophobicContact CB-CG 4.48Å; L604-L619 HydrophobicContact CD1-CD2 4.38Å |
| 605 | G | 82.1 | Confident | 82 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | V601 I602 L603 M607 C608 S652 | V601-G605 PolarHBondContact O-N 3.27Å; I602-G605 PolarHBondContact O-N 3.45Å; L603-G605 VanDerWaalsContact C-N 3.29Å; L603-G605 PolarHBondContact O-N 3.4Å; G605-M607 VanDerWaalsContact C-N 3.29Å; G605-M607 PolarHBondContact O-N 2.79Å; G605-C608 WeakPolarHBondContact O-CB 3.29Å; G605-C608 PolarHBondContact O-N 2.98Å; G605-S652 CarbonylContact C-O 3.46Å |
| 606 | N | 80.7 | Confident | 82.3 | Confident | 59 Ų | 59 | 33.3 Ų | 33.3 | 32% | 0.316 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.2 | -32.3 | 176.4 | -66.8 | -17.6 | 0 | 0 | 0 | 112.9 | I602 L603 | I602-N606 PolarHBondContact O-N 3.05Å; L603-N606 PolarHBondContact O-N 3.4Å |
| 607 | M | 80.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -83.4 | -11.7 | 178.6 | -66.6 | -173.6 | -61.9 | 0 | 0 | 114.3 | H573 L576 A577 L582 V585 L603 L604 G605 D609 I610 N611 V615 | H573-M607 HydrophobicContact CB-CG 4.37Å; L576-M607 HydrophobicContact CB-SD 3.4Å; L576-M607 WeakPolarHBondContact CB-SD 3.38Å; A577-M607 HydrophobicContact CB-SD 4.48Å; L582-M607 HydrophobicContact CD1-CE 3.72Å; L582-M607 HydrophobicContact CD1-SD 4.06Å; V585-M607 HydrophobicContact CG1-CE 4.32Å; L603-M607 HydrophobicContact CG-CE 4.05Å; L603-M607 WeakPolarHBondContact O-CG 3.41Å; L603-M607 PolarHBondContact O-N 3.42Å; L603-M607 VanDerWaalsContact O-N 3.14Å; L604-M607 HydrophobicContact CD2-CE 3.86Å; L604-M607 HydrophobicContact CG-CE 4.43Å; L604-M607 PolarHBondContact O-N 2.92Å; G605-M607 VanDerWaalsContact C-N 3.29Å; G605-M607 PolarHBondContact O-N 2.79Å; M607-D609 PolarHBondContact O-N 2.97Å; M607-I610 PolarHBondContact O-N 3.21Å; M607-N611 PolarHBondContact O-N 3.31Å; M607-N611 VanDerWaalsContact O-N 3.08Å; M607-V615 HydrophobicContact CB-CG2 4.44Å |
| 608 | C | 81.9 | Confident | 82.4 | Confident | 12 Ų | 12 | 35 Ų | 35 | 8% | 0.081 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -35.3 | -176.6 | -172.5 | 0 | 0 | 0 | 0 | 112.6 | L604 G605 I610 V615 L619 | L604-C608 PolarHBondContact O-N 2.97Å; G605-C608 WeakPolarHBondContact O-CB 3.29Å; G605-C608 PolarHBondContact O-N 2.98Å; C608-I610 VanDerWaalsContact C-N 3.33Å; C608-V615 HydrophobicContact CB-CG1 3.98Å; C608-L619 HydrophobicContact CB-CD1 4.13Å |
| 609 | D | 76.2 | Confident | 82.5 | Confident | 106 Ų | 106 | 34.7 Ų | 34.7 | 57% | 0.567 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -19.6 | 177 | -83.8 | -23.1 | 0 | 0 | 0 | 113.4 | M607 K655 | M607-D609 PolarHBondContact O-N 2.97Å; D609-K655 WeakPolarHBondContact OD1-CD 3.41Å; D609-K655 IonicContact OD1-NZ 3.55Å; D609-K655 PolarHBondContact OD1-NZ 2.85Å; D609-K655 IonicContact OD2-NZ 2.95Å; D609-K655 PolarHBondContact OD2-NZ 3.49Å |
| 610 | I | 80 | Confident | 82.8 | Confident | 79 Ų | 79 | 40.8 Ų | 40.8 | 41% | 0.405 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -50.2 | -177.5 | -55.8 | 175.6 | 0 | 0 | 0 | 111 | H573 A577 M607 C608 | H573-I610 HydrophobicContact CB-CD1 3.63Å; A577-I610 HydrophobicContact CB-CB 4.28Å; A577-I610 HydrophobicContact CB-CG2 3.83Å; M607-I610 PolarHBondContact O-N 3.21Å; C608-I610 VanDerWaalsContact C-N 3.33Å |
| 611 | N | 82.5 | Confident | 82.9 | Confident | 32 Ų | 32 | 48 Ų | 48 | 17% | 0.171 | 25% | 0.248 | C | C | . | . | trans | -128.6 | 77.3 | 179.5 | -172.9 | -2.3 | 0 | 0 | 0 | 112 | A577 M607 A613 V615 | A577-N611 HydrophobicContact CB-CB 4.02Å; A577-N611 PolarHBondContact O-ND2 3.4Å; M607-N611 PolarHBondContact O-N 3.31Å; M607-N611 VanDerWaalsContact O-N 3.08Å; N611-A613 PolarHBondContact O-N 3.4Å; N611-A613 PolarHBondContact OD1-N 3.19Å; N611-V615 WeakPolarHBondContact O-CB 3.48Å; N611-V615 VanDerWaalsContact O-CG2 3.31Å; N611-V615 WeakPolarHBondContact O-CG2 3.45Å; N611-V615 PolarHBondContact O-N 3.15Å | ||
| 612 | P | 80.5 | Confident | 82.9 | Confident | 70 Ų | 70 | 48.7 Ų | 48.7 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.9 | -25 | -177.7 | 24.5 | -33.4 | 0 | 0 | 0 | 113.2 | Y614 V616 | P612-Y614 PolarHBondContact O-N 3.02Å; P612-V616 HydrophobicContact CB-CG2 3.89Å; P612-V616 WeakPolarHBondContact O-CB 3.45Å; P612-V616 VanDerWaalsContact O-CG2 3.23Å; P612-V616 WeakPolarHBondContact O-CG2 3.47Å; P612-V616 PolarHBondContact O-N 3.39Å; P612-V616 VanDerWaalsContact O-N 3.12Å |
| 613 | A | 81 | Confident | 83.1 | Confident | 71 Ų | 71 | 47.8 Ų | 47.8 | 59% | 0.587 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64.5 | -39.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N611 P617 | N611-A613 PolarHBondContact O-N 3.4Å; N611-A613 PolarHBondContact OD1-N 3.19Å; A613-P617 WeakPolarHBondContact O-CD 3.47Å; A613-P617 WeakPolarHBondContact O-CG 3.34Å |
| 614 | Y | 79.6 | Confident | 83.4 | Confident | 129 Ų | 129 | 52.1 Ų | 52.1 | 51% | 0.506 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -97.4 | -33.6 | -179.9 | -76.5 | -91.5 | 0 | 0 | 0 | 113 | A579 P612 T618 | A579-Y614 HydrophobicContact CB-CE1 4.37Å; A579-Y614 HydrophobicContact CB-CE2 4.26Å; P612-Y614 PolarHBondContact O-N 3.02Å; Y614-T618 PolarHBondContact O-OG1 2.86Å |
| 615 | V | 82.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -78.4 | -43.4 | -174.6 | 178.6 | 0 | 0 | 0 | 0 | 111.7 | L582 L604 M607 C608 N611 T618 L619 | L582-V615 HydrophobicContact CD1-CG2 3.82Å; L582-V615 HydrophobicContact CD2-CG2 3.77Å; L582-V615 HydrophobicContact CG-CG2 4.42Å; L604-V615 HydrophobicContact CB-CG1 4.39Å; L604-V615 HydrophobicContact CD2-CG1 4.49Å; L604-V615 VanDerWaalsContact O-CG1 3.3Å; L604-V615 WeakPolarHBondContact O-CG1 3.28Å; M607-V615 HydrophobicContact CB-CG2 4.44Å; C608-V615 HydrophobicContact CB-CG1 3.98Å; N611-V615 WeakPolarHBondContact O-CB 3.48Å; N611-V615 VanDerWaalsContact O-CG2 3.31Å; N611-V615 WeakPolarHBondContact O-CG2 3.45Å; N611-V615 PolarHBondContact O-N 3.15Å; V615-T618 PolarHBondContact O-N 3.24Å; V615-T618 VanDerWaalsContact O-N 3.16Å; V615-L619 HydrophobicContact CG1-CD1 3.63Å; V615-L619 HydrophobicContact CG1-CG 3.87Å; V615-L619 WeakPolarHBondContact O-CG 3.28Å; V615-L619 PolarHBondContact O-N 2.95Å |
| 616 | V | 84.4 | Confident | 83.7 | Confident | 47 Ų | 47 | 55.3 Ų | 55.3 | 29% | 0.285 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | -175.7 | 173.1 | 0 | 0 | 0 | 0 | 113 | P612 T618 L619 R620 F656 | P612-V616 HydrophobicContact CB-CG2 3.89Å; P612-V616 WeakPolarHBondContact O-CB 3.45Å; P612-V616 VanDerWaalsContact O-CG2 3.23Å; P612-V616 WeakPolarHBondContact O-CG2 3.47Å; P612-V616 PolarHBondContact O-N 3.39Å; P612-V616 VanDerWaalsContact O-N 3.12Å; V616-T618 VanDerWaalsContact C-N 3.27Å; V616-T618 PolarHBondContact O-N 3.14Å; V616-L619 PolarHBondContact O-N 3.04Å; V616-R620 VanDerWaalsContact O-CB 3.31Å; V616-R620 WeakPolarHBondContact O-CB 3.48Å; V616-R620 PolarHBondContact O-N 3.36Å; V616-F656 HydrophobicContact CG1-CD2 3.98Å; V616-F656 HydrophobicContact CG1-CE2 3.87Å; V616-F656 HydrophobicContact CG2-CD2 4.44Å |
| 617 | P | 86.4 | Confident | 84.1 | Confident | 75 Ų | 75 | 53.1 Ų | 53.1 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.7 | -37.9 | 176 | -23.5 | 34.6 | 0 | 0 | 0 | 112.5 | A613 R620 R621 | A613-P617 WeakPolarHBondContact O-CD 3.47Å; A613-P617 WeakPolarHBondContact O-CG 3.34Å; P617-R620 PolarHBondContact O-N 3.4Å; P617-R621 PolarHBondContact O-N 3.35Å; P617-R621 VanDerWaalsContact O-N 3.08Å |
| 618 | T | 84.3 | Confident | 84.3 | Confident | 24 Ų | 24 | 57.7 Ų | 57.7 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.9 | -47.6 | -179.4 | -51.8 | 0 | 0 | 0 | 0 | 111.2 | V586 L589 Y614 V615 V616 R620 R621 V622 | V586-T618 HydrophobicContact CG1-CG2 3.99Å; V586-T618 HydrophobicContact CG2-CG2 3.91Å; L589-T618 HydrophobicContact CD1-CG2 3.81Å; Y614-T618 PolarHBondContact O-OG1 2.86Å; V615-T618 PolarHBondContact O-N 3.24Å; V615-T618 VanDerWaalsContact O-N 3.16Å; V616-T618 VanDerWaalsContact C-N 3.27Å; V616-T618 PolarHBondContact O-N 3.14Å; T618-R620 VanDerWaalsContact C-N 3.31Å; T618-R620 PolarHBondContact O-N 3.13Å; T618-R621 PolarHBondContact O-N 3.22Å; T618-V622 WeakPolarHBondContact O-CG2 3.31Å; T618-V622 PolarHBondContact O-N 3.44Å |
| 619 | L | 86.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.5 | -36.8 | 175 | -71.4 | -177 | 0 | 0 | 0 | 112 | L604 C608 V615 V616 R621 V622 L623 L649 F656 | L604-L619 HydrophobicContact CB-CD2 3.83Å; L604-L619 HydrophobicContact CB-CG 4.48Å; L604-L619 HydrophobicContact CD1-CD2 4.38Å; C608-L619 HydrophobicContact CB-CD1 4.13Å; V615-L619 HydrophobicContact CG1-CD1 3.63Å; V615-L619 HydrophobicContact CG1-CG 3.87Å; V615-L619 WeakPolarHBondContact O-CG 3.28Å; V615-L619 PolarHBondContact O-N 2.95Å; V616-L619 PolarHBondContact O-N 3.04Å; L619-R621 PolarHBondContact O-N 3.35Å; L619-V622 PolarHBondContact O-N 3.49Å; L619-L623 WeakPolarHBondContact O-CB 3.4Å; L619-L623 PolarHBondContact O-N 2.92Å; L619-L649 HydrophobicContact CD1-CD1 4.36Å; L619-L649 HydrophobicContact CD2-CD1 3.74Å; L619-L649 HydrophobicContact CG-CD1 4.47Å; L619-F656 HydrophobicContact CB-CD1 4.41Å; L619-F656 HydrophobicContact CB-CE1 3.92Å; L619-F656 HydrophobicContact CB-CE2 4.42Å; L619-F656 HydrophobicContact CB-CZ 3.93Å; L619-F656 HydrophobicContact CD1-CD1 4.5Å |
| 620 | R | 88 | Confident | 84.6 | Confident | 129 Ų | 129 | 55 Ų | 55 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 174.5 | -174.9 | 177.7 | 178.5 | 137.7 | 0.3 | 112.2 | V616 P617 T618 L623 L624 F656 Y660 | V616-R620 VanDerWaalsContact O-CB 3.31Å; V616-R620 WeakPolarHBondContact O-CB 3.48Å; V616-R620 PolarHBondContact O-N 3.36Å; P617-R620 PolarHBondContact O-N 3.4Å; T618-R620 VanDerWaalsContact C-N 3.31Å; T618-R620 PolarHBondContact O-N 3.13Å; R620-L623 PolarHBondContact O-N 3.29Å; R620-L624 HydrophobicContact CG-CD1 4.49Å; R620-L624 WeakPolarHBondContact O-CG 3.37Å; R620-L624 PolarHBondContact O-N 3.26Å; R620-F656 HydrophobicContact CB-CE2 4.3Å; R620-F656 HydrophobicContact CB-CZ 4.11Å; R620-Y660 WeakPolarHBondContact CD-OH 3.37Å; R620-Y660 VanDerWaalsContact CZ-OH 3.32Å; R620-Y660 PolarHBondContact NH1-OH 3.32Å |
| 621 | R | 87.2 | Confident | 84.6 | Confident | 153 Ų | 153 | 53.9 Ų | 53.9 | 58% | 0.577 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.6 | -43.8 | 175.3 | -175.2 | 178.4 | 62.7 | 171.7 | -0.5 | 111.4 | P617 T618 L619 L624 Q625 | P617-R621 PolarHBondContact O-N 3.35Å; P617-R621 VanDerWaalsContact O-N 3.08Å; T618-R621 PolarHBondContact O-N 3.22Å; L619-R621 PolarHBondContact O-N 3.35Å; R621-L624 PolarHBondContact O-N 3.37Å; R621-Q625 PolarHBondContact O-N 3.37Å |
| 622 | V | 85.9 | Confident | 84.4 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 176.2 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | L589 T618 L619 L624 Q625 V626 L645 | L589-V622 HydrophobicContact CD1-CG2 3.9Å; L589-V622 HydrophobicContact CD2-CG2 4.02Å; T618-V622 WeakPolarHBondContact O-CG2 3.31Å; T618-V622 PolarHBondContact O-N 3.44Å; L619-V622 PolarHBondContact O-N 3.49Å; V622-L624 VanDerWaalsContact C-N 3.35Å; V622-L624 PolarHBondContact O-N 3.01Å; V622-Q625 WeakPolarHBondContact O-CB 3.37Å; V622-Q625 PolarHBondContact O-N 3.18Å; V622-V626 HydrophobicContact CG1-CG2 4.33Å; V622-V626 VanDerWaalsContact O-CG2 3.32Å; V622-V626 WeakPolarHBondContact O-CG2 3.01Å; V622-V626 PolarHBondContact O-N 2.93Å; V622-L645 HydrophobicContact CG1-CD2 4.04Å |
| 623 | L | 88.1 | Confident | 84.3 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 177.6 | 178.4 | 64.1 | 0 | 0 | 0 | 112.4 | L619 R620 V626 F627 F646 L649 F656 M657 Y660 | L619-L623 WeakPolarHBondContact O-CB 3.4Å; L619-L623 PolarHBondContact O-N 2.92Å; R620-L623 PolarHBondContact O-N 3.29Å; L623-V626 PolarHBondContact O-N 3.35Å; L623-F627 HydrophobicContact CD1-CD1 4.23Å; L623-F627 HydrophobicContact CD1-CE1 3.73Å; L623-F627 HydrophobicContact CD1-CE2 4.1Å; L623-F627 HydrophobicContact CD1-CZ 3.64Å; L623-F627 HydrophobicContact CD2-CE2 4.36Å; L623-F627 HydrophobicContact CD2-CZ 4.46Å; L623-F627 HydrophobicContact CG-CD2 4.41Å; L623-F627 HydrophobicContact CG-CE1 4.49Å; L623-F627 HydrophobicContact CG-CE2 4.04Å; L623-F627 HydrophobicContact CG-CZ 4.1Å; L623-F627 WeakPolarHBondContact O-CG 3.35Å; L623-F627 PolarHBondContact O-N 3.17Å; L623-F646 HydrophobicContact CD1-CD2 3.88Å; L623-F646 HydrophobicContact CD1-CE2 3.68Å; L623-L649 HydrophobicContact CB-CD2 4.25Å; L623-L649 HydrophobicContact CD1-CD2 4Å; L623-F656 HydrophobicContact CD2-CE1 4.19Å; L623-F656 HydrophobicContact CD2-CZ 4.29Å; L623-M657 HydrophobicContact CD1-CE 3.76Å; L623-M657 HydrophobicContact CD1-SD 3.99Å; L623-M657 HydrophobicContact CD2-CE 4.15Å; L623-M657 HydrophobicContact CD2-SD 3.93Å; L623-Y660 HydrophobicContact CD2-CD1 4.11Å; L623-Y660 HydrophobicContact CD2-CD2 3.52Å; L623-Y660 HydrophobicContact CD2-CE2 4.03Å; L623-Y660 HydrophobicContact CD2-CG 3.57Å |
| 624 | L | 88.7 | Confident | 83.9 | Confident | 91 Ų | 91 | 57.6 Ų | 57.6 | 48% | 0.476 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 176.5 | -70 | 171.4 | 0 | 0 | 0 | 111.7 | R620 R621 V622 V626 F627 D628 | R620-L624 HydrophobicContact CG-CD1 4.49Å; R620-L624 WeakPolarHBondContact O-CG 3.37Å; R620-L624 PolarHBondContact O-N 3.26Å; R621-L624 PolarHBondContact O-N 3.37Å; V622-L624 VanDerWaalsContact C-N 3.35Å; V622-L624 PolarHBondContact O-N 3.01Å; L624-V626 VanDerWaalsContact C-N 3.33Å; L624-V626 PolarHBondContact O-N 2.75Å; L624-F627 PolarHBondContact O-N 2.78Å; L624-D628 PolarHBondContact O-N 3.12Å |
| 625 | Q | 87 | Confident | 83.8 | Confident | 66 Ų | 66 | 56.5 Ų | 56.5 | 31% | 0.308 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 175.2 | -176.5 | 179.7 | -11.8 | 0 | 0 | 111.4 | R621 V622 F627 D628 E629 | R621-Q625 PolarHBondContact O-N 3.37Å; V622-Q625 WeakPolarHBondContact O-CB 3.37Å; V622-Q625 PolarHBondContact O-N 3.18Å; Q625-F627 PolarHBondContact O-N 3.16Å; Q625-D628 PolarHBondContact O-N 2.89Å; Q625-E629 HydrophobicContact CG-CG 4.45Å; Q625-E629 WeakPolarHBondContact CG-OE1 3.48Å; Q625-E629 PolarHBondContact NE2-OE1 3.49Å; Q625-E629 WeakPolarHBondContact O-CB 3.48Å; Q625-E629 WeakPolarHBondContact O-CG 3.1Å; Q625-E629 PolarHBondContact O-N 3Å |
| 626 | V | 86.5 | Confident | 83.4 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 176.5 | 167.3 | 0 | 0 | 0 | 0 | 111.4 | V622 L623 L624 E629 M630 S642 L645 F646 | V622-V626 HydrophobicContact CG1-CG2 4.33Å; V622-V626 VanDerWaalsContact O-CG2 3.32Å; V622-V626 WeakPolarHBondContact O-CG2 3.01Å; V622-V626 PolarHBondContact O-N 2.93Å; L623-V626 PolarHBondContact O-N 3.35Å; L624-V626 VanDerWaalsContact C-N 3.33Å; L624-V626 PolarHBondContact O-N 2.75Å; V626-E629 PolarHBondContact O-N 3.41Å; V626-M630 HydrophobicContact CG1-CE 3.86Å; V626-M630 HydrophobicContact CG1-SD 4.22Å; V626-M630 WeakPolarHBondContact O-CB 3.44Å; V626-M630 VanDerWaalsContact O-CG 3.27Å; V626-M630 WeakPolarHBondContact O-CG 3.28Å; V626-M630 PolarHBondContact O-N 3.05Å; V626-S642 WeakPolarHBondContact CG1-O 3.5Å; V626-L645 HydrophobicContact CG2-CD2 3.86Å; V626-F646 HydrophobicContact CG1-CB 3.82Å; V626-F646 HydrophobicContact CG1-CD2 4.19Å; V626-F646 HydrophobicContact CG1-CG 4.44Å |
| 627 | F | 88 | Confident | 83.1 | Confident | 13 Ų | 13 | 64.5 Ų | 64.5 | 6% | 0.057 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 174.6 | -74.2 | -9.4 | 0 | 0 | 0 | 112.9 | L623 L624 Q625 M630 N631 F646 T663 A664 I667 | L623-F627 HydrophobicContact CD1-CD1 4.23Å; L623-F627 HydrophobicContact CD1-CE1 3.73Å; L623-F627 HydrophobicContact CD1-CE2 4.1Å; L623-F627 HydrophobicContact CD1-CZ 3.64Å; L623-F627 HydrophobicContact CD2-CE2 4.36Å; L623-F627 HydrophobicContact CD2-CZ 4.46Å; L623-F627 HydrophobicContact CG-CD2 4.41Å; L623-F627 HydrophobicContact CG-CE1 4.49Å; L623-F627 HydrophobicContact CG-CE2 4.04Å; L623-F627 HydrophobicContact CG-CZ 4.1Å; L623-F627 WeakPolarHBondContact O-CG 3.35Å; L623-F627 PolarHBondContact O-N 3.17Å; L624-F627 PolarHBondContact O-N 2.78Å; Q625-F627 PolarHBondContact O-N 3.16Å; F627-M630 HydrophobicContact CD1-CE 3.47Å; F627-M630 VanDerWaalsContact CD1-CE 3.47Å; F627-M630 HydrophobicContact CE1-CE 4.01Å; F627-N631 WeakPolarHBondContact O-CB 2.95Å; F627-N631 PolarHBondContact O-N 2.94Å; F627-N631 VanDerWaalsContact O-N 3.11Å; F627-N631 PolarHBondContact O-ND2 3.23Å; F627-F646 HydrophobicContact CD1-CE2 4.48Å; F627-F646 AromaticContact CE1-CD2 3.97Å; F627-F646 HydrophobicContact CE1-CD2 3.97Å; F627-F646 AromaticContact CE1-CE2 3.46Å; F627-F646 HydrophobicContact CE1-CE2 3.46Å; F627-F646 VanDerWaalsContact CE1-CE2 3.46Å; F627-F646 HydrophobicContact CE1-CZ 4.21Å; F627-F646 HydrophobicContact CZ-CE2 4.01Å; F627-T663 HydrophobicContact CE2-CG2 4.21Å; F627-A664 HydrophobicContact CE1-CB 4.14Å; F627-A664 HydrophobicContact CZ-CB 3.91Å; F627-I667 HydrophobicContact CB-CD1 3.9Å; F627-I667 HydrophobicContact CD1-CD1 3.96Å; F627-I667 HydrophobicContact CD2-CD1 3.93Å; F627-I667 HydrophobicContact CE1-CD1 4.4Å; F627-I667 HydrophobicContact CE2-CD1 4.4Å; F627-I667 HydrophobicContact CG-CD1 3.68Å |
| 628 | D | 84.5 | Confident | 82.8 | Confident | 96 Ų | 96 | 63.9 Ų | 63.9 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 176.3 | -79.8 | -12.8 | 0 | 0 | 0 | 111.6 | L624 Q625 N631 H632 | L624-D628 PolarHBondContact O-N 3.12Å; Q625-D628 PolarHBondContact O-N 2.89Å; D628-N631 PolarHBondContact O-N 3.08Å; D628-H632 WeakPolarHBondContact O-CB 3.15Å; D628-H632 PolarHBondContact O-N 3.26Å |
| 629 | E | 82.8 | Confident | 82.7 | Confident | 61 Ų | 61 | 63.4 Ų | 63.4 | 29% | 0.285 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 178.2 | -73.4 | 174.3 | -173.3 | 0 | 0 | 111.9 | Q625 V626 S633 S642 | Q625-E629 HydrophobicContact CG-CG 4.45Å; Q625-E629 WeakPolarHBondContact CG-OE1 3.48Å; Q625-E629 PolarHBondContact NE2-OE1 3.49Å; Q625-E629 WeakPolarHBondContact O-CB 3.48Å; Q625-E629 WeakPolarHBondContact O-CG 3.1Å; Q625-E629 PolarHBondContact O-N 3Å; V626-E629 PolarHBondContact O-N 3.41Å; E629-S633 WeakPolarHBondContact O-CB 3.35Å; E629-S633 PolarHBondContact O-N 3.22Å; E629-S633 PolarHBondContact O-OG 2.95Å; E629-S642 VanDerWaalsContact CB-OG 3.22Å; E629-S642 WeakPolarHBondContact CB-OG 3.27Å; E629-S642 PolarHBondContact OE2-OG 3.44Å |
| 630 | M | 81.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.9 | -34.6 | 175 | -71.2 | -174.5 | -53.5 | 0 | 0 | 113 | V626 F627 A643 I667 L668 K671 F685 | V626-M630 HydrophobicContact CG1-CE 3.86Å; V626-M630 HydrophobicContact CG1-SD 4.22Å; V626-M630 WeakPolarHBondContact O-CB 3.44Å; V626-M630 VanDerWaalsContact O-CG 3.27Å; V626-M630 WeakPolarHBondContact O-CG 3.28Å; V626-M630 PolarHBondContact O-N 3.05Å; F627-M630 HydrophobicContact CD1-CE 3.47Å; F627-M630 VanDerWaalsContact CD1-CE 3.47Å; F627-M630 HydrophobicContact CE1-CE 4.01Å; M630-A643 HydrophobicContact SD-CB 4.38Å; M630-I667 HydrophobicContact CB-CG2 4.38Å; M630-I667 HydrophobicContact CE-CG2 4.33Å; M630-L668 HydrophobicContact CE-CD2 4.49Å; M630-L668 HydrophobicContact SD-CD2 4.03Å; M630-K671 WeakPolarHBondContact O-CE 3.45Å; M630-K671 PolarHBondContact O-NZ 3.34Å; M630-K671 VanDerWaalsContact O-NZ 3.16Å; M630-F685 HydrophobicContact CB-CE1 4.29Å; M630-F685 HydrophobicContact CG-CE1 3.9Å; M630-F685 HydrophobicContact CG-CZ 4.43Å; M630-F685 HydrophobicContact SD-CD1 4.33Å; M630-F685 HydrophobicContact SD-CE1 3.65Å |
| 631 | N | 80.2 | Confident | 82.1 | Confident | 55 Ų | 55 | 61.3 Ų | 61.3 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -82.3 | -45.2 | -179.4 | -84.3 | -37.2 | 0 | 0 | 0 | 113.1 | F627 D628 I667 K671 | F627-N631 WeakPolarHBondContact O-CB 2.95Å; F627-N631 PolarHBondContact O-N 2.94Å; F627-N631 VanDerWaalsContact O-N 3.11Å; F627-N631 PolarHBondContact O-ND2 3.23Å; D628-N631 PolarHBondContact O-N 3.08Å; N631-I667 WeakPolarHBondContact OD1-CG2 3.47Å; N631-K671 PolarHBondContact O-NZ 3.3Å; N631-K671 VanDerWaalsContact O-NZ 3.12Å |
| 632 | H | 79.6 | Confident | 82 | Confident | 149 Ų | 149 | 54.2 Ų | 54.2 | 69% | 0.69 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -116.1 | -6.5 | -160 | -59.9 | -56.4 | 0 | 0 | 0 | 115.5 | D628 G634 | D628-H632 WeakPolarHBondContact O-CB 3.15Å; D628-H632 PolarHBondContact O-N 3.26Å; H632-G634 PolarHBondContact O-N 3.31Å |
| 633 | S | 78 | Confident | 81.8 | Confident | 33 Ų | 33 | 53.6 Ų | 53.6 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | trans | -68.9 | -33.2 | -174.4 | 68.5 | 0 | 0 | 0 | 0 | 114 | E629 L635 E639 | E629-S633 WeakPolarHBondContact O-CB 3.35Å; E629-S633 PolarHBondContact O-N 3.22Å; E629-S633 PolarHBondContact O-OG 2.95Å; S633-L635 PolarHBondContact O-N 3.49Å; S633-E639 WeakPolarHBondContact OG-CG 3.39Å | ||
| 634 | G | 72.6 | Confident | 81.5 | Confident | 69 Ų | 69 | 56.3 Ų | 56.3 | 71% | 0.711 | 29% | 0.292 | S | S | * | . | trans | 63.3 | 4.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | H632 | H632-G634 PolarHBondContact O-N 3.31Š| ||
| 635 | L | 77.8 | Confident | 81.3 | Confident | 107 Ų | 107 | 52.8 Ų | 52.8 | 56% | 0.56 | 27% | 0.274 | S | S | * | . | trans | -115.1 | 116.5 | 179.8 | -69.6 | 171.1 | 0 | 0 | 0 | 108.5 | S633 R637 N638 E639 | S633-L635 PolarHBondContact O-N 3.49Å; L635-R637 VanDerWaalsContact C-N 3.27Å; L635-R637 PolarHBondContact O-N 2.96Å; L635-N638 HydrophobicContact CB-CB 4.41Å; L635-N638 PolarHBondContact O-N 3.28Å; L635-E639 PolarHBondContact O-N 3.48Å; L635-E639 VanDerWaalsContact O-N 3.15Å | ||
| 636 | S | 73.9 | Confident | 81.3 | Confident | 41 Ų | 41 | 49.7 Ų | 49.7 | 29% | 0.287 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -51.8 | -42.3 | -175.7 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | N638 E639 E640 Q678 V681 | S636-N638 VanDerWaalsContact C-N 3.32Å; S636-N638 PolarHBondContact O-N 3.15Å; S636-E639 PolarHBondContact O-N 3.15Å; S636-E640 WeakPolarHBondContact O-CB 3.26Å; S636-E640 PolarHBondContact O-N 3.34Å; S636-Q678 PolarHBondContact OG-OE1 3.2Å; S636-V681 WeakPolarHBondContact O-CG2 3.37Å |
| 637 | R | 77.8 | Confident | 81 | Confident | 174 Ų | 174 | 49.6 Ų | 49.6 | 66% | 0.657 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.8 | -38.1 | 178.6 | -171.5 | 176.4 | -176 | 170.3 | 5.1 | 113.4 | L635 Q641 | L635-R637 VanDerWaalsContact C-N 3.27Å; L635-R637 PolarHBondContact O-N 2.96Å; R637-Q641 WeakPolarHBondContact O-CB 3.47Å; R637-Q641 VanDerWaalsContact O-CG 3.28Å; R637-Q641 WeakPolarHBondContact O-CG 3.28Å; R637-Q641 PolarHBondContact O-N 2.95Å; R637-Q641 VanDerWaalsContact O-N 3.11Å |
| 638 | N | 81.2 | Confident | 80.7 | Confident | 62 Ų | 62 | 50.1 Ų | 50.1 | 33% | 0.332 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -75 | -38.7 | 179.3 | -69.9 | -0.3 | 0 | 0 | 0 | 110.3 | L635 S636 S642 | L635-N638 HydrophobicContact CB-CB 4.41Å; L635-N638 PolarHBondContact O-N 3.28Å; S636-N638 VanDerWaalsContact C-N 3.32Å; S636-N638 PolarHBondContact O-N 3.15Å; N638-S642 VanDerWaalsContact O-CB 3.24Å; N638-S642 WeakPolarHBondContact O-CB 3.11Å; N638-S642 PolarHBondContact O-N 2.86Å; N638-S642 PolarHBondContact O-OG 3.33Å |
| 639 | E | 80.9 | Confident | 80.7 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -44.8 | 174 | -64.2 | -174.9 | 153 | 0 | 0 | 111.4 | S633 L635 S636 S642 A643 K671 V681 F685 | S633-E639 WeakPolarHBondContact OG-CG 3.39Å; L635-E639 PolarHBondContact O-N 3.48Å; L635-E639 VanDerWaalsContact O-N 3.15Å; S636-E639 PolarHBondContact O-N 3.15Å; E639-S642 PolarHBondContact O-N 2.75Å; E639-A643 WeakPolarHBondContact O-CB 3.4Å; E639-A643 PolarHBondContact O-N 3.37Å; E639-K671 IonicContact OE1-NZ 2.7Å; E639-K671 PolarHBondContact OE1-NZ 2.84Å; E639-V681 HydrophobicContact CB-CG1 3.7Å; E639-F685 HydrophobicContact CB-CZ 4.19Å |
| 640 | E | 79.4 | Confident | 80.7 | Confident | 36 Ų | 36 | 42.8 Ų | 42.8 | 17% | 0.168 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -53.4 | 176.7 | -172.3 | -157.8 | 157.4 | 0 | 0 | 111.9 | S636 S642 A643 R644 D680 V681 S684 | S636-E640 WeakPolarHBondContact O-CB 3.26Å; S636-E640 PolarHBondContact O-N 3.34Å; E640-S642 VanDerWaalsContact C-N 3.29Å; E640-S642 PolarHBondContact O-N 3.46Å; E640-A643 PolarHBondContact O-N 3.32Å; E640-R644 PolarHBondContact O-N 3.1Å; E640-R644 IonicContact OE1-CZ 2.72Å; E640-R644 IonicContact OE1-NE 3.97Å; E640-R644 IonicContact OE1-NH2 2.7Å; E640-R644 PolarHBondContact OE1-NH2 2.76Å; E640-D680 HydrophobicContact CG-CB 4.5Å; E640-V681 HydrophobicContact CB-CG2 4.22Å; E640-S684 VanDerWaalsContact CG-OG 3.3Å; E640-S684 WeakPolarHBondContact CG-OG 3.21Å |
| 641 | Q | 83.4 | Confident | 80.6 | Confident | 50 Ų | 50 | 45.2 Ų | 45.2 | 23% | 0.234 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.7 | -42.5 | -179.8 | -76.7 | -177.7 | -6.9 | 0 | 0 | 111.4 | Y594 R637 R644 L645 | Y594-Q641 HydrophobicContact CD2-CB 3.75Å; Y594-Q641 HydrophobicContact CD2-CG 3.71Å; Y594-Q641 HydrophobicContact CE2-CB 3.53Å; Y594-Q641 HydrophobicContact CE2-CG 3.89Å; Y594-Q641 VanDerWaalsContact CE2-O 3.24Å; Y594-Q641 WeakPolarHBondContact CE2-O 3.35Å; Y594-Q641 HydrophobicContact CG-CG 4.19Å; Y594-Q641 PolarHBondContact OH-O 3.24Å; R637-Q641 WeakPolarHBondContact O-CB 3.47Å; R637-Q641 VanDerWaalsContact O-CG 3.28Å; R637-Q641 WeakPolarHBondContact O-CG 3.28Å; R637-Q641 PolarHBondContact O-N 2.95Å; R637-Q641 VanDerWaalsContact O-N 3.11Å; Q641-R644 PolarHBondContact O-N 2.82Å; Q641-L645 VanDerWaalsContact O-CB 3.31Å; Q641-L645 WeakPolarHBondContact O-CB 3.01Å; Q641-L645 PolarHBondContact O-N 2.98Å |
| 642 | S | 84.3 | Confident | 80.5 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.7 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | V626 E629 N638 E639 E640 L645 F646 | V626-S642 WeakPolarHBondContact CG1-O 3.5Å; E629-S642 VanDerWaalsContact CB-OG 3.22Å; E629-S642 WeakPolarHBondContact CB-OG 3.27Å; E629-S642 PolarHBondContact OE2-OG 3.44Å; N638-S642 VanDerWaalsContact O-CB 3.24Å; N638-S642 WeakPolarHBondContact O-CB 3.11Å; N638-S642 PolarHBondContact O-N 2.86Å; N638-S642 PolarHBondContact O-OG 3.33Å; E639-S642 PolarHBondContact O-N 2.75Å; E640-S642 VanDerWaalsContact C-N 3.29Å; E640-S642 PolarHBondContact O-N 3.46Å; S642-L645 PolarHBondContact O-N 2.9Å; S642-F646 VanDerWaalsContact O-CB 3.29Å; S642-F646 WeakPolarHBondContact O-CB 3.31Å; S642-F646 PolarHBondContact O-N 3.35Å |
| 643 | A | 81.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.1 | -41.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M630 E639 E640 F646 A647 F685 | M630-A643 HydrophobicContact SD-CB 4.38Å; E639-A643 WeakPolarHBondContact O-CB 3.4Å; E639-A643 PolarHBondContact O-N 3.37Å; E640-A643 PolarHBondContact O-N 3.32Å; A643-F646 WeakPolarHBondContact O-CB 3.41Å; A643-F646 PolarHBondContact O-N 3.16Å; A643-A647 PolarHBondContact O-N 3.19Å; A643-F685 HydrophobicContact CB-CD1 3.45Å; A643-F685 VanDerWaalsContact CB-CD1 3.45Å; A643-F685 HydrophobicContact CB-CE1 3.74Å; A643-F685 HydrophobicContact CB-CG 4.22Å |
| 644 | R | 82.7 | Confident | 80.4 | Confident | 58 Ų | 58 | 37.6 Ų | 37.6 | 22% | 0.219 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -42.1 | 173 | -79.6 | -174.5 | 179 | -173.7 | 2.8 | 112.1 | Y594 E640 Q641 F646 A647 Q648 | Y594-R644 HydrophobicContact CE1-CB 4.47Å; Y594-R644 WeakPolarHBondContact OH-CB 3.46Å; E640-R644 PolarHBondContact O-N 3.1Å; E640-R644 IonicContact OE1-CZ 2.72Å; E640-R644 IonicContact OE1-NE 3.97Å; E640-R644 IonicContact OE1-NH2 2.7Å; E640-R644 PolarHBondContact OE1-NH2 2.76Å; Q641-R644 PolarHBondContact O-N 2.82Å; R644-F646 VanDerWaalsContact C-N 3.28Å; R644-F646 PolarHBondContact O-N 2.81Å; R644-A647 WeakPolarHBondContact O-CB 3.5Å; R644-A647 PolarHBondContact O-N 2.78Å; R644-A647 VanDerWaalsContact O-N 3.15Å; R644-Q648 WeakPolarHBondContact O-CG 3.36Å; R644-Q648 PolarHBondContact O-N 3.42Å; R644-Q648 VanDerWaalsContact O-N 3.08Å |
| 645 | L | 83.8 | Confident | 80.6 | Confident | 18 Ų | 18 | 40.7 Ų | 40.7 | 9% | 0.094 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -37.7 | -178.6 | -149.9 | 118.5 | 0 | 0 | 0 | 110.1 | Y594 R597 V601 V622 V626 Q641 S642 L649 | Y594-L645 HydrophobicContact CD2-CD1 4.24Å; Y594-L645 HydrophobicContact CE2-CB 4.29Å; Y594-L645 HydrophobicContact CE2-CD1 3.52Å; Y594-L645 WeakPolarHBondContact OH-CA 3.3Å; Y594-L645 PolarHBondContact OH-N 2.68Å; R597-L645 HydrophobicContact CB-CD1 3.91Å; V601-L645 HydrophobicContact CG2-CD2 3.83Å; V601-L645 HydrophobicContact CG2-CG 4.2Å; V622-L645 HydrophobicContact CG1-CD2 4.04Å; V626-L645 HydrophobicContact CG2-CD2 3.86Å; Q641-L645 VanDerWaalsContact O-CB 3.31Å; Q641-L645 WeakPolarHBondContact O-CB 3.01Å; Q641-L645 PolarHBondContact O-N 2.98Å; S642-L645 PolarHBondContact O-N 2.9Å; L645-L649 WeakPolarHBondContact O-CB 3.42Å; L645-L649 PolarHBondContact O-N 3.2Å |
| 646 | F | 86.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.4 | -48 | 170.1 | -176.3 | -98.9 | 0 | 0 | 0 | 112.3 | L623 V626 F627 S642 A643 R644 Q648 L649 V650 M657 A664 L668 A688 L692 | L623-F646 HydrophobicContact CD1-CD2 3.88Å; L623-F646 HydrophobicContact CD1-CE2 3.68Å; V626-F646 HydrophobicContact CG1-CB 3.82Å; V626-F646 HydrophobicContact CG1-CD2 4.19Å; V626-F646 HydrophobicContact CG1-CG 4.44Å; F627-F646 HydrophobicContact CD1-CE2 4.48Å; F627-F646 AromaticContact CE1-CD2 3.97Å; F627-F646 HydrophobicContact CE1-CD2 3.97Å; F627-F646 AromaticContact CE1-CE2 3.46Å; F627-F646 HydrophobicContact CE1-CE2 3.46Å; F627-F646 VanDerWaalsContact CE1-CE2 3.46Å; F627-F646 HydrophobicContact CE1-CZ 4.21Å; F627-F646 HydrophobicContact CZ-CE2 4.01Å; S642-F646 VanDerWaalsContact O-CB 3.29Å; S642-F646 WeakPolarHBondContact O-CB 3.31Å; S642-F646 PolarHBondContact O-N 3.35Å; A643-F646 WeakPolarHBondContact O-CB 3.41Å; A643-F646 PolarHBondContact O-N 3.16Å; R644-F646 VanDerWaalsContact C-N 3.28Å; R644-F646 PolarHBondContact O-N 2.81Å; F646-Q648 VanDerWaalsContact C-N 3.31Å; F646-Q648 PolarHBondContact O-N 2.88Å; F646-L649 WeakPolarHBondContact O-CB 3.48Å; F646-L649 PolarHBondContact O-N 2.91Å; F646-V650 HydrophobicContact CD1-CG2 4.07Å; F646-V650 HydrophobicContact CE1-CG2 3.7Å; F646-V650 HydrophobicContact CE2-CG2 4.27Å; F646-V650 HydrophobicContact CZ-CG2 3.81Å; F646-V650 VanDerWaalsContact O-CG2 3.26Å; F646-V650 WeakPolarHBondContact O-CG2 3.06Å; F646-V650 PolarHBondContact O-N 3.45Å; F646-M657 HydrophobicContact CD2-CE 4.46Å; F646-M657 HydrophobicContact CE2-CE 3.47Å; F646-M657 VanDerWaalsContact CE2-CE 3.47Å; F646-M657 HydrophobicContact CZ-CE 3.78Å; F646-A664 HydrophobicContact CE1-CB 4.44Å; F646-A664 HydrophobicContact CE2-CB 4.26Å; F646-A664 HydrophobicContact CZ-CB 3.59Å; F646-L668 HydrophobicContact CE1-CD1 4.06Å; F646-A688 HydrophobicContact CD1-CB 3.68Å; F646-A688 HydrophobicContact CE1-CB 4.27Å; F646-L692 HydrophobicContact CE1-CD1 3.47Å; F646-L692 VanDerWaalsContact CE1-CD1 3.47Å; F646-L692 HydrophobicContact CE2-CD1 4.5Å; F646-L692 HydrophobicContact CZ-CD1 3.26Å |
| 647 | A | 80.5 | Confident | 81.4 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58 | -43.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A643 R644 V650 S651 A688 E691 | A643-A647 PolarHBondContact O-N 3.19Å; R644-A647 WeakPolarHBondContact O-CB 3.5Å; R644-A647 PolarHBondContact O-N 2.78Å; R644-A647 VanDerWaalsContact O-N 3.15Å; A647-V650 PolarHBondContact O-N 2.9Å; A647-S651 PolarHBondContact O-N 3.5Å; A647-A688 HydrophobicContact CB-CB 4.18Å; A647-E691 HydrophobicContact CB-CG 4.41Å |
| 648 | Q | 82.8 | Confident | 81.4 | Confident | 24 Ų | 24 | 31.6 Ų | 31.6 | 11% | 0.112 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.2 | -33.6 | 177.3 | -61.3 | -64.8 | 4.8 | 0 | 0 | 113.6 | E598 I602 R644 F646 V650 S651 S652 | E598-Q648 HydrophobicContact CG-CB 4.33Å; E598-Q648 HydrophobicContact CG-CG 3.72Å; E598-Q648 WeakPolarHBondContact OE1-CG 3.41Å; E598-Q648 PolarHBondContact OE1-NE2 3.28Å; I602-Q648 HydrophobicContact CD1-CB 4.42Å; I602-Q648 HydrophobicContact CD1-CG 4.46Å; I602-Q648 HydrophobicContact CG1-CB 4.06Å; R644-Q648 WeakPolarHBondContact O-CG 3.36Å; R644-Q648 PolarHBondContact O-N 3.42Å; R644-Q648 VanDerWaalsContact O-N 3.08Å; F646-Q648 VanDerWaalsContact C-N 3.31Å; F646-Q648 PolarHBondContact O-N 2.88Å; Q648-V650 VanDerWaalsContact C-N 3.28Å; Q648-V650 PolarHBondContact O-N 2.8Å; Q648-S651 WeakPolarHBondContact CA-OG 3.41Å; Q648-S651 PolarHBondContact O-N 3.16Å; Q648-S651 PolarHBondContact O-OG 3.05Å; Q648-S651 PolarHBondContact OE1-OG 3.35Å; Q648-S652 VanDerWaalsContact O-CB 3.32Å; Q648-S652 WeakPolarHBondContact O-CB 3.29Å; Q648-S652 PolarHBondContact O-N 2.94Å; Q648-S652 PolarHBondContact O-OG 3.43Å |
| 649 | L | 84.3 | Confident | 81.5 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.5 | -40 | 172.2 | -178.8 | 68.4 | 0 | 0 | 0 | 111.1 | V601 L619 L623 L645 F646 S652 A653 F656 M657 | V601-L649 HydrophobicContact CG1-CB 3.9Å; V601-L649 HydrophobicContact CG1-CD1 3.88Å; L619-L649 HydrophobicContact CD1-CD1 4.36Å; L619-L649 HydrophobicContact CD2-CD1 3.74Å; L619-L649 HydrophobicContact CG-CD1 4.47Å; L623-L649 HydrophobicContact CB-CD2 4.25Å; L623-L649 HydrophobicContact CD1-CD2 4Å; L645-L649 WeakPolarHBondContact O-CB 3.42Å; L645-L649 PolarHBondContact O-N 3.2Å; F646-L649 WeakPolarHBondContact O-CB 3.48Å; F646-L649 PolarHBondContact O-N 2.91Å; L649-S652 PolarHBondContact O-OG 3.42Å; L649-A653 PolarHBondContact O-N 3.21Å; L649-F656 HydrophobicContact CD2-CE1 4.5Å; L649-M657 HydrophobicContact CD2-SD 3.86Å; L649-M657 HydrophobicContact CG-SD 4.17Å |
| 650 | V | 81.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.1 | -43.8 | 178.1 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | F646 A647 Q648 M657 E691 L692 V695 | F646-V650 HydrophobicContact CD1-CG2 4.07Å; F646-V650 HydrophobicContact CE1-CG2 3.7Å; F646-V650 HydrophobicContact CE2-CG2 4.27Å; F646-V650 HydrophobicContact CZ-CG2 3.81Å; F646-V650 VanDerWaalsContact O-CG2 3.26Å; F646-V650 WeakPolarHBondContact O-CG2 3.06Å; F646-V650 PolarHBondContact O-N 3.45Å; A647-V650 PolarHBondContact O-N 2.9Å; Q648-V650 VanDerWaalsContact C-N 3.28Å; Q648-V650 PolarHBondContact O-N 2.8Å; V650-M657 HydrophobicContact CG2-CE 4.09Å; V650-M657 HydrophobicContact CG2-CG 4.08Å; V650-E691 HydrophobicContact CB-CB 4.26Å; V650-E691 VanDerWaalsContact CG1-C 3.48Å; V650-E691 HydrophobicContact CG1-CB 3.89Å; V650-E691 WeakPolarHBondContact CG1-O 3.44Å; V650-L692 HydrophobicContact CG1-CB 4.41Å; V650-L692 HydrophobicContact CG2-CD1 3.98Å; V650-V695 HydrophobicContact CG1-CG2 3.72Å |
| 651 | S | 78.9 | Confident | 81.4 | Confident | 52 Ų | 52 | 33.2 Ų | 33.2 | 36% | 0.364 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.4 | -39.6 | 179.5 | 70.9 | 0 | 0 | 0 | 0 | 112.4 | A647 Q648 | A647-S651 PolarHBondContact O-N 3.5Å; Q648-S651 WeakPolarHBondContact CA-OG 3.41Å; Q648-S651 PolarHBondContact O-N 3.16Å; Q648-S651 PolarHBondContact O-OG 3.05Å; Q648-S651 PolarHBondContact OE1-OG 3.35Å |
| 652 | S | 77.9 | Confident | 81.1 | Confident | 16 Ų | 16 | 35.6 Ų | 35.6 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -81.2 | -33.4 | -177.5 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | G605 Q648 L649 P654 | G605-S652 CarbonylContact C-O 3.46Å; Q648-S652 VanDerWaalsContact O-CB 3.32Å; Q648-S652 WeakPolarHBondContact O-CB 3.29Å; Q648-S652 PolarHBondContact O-N 2.94Å; Q648-S652 PolarHBondContact O-OG 3.43Å; L649-S652 PolarHBondContact O-OG 3.42Å; S652-P654 VanDerWaalsContact C-CD 3.5Å |
| 653 | A | 80.1 | Confident | 80.9 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | trans | -129 | 61.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L649 K655 F656 M657 | L649-A653 PolarHBondContact O-N 3.21Å; A653-K655 PolarHBondContact O-N 2.89Å; A653-F656 HydrophobicContact CB-CB 4.19Å; A653-F656 PolarHBondContact O-N 3.01Å; A653-M657 PolarHBondContact O-N 3.36Å | ||
| 654 | P | 76.2 | Confident | 80.8 | Confident | 56 Ų | 56 | 38.5 Ų | 38.5 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.1 | -33.9 | -172.5 | 23.7 | -34 | 0 | 0 | 0 | 113.9 | S652 F656 M657 K658 V695 | S652-P654 VanDerWaalsContact C-CD 3.5Å; P654-F656 VanDerWaalsContact C-N 3.35Å; P654-F656 PolarHBondContact O-N 3.32Å; P654-M657 PolarHBondContact O-N 3.46Å; P654-K658 PolarHBondContact O-N 3.09Å; P654-V695 HydrophobicContact CB-CG1 4.14Å; P654-V695 HydrophobicContact CB-CG2 3.67Å; P654-V695 WeakPolarHBondContact O-CG1 3.44Å |
| 655 | K | 77 | Confident | 80.4 | Confident | 133 Ų | 133 | 36.1 Ų | 36.1 | 58% | 0.578 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -66.6 | -36 | 178 | -67.1 | -176.8 | -161.5 | 141.2 | 0 | 112.7 | D609 A653 | D609-K655 WeakPolarHBondContact OD1-CD 3.41Å; D609-K655 IonicContact OD1-NZ 3.55Å; D609-K655 PolarHBondContact OD1-NZ 2.85Å; D609-K655 IonicContact OD2-NZ 2.95Å; D609-K655 PolarHBondContact OD2-NZ 3.49Å; A653-K655 PolarHBondContact O-N 2.89Å |
| 656 | F | 83.3 | Confident | 80 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 8% | 0.083 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.6 | -35.9 | 179.4 | 165.6 | -102.1 | 0 | 0 | 0 | 112 | V616 L619 R620 L623 L649 A653 P654 P659 Y660 | V616-F656 HydrophobicContact CG1-CD2 3.98Å; V616-F656 HydrophobicContact CG1-CE2 3.87Å; V616-F656 HydrophobicContact CG2-CD2 4.44Å; L619-F656 HydrophobicContact CB-CD1 4.41Å; L619-F656 HydrophobicContact CB-CE1 3.92Å; L619-F656 HydrophobicContact CB-CE2 4.42Å; L619-F656 HydrophobicContact CB-CZ 3.93Å; L619-F656 HydrophobicContact CD1-CD1 4.5Å; R620-F656 HydrophobicContact CB-CE2 4.3Å; R620-F656 HydrophobicContact CB-CZ 4.11Å; L623-F656 HydrophobicContact CD2-CE1 4.19Å; L623-F656 HydrophobicContact CD2-CZ 4.29Å; L649-F656 HydrophobicContact CD2-CE1 4.5Å; A653-F656 HydrophobicContact CB-CB 4.19Å; A653-F656 PolarHBondContact O-N 3.01Å; P654-F656 VanDerWaalsContact C-N 3.35Å; P654-F656 PolarHBondContact O-N 3.32Å; F656-P659 VanDerWaalsContact O-CD 3.29Å; F656-P659 WeakPolarHBondContact O-CD 3.36Å; F656-Y660 HydrophobicContact CD2-CE2 4.42Å; F656-Y660 HydrophobicContact CE1-CE2 4.43Å; F656-Y660 AromaticContact CE2-CE2 3.82Å; F656-Y660 HydrophobicContact CE2-CE2 3.82Å; F656-Y660 HydrophobicContact CZ-CD2 4.39Å; F656-Y660 AromaticContact CZ-CE2 3.81Å; F656-Y660 HydrophobicContact CZ-CE2 3.81Å; F656-Y660 WeakPolarHBondContact O-CD2 3.25Å |
| 657 | M | 84 | Confident | 79.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -77 | -21.7 | -177.1 | -74.7 | -54.3 | -59 | 0 | 0 | 114.8 | L623 F646 L649 V650 A653 P654 Y660 T661 V695 | L623-M657 HydrophobicContact CD1-CE 3.76Å; L623-M657 HydrophobicContact CD1-SD 3.99Å; L623-M657 HydrophobicContact CD2-CE 4.15Å; L623-M657 HydrophobicContact CD2-SD 3.93Å; F646-M657 HydrophobicContact CD2-CE 4.46Å; F646-M657 HydrophobicContact CE2-CE 3.47Å; F646-M657 VanDerWaalsContact CE2-CE 3.47Å; F646-M657 HydrophobicContact CZ-CE 3.78Å; L649-M657 HydrophobicContact CD2-SD 3.86Å; L649-M657 HydrophobicContact CG-SD 4.17Å; V650-M657 HydrophobicContact CG2-CE 4.09Å; V650-M657 HydrophobicContact CG2-CG 4.08Å; A653-M657 PolarHBondContact O-N 3.36Å; P654-M657 PolarHBondContact O-N 3.46Å; M657-Y660 PolarHBondContact O-N 3.45Å; M657-T661 PolarHBondContact O-N 2.97Å; M657-T661 PolarHBondContact O-OG1 2.82Å; M657-T661 VanDerWaalsContact O-OG1 3.11Å; M657-V695 HydrophobicContact CB-CG1 4.45Å |
| 658 | K | 79.1 | Confident | 79.3 | Confident | 113 Ų | 113 | 41.5 Ų | 41.5 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -40.7 | -176.5 | -166 | 174.1 | -178.1 | 178.7 | 0 | 116.4 | P654 T661 V695 | P654-K658 PolarHBondContact O-N 3.09Å; K658-T661 WeakPolarHBondContact CA-OG1 3.4Å; K658-T661 PolarHBondContact O-OG1 3.24Å; K658-V695 HydrophobicContact CB-CG1 4.41Å |
| 659 | P | 82.5 | Confident | 78.8 | Confident | 98 Ų | 98 | 41.4 Ų | 41.4 | 64% | 0.636 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -18.9 | 175.4 | 27.1 | -34 | 0 | 0 | 0 | 114.4 | F656 | F656-P659 VanDerWaalsContact O-CD 3.29Å; F656-P659 WeakPolarHBondContact O-CD 3.36Å |
| 660 | Y | 83.1 | Confident | 78.3 | Confident | 40 Ų | 40 | 44.3 Ų | 44.3 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -0.8 | -177.1 | -56.7 | -69.2 | 0 | 0 | 0 | 113.7 | R620 L623 F656 M657 Q662 T663 A664 | R620-Y660 WeakPolarHBondContact CD-OH 3.37Å; R620-Y660 VanDerWaalsContact CZ-OH 3.32Å; R620-Y660 PolarHBondContact NH1-OH 3.32Å; L623-Y660 HydrophobicContact CD2-CD1 4.11Å; L623-Y660 HydrophobicContact CD2-CD2 3.52Å; L623-Y660 HydrophobicContact CD2-CE2 4.03Å; L623-Y660 HydrophobicContact CD2-CG 3.57Å; F656-Y660 HydrophobicContact CD2-CE2 4.42Å; F656-Y660 HydrophobicContact CE1-CE2 4.43Å; F656-Y660 AromaticContact CE2-CE2 3.82Å; F656-Y660 HydrophobicContact CE2-CE2 3.82Å; F656-Y660 HydrophobicContact CZ-CD2 4.39Å; F656-Y660 AromaticContact CZ-CE2 3.81Å; F656-Y660 HydrophobicContact CZ-CE2 3.81Å; F656-Y660 WeakPolarHBondContact O-CD2 3.25Å; M657-Y660 PolarHBondContact O-N 3.45Å; Y660-Q662 VanDerWaalsContact C-N 3.33Å; Y660-Q662 PolarHBondContact O-N 3.36Å; Y660-T663 PolarHBondContact O-N 3.33Å; Y660-A664 PolarHBondContact O-N 3.21Å |
| 661 | T | 75.8 | Confident | 77.6 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.043 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -38.9 | -172.7 | -46 | 0 | 0 | 0 | 0 | 112.8 | M657 K658 A664 F665 L692 | M657-T661 PolarHBondContact O-N 2.97Å; M657-T661 PolarHBondContact O-OG1 2.82Å; M657-T661 VanDerWaalsContact O-OG1 3.11Å; K658-T661 WeakPolarHBondContact CA-OG1 3.4Å; K658-T661 PolarHBondContact O-OG1 3.24Å; T661-A664 PolarHBondContact O-N 3.31Å; T661-F665 HydrophobicContact CG2-CD2 4.18Å; T661-F665 HydrophobicContact CG2-CE2 3.92Å; T661-F665 VanDerWaalsContact O-CD2 3.27Å; T661-F665 WeakPolarHBondContact O-CD2 3.08Å; T661-F665 PolarHBondContact O-N 3.44Å; T661-L692 HydrophobicContact CG2-CD2 3.56Å; T661-L692 HydrophobicContact CG2-CG 3.92Å |
| 662 | Q | 76.5 | Confident | 77 | Confident | 100 Ų | 100 | 43.7 Ų | 43.7 | 47% | 0.467 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.9 | -51.3 | 177 | 168.4 | 167.4 | 4.1 | 0 | 0 | 111.6 | Y660 A664 F665 E666 F700 | Y660-Q662 VanDerWaalsContact C-N 3.33Å; Y660-Q662 PolarHBondContact O-N 3.36Å; Q662-A664 VanDerWaalsContact C-N 3.26Å; Q662-A664 PolarHBondContact O-N 3.35Å; Q662-F665 PolarHBondContact O-N 3.5Å; Q662-F665 VanDerWaalsContact O-N 3.13Å; Q662-E666 WeakPolarHBondContact CG-OE1 3.34Å; Q662-E666 PolarHBondContact NE2-OE1 2.83Å; Q662-E666 PolarHBondContact O-N 2.91Å; Q662-E666 VanDerWaalsContact O-N 3.11Å; Q662-F700 HydrophobicContact CB-CE1 4.24Å; Q662-F700 HydrophobicContact CB-CE2 4.01Å; Q662-F700 HydrophobicContact CB-CZ 3.69Å; Q662-F700 HydrophobicContact CG-CE1 4.48Å; Q662-F700 HydrophobicContact CG-CE2 3.9Å; Q662-F700 HydrophobicContact CG-CZ 3.56Å |
| 663 | T | 80.3 | Confident | 76.2 | Confident | 64 Ų | 64 | 47.5 Ų | 47.5 | 39% | 0.393 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.5 | -36.9 | -179.6 | -47.3 | 0 | 0 | 0 | 0 | 111.6 | F627 Y660 E666 I667 | F627-T663 HydrophobicContact CE2-CG2 4.21Å; Y660-T663 PolarHBondContact O-N 3.33Å; T663-E666 PolarHBondContact O-N 3.45Å; T663-I667 HydrophobicContact CG2-CD1 4.25Å; T663-I667 WeakPolarHBondContact O-CG1 3.49Å; T663-I667 PolarHBondContact O-N 2.95Å |
| 664 | A | 78.9 | Confident | 75.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F627 F646 Y660 T661 Q662 I667 L668 L692 | F627-A664 HydrophobicContact CE1-CB 4.14Å; F627-A664 HydrophobicContact CZ-CB 3.91Å; F646-A664 HydrophobicContact CE1-CB 4.44Å; F646-A664 HydrophobicContact CE2-CB 4.26Å; F646-A664 HydrophobicContact CZ-CB 3.59Å; Y660-A664 PolarHBondContact O-N 3.21Å; T661-A664 PolarHBondContact O-N 3.31Å; Q662-A664 VanDerWaalsContact C-N 3.26Å; Q662-A664 PolarHBondContact O-N 3.35Å; A664-I667 PolarHBondContact O-N 3.12Å; A664-L668 WeakPolarHBondContact O-CB 3.44Å; A664-L668 VanDerWaalsContact O-CG 3.25Å; A664-L668 WeakPolarHBondContact O-CG 3.34Å; A664-L668 PolarHBondContact O-N 2.55Å; A664-L692 HydrophobicContact CB-CD1 3.74Å; A664-L692 HydrophobicContact CB-CD2 4.25Å |
| 665 | F | 75.4 | Confident | 74.4 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 177.3 | -83.8 | -60.5 | 0 | 0 | 0 | 112.8 | T661 Q662 I667 L668 I669 I689 L692 F700 L701 | T661-F665 HydrophobicContact CG2-CD2 4.18Å; T661-F665 HydrophobicContact CG2-CE2 3.92Å; T661-F665 VanDerWaalsContact O-CD2 3.27Å; T661-F665 WeakPolarHBondContact O-CD2 3.08Å; T661-F665 PolarHBondContact O-N 3.44Å; Q662-F665 PolarHBondContact O-N 3.5Å; Q662-F665 VanDerWaalsContact O-N 3.13Å; F665-I667 PolarHBondContact O-N 3.46Å; F665-L668 PolarHBondContact O-N 2.98Å; F665-I669 HydrophobicContact CB-CD1 4.25Å; F665-I669 HydrophobicContact CD1-CD1 4.11Å; F665-I669 HydrophobicContact CD1-CG1 4.49Å; F665-I669 WeakPolarHBondContact O-CB 3.44Å; F665-I669 WeakPolarHBondContact O-CG1 3.38Å; F665-I669 PolarHBondContact O-N 3.41Å; F665-I669 VanDerWaalsContact O-N 3.15Å; F665-I689 HydrophobicContact CE1-CG2 4.16Å; F665-L692 HydrophobicContact CD1-CD2 4.17Å; F665-L692 HydrophobicContact CD2-CD2 3.58Å; F665-L692 HydrophobicContact CE1-CD2 3.88Å; F665-L692 HydrophobicContact CE2-CD2 3.28Å; F665-L692 HydrophobicContact CG-CD2 4.03Å; F665-L692 HydrophobicContact CZ-CD2 3.43Å; F665-L692 VanDerWaalsContact CZ-CD2 3.43Å; F665-F700 HydrophobicContact CB-CE1 4.42Å; F665-F700 HydrophobicContact CD2-CD1 4.09Å; F665-F700 AromaticContact CD2-CE1 3.8Å; F665-F700 HydrophobicContact CD2-CE1 3.8Å; F665-F700 HydrophobicContact CE2-CD1 4.4Å; F665-F700 HydrophobicContact CG-CE1 4.47Å; F665-L701 HydrophobicContact CE2-CD2 4.21Å; F665-L701 HydrophobicContact CZ-CD2 3.7Å |
| 666 | E | 74.8 | Confident | 73.3 | Confident | 113 Ų | 113 | 59 Ų | 59 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -26.1 | 177.7 | -71.3 | 170.3 | -171.9 | 0 | 0 | 112.6 | Q662 T663 P670 | Q662-E666 WeakPolarHBondContact CG-OE1 3.34Å; Q662-E666 PolarHBondContact NE2-OE1 2.83Å; Q662-E666 PolarHBondContact O-N 2.91Å; Q662-E666 VanDerWaalsContact O-N 3.11Å; T663-E666 PolarHBondContact O-N 3.45Å; E666-P670 WeakPolarHBondContact O-CD 3.42Å; E666-P670 VanDerWaalsContact O-CG 3.32Å; E666-P670 WeakPolarHBondContact O-CG 3.32Å |
| 667 | I | 76.5 | Confident | 72.1 | Confident | 19 Ų | 19 | 59.3 Ų | 59.3 | 10% | 0.097 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -85.8 | -46.1 | 177.3 | -67 | 170.4 | 0 | 0 | 0 | 111.9 | F627 M630 N631 T663 A664 F665 | F627-I667 HydrophobicContact CB-CD1 3.9Å; F627-I667 HydrophobicContact CD1-CD1 3.96Å; F627-I667 HydrophobicContact CD2-CD1 3.93Å; F627-I667 HydrophobicContact CE1-CD1 4.4Å; F627-I667 HydrophobicContact CE2-CD1 4.4Å; F627-I667 HydrophobicContact CG-CD1 3.68Å; M630-I667 HydrophobicContact CB-CG2 4.38Å; M630-I667 HydrophobicContact CE-CG2 4.33Å; N631-I667 WeakPolarHBondContact OD1-CG2 3.47Å; T663-I667 HydrophobicContact CG2-CD1 4.25Å; T663-I667 WeakPolarHBondContact O-CG1 3.49Å; T663-I667 PolarHBondContact O-N 2.95Å; A664-I667 PolarHBondContact O-N 3.12Å; F665-I667 PolarHBondContact O-N 3.46Å |
| 668 | L | 75.5 | Confident | 70.9 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74 | -39.1 | -171.1 | -68.3 | 168.2 | 0 | 0 | 0 | 113 | M630 F646 A664 F665 K671 L672 F685 I689 | M630-L668 HydrophobicContact CE-CD2 4.49Å; M630-L668 HydrophobicContact SD-CD2 4.03Å; F646-L668 HydrophobicContact CE1-CD1 4.06Å; A664-L668 WeakPolarHBondContact O-CB 3.44Å; A664-L668 VanDerWaalsContact O-CG 3.25Å; A664-L668 WeakPolarHBondContact O-CG 3.34Å; A664-L668 PolarHBondContact O-N 2.55Å; F665-L668 PolarHBondContact O-N 2.98Å; L668-K671 PolarHBondContact O-N 2.74Å; L668-L672 PolarHBondContact O-N 3.28Å; L668-F685 HydrophobicContact CD2-CB 4.47Å; L668-F685 HydrophobicContact CD2-CD1 3.2Å; L668-F685 HydrophobicContact CD2-CE1 3.62Å; L668-F685 HydrophobicContact CD2-CG 4.12Å; L668-I689 HydrophobicContact CB-CD1 4.1Å; L668-I689 HydrophobicContact CB-CG1 4.21Å; L668-I689 HydrophobicContact CD1-CG1 3.91Å |
| 669 | I | 72.9 | Confident | 70.2 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.1 | -49 | -173.8 | -68.9 | 171.8 | 0 | 0 | 0 | 112.8 | F665 K671 L672 G708 | F665-I669 HydrophobicContact CB-CD1 4.25Å; F665-I669 HydrophobicContact CD1-CD1 4.11Å; F665-I669 HydrophobicContact CD1-CG1 4.49Å; F665-I669 WeakPolarHBondContact O-CB 3.44Å; F665-I669 WeakPolarHBondContact O-CG1 3.38Å; F665-I669 PolarHBondContact O-N 3.41Å; F665-I669 VanDerWaalsContact O-N 3.15Å; I669-K671 PolarHBondContact O-N 2.89Å; I669-L672 PolarHBondContact O-N 3.5Å; I669-G708 VanDerWaalsContact CG2-CA 3.46Å |
| 670 | P | 73.1 | Confident | 69.3 | Low | 64 Ų | 64 | 60 Ų | 60 | 42% | 0.416 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.5 | -28.5 | -179.3 | -22.7 | 34.7 | 0 | 0 | 0 | 113.4 | E666 Q673 | E666-P670 WeakPolarHBondContact O-CD 3.42Å; E666-P670 VanDerWaalsContact O-CG 3.32Å; E666-P670 WeakPolarHBondContact O-CG 3.32Å; P670-Q673 PolarHBondContact O-N 3.02Å |
| 671 | K | 68.6 | Low | 68.7 | Low | 36 Ų | 36 | 58.2 Ų | 58.2 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.3 | -34.5 | 178.2 | -74.8 | -78.4 | -174.3 | 158.3 | 0 | 112.2 | M630 N631 E639 L668 I669 Q673 N674 F685 | M630-K671 WeakPolarHBondContact O-CE 3.45Å; M630-K671 PolarHBondContact O-NZ 3.34Å; M630-K671 VanDerWaalsContact O-NZ 3.16Å; N631-K671 PolarHBondContact O-NZ 3.3Å; N631-K671 VanDerWaalsContact O-NZ 3.12Å; E639-K671 IonicContact OE1-NZ 2.7Å; E639-K671 PolarHBondContact OE1-NZ 2.84Å; L668-K671 PolarHBondContact O-N 2.74Å; I669-K671 PolarHBondContact O-N 2.89Å; K671-Q673 VanDerWaalsContact C-N 3.26Å; K671-Q673 PolarHBondContact O-N 3.32Å; K671-N674 PolarHBondContact O-N 3.29Å; K671-F685 HydrophobicContact CB-CE2 4.12Å; K671-F685 HydrophobicContact CB-CZ 4.44Å |
| 672 | L | 65 | Low | 68.5 | Low | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.3 | -34.1 | 172.8 | -68.9 | 170.5 | 0 | 0 | 0 | 112 | L668 I669 N674 I682 F685 L686 I689 F709 F712 | L668-L672 PolarHBondContact O-N 3.28Å; I669-L672 PolarHBondContact O-N 3.5Å; L672-N674 VanDerWaalsContact C-N 3.26Å; L672-N674 PolarHBondContact O-N 3.43Å; L672-I682 HydrophobicContact CD2-CG2 3.87Å; L672-F685 HydrophobicContact CD2-CB 4.1Å; L672-L686 HydrophobicContact CD1-CD2 4.3Å; L672-L686 HydrophobicContact CD2-CD2 4.31Å; L672-L686 HydrophobicContact CD2-CG 4.29Å; L672-I689 HydrophobicContact CD1-CD1 3.53Å; L672-F709 HydrophobicContact CD1-CD2 4.5Å; L672-F709 HydrophobicContact CD1-CE2 3.9Å; L672-F712 HydrophobicContact CB-CD2 4.21Å; L672-F712 HydrophobicContact CB-CE2 4.19Å; L672-F712 HydrophobicContact CB-CG 4.44Å; L672-F712 HydrophobicContact CB-CZ 4.36Å; L672-F712 WeakPolarHBondContact O-CD2 3.32Å; L672-F712 WeakPolarHBondContact O-CE2 3.46Å |
| 673 | Q | 62.6 | Low | 68.1 | Low | 95 Ų | 95 | 54.7 Ų | 54.7 | 44% | 0.444 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -8.7 | -178.6 | -64.8 | 178.1 | -14.7 | 0 | 0 | 114.4 | P670 K671 V675 F712 | P670-Q673 PolarHBondContact O-N 3.02Å; K671-Q673 VanDerWaalsContact C-N 3.26Å; K671-Q673 PolarHBondContact O-N 3.32Å; Q673-V675 PolarHBondContact O-N 2.89Å; Q673-F712 HydrophobicContact CG-CB 4.37Å; Q673-F712 HydrophobicContact CG-CD2 4.27Å |
| 674 | N | 65.4 | Low | 67.8 | Low | 89 Ų | 89 | 51.8 Ų | 51.8 | 48% | 0.476 | 26% | 0.261 | S | S | . | . | trans | -81.4 | 120.7 | -178.5 | -79.4 | -45.4 | 0 | 0 | 0 | 112.3 | K671 L672 R676 T677 | K671-N674 PolarHBondContact O-N 3.29Å; L672-N674 VanDerWaalsContact C-N 3.26Å; L672-N674 PolarHBondContact O-N 3.43Å; N674-R676 PolarHBondContact O-N 3.12Å; N674-T677 PolarHBondContact O-N 3.33Å; N674-T677 PolarHBondContact O-OG1 3.26Å | ||
| 675 | V | 51.6 | Low | 67.7 | Low | 102 Ų | 102 | 51.8 Ų | 51.8 | 62% | 0.618 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -7.7 | -176 | -170.9 | 0 | 0 | 0 | 0 | 114 | Q673 | Q673-V675 PolarHBondContact O-N 2.89Š|
| 676 | R | 54.1 | Low | 67.6 | Low | 244 Ų | 244 | 52.2 Ų | 52.2 | 92% | 0.921 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 1.3 | -174.5 | -66.4 | -172.3 | 179.3 | -170.1 | 0.2 | 114.6 | N674 | N674-R676 PolarHBondContact O-N 3.12Š|
| 677 | T | 58.1 | Low | 67.6 | Low | 27 Ų | 27 | 50 Ų | 50 | 17% | 0.166 | 25% | 0.25 | C | S | . | . | trans | -83.9 | 134.6 | -171.6 | -21.2 | 0 | 0 | 0 | 0 | 110.6 | N674 V681 | N674-T677 PolarHBondContact O-N 3.33Å; N674-T677 PolarHBondContact O-OG1 3.26Å; T677-V681 HydrophobicContact CG2-CB 4.32Å; T677-V681 HydrophobicContact CG2-CG1 4.21Å | ||
| 678 | Q | 59.8 | Low | 67.6 | Low | 111 Ų | 111 | 49.1 Ų | 49.1 | 52% | 0.519 | 25% | 0.246 | S | C | . | . | trans | -70.2 | 149.2 | -179.9 | -70.3 | -176.4 | -39.9 | 0 | 0 | 111.8 | S636 D680 V681 I682 | S636-Q678 PolarHBondContact OG-OE1 3.2Å; Q678-D680 PolarHBondContact O-N 2.97Å; Q678-V681 HydrophobicContact CB-CG2 4.21Å; Q678-V681 WeakPolarHBondContact O-CB 3.34Å; Q678-V681 PolarHBondContact O-N 2.81Å; Q678-I682 PolarHBondContact O-N 3.37Å | ||
| 679 | G | 62.7 | Low | 67.7 | Low | 26 Ų | 26 | 49.1 Ų | 49.1 | 27% | 0.268 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -53.7 | -48.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V681 I682 V683 | G679-V681 PolarHBondContact O-N 2.97Å; G679-V681 VanDerWaalsContact O-N 3.13Å; G679-I682 WeakPolarHBondContact O-CA 3.37Å; G679-I682 WeakPolarHBondContact O-CB 3.38Å; G679-I682 PolarHBondContact O-N 3.4Å; G679-V683 PolarHBondContact O-N 2.96Å |
| 680 | D | 64.5 | Low | 67.7 | Low | 88 Ų | 88 | 48 Ų | 48 | 47% | 0.471 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.1 | -34.2 | -179.7 | -57.6 | -45.5 | 0 | 0 | 0 | 113.7 | E640 Q678 S684 | E640-D680 HydrophobicContact CG-CB 4.5Å; Q678-D680 PolarHBondContact O-N 2.97Å; D680-S684 WeakPolarHBondContact O-CB 3.48Å; D680-S684 PolarHBondContact O-N 3.31Å; D680-S684 VanDerWaalsContact O-N 3.1Å; D680-S684 PolarHBondContact O-OG 2.84Å |
| 681 | V | 71.2 | Confident | 67.9 | Low | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.2 | -43 | 178.3 | -170.3 | 0 | 0 | 0 | 0 | 110 | S636 E639 E640 T677 Q678 G679 S684 F685 | S636-V681 WeakPolarHBondContact O-CG2 3.37Å; E639-V681 HydrophobicContact CB-CG1 3.7Å; E640-V681 HydrophobicContact CB-CG2 4.22Å; T677-V681 HydrophobicContact CG2-CB 4.32Å; T677-V681 HydrophobicContact CG2-CG1 4.21Å; Q678-V681 HydrophobicContact CB-CG2 4.21Å; Q678-V681 WeakPolarHBondContact O-CB 3.34Å; Q678-V681 PolarHBondContact O-N 2.81Å; G679-V681 PolarHBondContact O-N 2.97Å; G679-V681 VanDerWaalsContact O-N 3.13Å; V681-S684 PolarHBondContact O-N 2.85Å; V681-F685 HydrophobicContact CG1-CD2 3.74Å; V681-F685 HydrophobicContact CG1-CE2 3.36Å; V681-F685 HydrophobicContact CG1-CZ 4.08Å; V681-F685 WeakPolarHBondContact O-CB 3.45Å; V681-F685 VanDerWaalsContact O-CD2 3.24Å; V681-F685 WeakPolarHBondContact O-CD2 3.39Å; V681-F685 WeakPolarHBondContact O-CG 3.49Å; V681-F685 PolarHBondContact O-N 3.4Å |
| 682 | I | 70.3 | Confident | 68.4 | Low | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.036 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | 177.3 | -65.3 | 172.2 | 0 | 0 | 0 | 109.8 | L672 Q678 G679 S684 F685 L686 Y726 | L672-I682 HydrophobicContact CD2-CG2 3.87Å; Q678-I682 PolarHBondContact O-N 3.37Å; G679-I682 WeakPolarHBondContact O-CA 3.37Å; G679-I682 WeakPolarHBondContact O-CB 3.38Å; G679-I682 PolarHBondContact O-N 3.4Å; I682-S684 VanDerWaalsContact C-N 3.33Å; I682-S684 PolarHBondContact O-N 3.31Å; I682-F685 CarbonylContact O-C 3.58Å; I682-F685 PolarHBondContact O-N 2.66Å; I682-L686 HydrophobicContact CG2-CD1 3.74Å; I682-L686 HydrophobicContact CG2-CG 4.16Å; I682-L686 WeakPolarHBondContact O-CB 3.09Å; I682-L686 VanDerWaalsContact O-CG 3.27Å; I682-L686 WeakPolarHBondContact O-CG 3.5Å; I682-L686 PolarHBondContact O-N 3.5Å; I682-Y726 HydrophobicContact CD1-CE1 3.64Å |
| 683 | V | 69.6 | Low | 68.7 | Low | 26 Ų | 26 | 45.6 Ų | 45.6 | 16% | 0.158 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.2 | -47.6 | 175.6 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | G679 F685 L686 R687 D733 A736 | G679-V683 PolarHBondContact O-N 2.96Å; V683-F685 VanDerWaalsContact C-N 3.32Å; V683-F685 PolarHBondContact O-N 3.48Å; V683-L686 PolarHBondContact O-N 3.43Å; V683-R687 WeakPolarHBondContact O-CB 3.31Å; V683-R687 PolarHBondContact O-N 3.41Å; V683-D733 HydrophobicContact CG2-CB 3.4Å; V683-D733 WeakPolarHBondContact CG2-OD1 3.17Å; V683-A736 HydrophobicContact CG1-CB 3.7Å |
| 684 | S | 73.7 | Confident | 68.9 | Low | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -37.5 | -179.6 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | E640 D680 V681 I682 A688 | E640-S684 VanDerWaalsContact CG-OG 3.3Å; E640-S684 WeakPolarHBondContact CG-OG 3.21Å; D680-S684 WeakPolarHBondContact O-CB 3.48Å; D680-S684 PolarHBondContact O-N 3.31Å; D680-S684 VanDerWaalsContact O-N 3.1Å; D680-S684 PolarHBondContact O-OG 2.84Å; V681-S684 PolarHBondContact O-N 2.85Å; I682-S684 VanDerWaalsContact C-N 3.33Å; I682-S684 PolarHBondContact O-N 3.31Å; S684-A688 WeakPolarHBondContact O-CB 3.33Å; S684-A688 PolarHBondContact O-N 3.22Å |
| 685 | F | 76.9 | Confident | 69 | Low | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67 | -42.4 | 171.7 | -75.4 | -43.2 | 0 | 0 | 0 | 113.1 | M630 E639 A643 L668 K671 L672 V681 I682 V683 R687 A688 I689 | M630-F685 HydrophobicContact CB-CE1 4.29Å; M630-F685 HydrophobicContact CG-CE1 3.9Å; M630-F685 HydrophobicContact CG-CZ 4.43Å; M630-F685 HydrophobicContact SD-CD1 4.33Å; M630-F685 HydrophobicContact SD-CE1 3.65Å; E639-F685 HydrophobicContact CB-CZ 4.19Å; A643-F685 HydrophobicContact CB-CD1 3.45Å; A643-F685 VanDerWaalsContact CB-CD1 3.45Å; A643-F685 HydrophobicContact CB-CE1 3.74Å; A643-F685 HydrophobicContact CB-CG 4.22Å; L668-F685 HydrophobicContact CD2-CB 4.47Å; L668-F685 HydrophobicContact CD2-CD1 3.2Å; L668-F685 HydrophobicContact CD2-CE1 3.62Å; L668-F685 HydrophobicContact CD2-CG 4.12Å; K671-F685 HydrophobicContact CB-CE2 4.12Å; K671-F685 HydrophobicContact CB-CZ 4.44Å; L672-F685 HydrophobicContact CD2-CB 4.1Å; V681-F685 HydrophobicContact CG1-CD2 3.74Å; V681-F685 HydrophobicContact CG1-CE2 3.36Å; V681-F685 HydrophobicContact CG1-CZ 4.08Å; V681-F685 WeakPolarHBondContact O-CB 3.45Å; V681-F685 VanDerWaalsContact O-CD2 3.24Å; V681-F685 WeakPolarHBondContact O-CD2 3.39Å; V681-F685 WeakPolarHBondContact O-CG 3.49Å; V681-F685 PolarHBondContact O-N 3.4Å; I682-F685 CarbonylContact O-C 3.58Å; I682-F685 PolarHBondContact O-N 2.66Å; V683-F685 VanDerWaalsContact C-N 3.32Å; V683-F685 PolarHBondContact O-N 3.48Å; F685-R687 VanDerWaalsContact C-N 3.34Å; F685-R687 PolarHBondContact O-N 3.26Å; F685-A688 WeakPolarHBondContact O-CB 3.25Å; F685-A688 PolarHBondContact O-N 2.97Å; F685-I689 VanDerWaalsContact O-CG1 3.3Å; F685-I689 WeakPolarHBondContact O-CG1 3.27Å; F685-I689 PolarHBondContact O-N 2.97Å |
| 686 | L | 73 | Confident | 69.5 | Low | 16 Ų | 16 | 36 Ų | 36 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 177.3 | -73.7 | 171.1 | 0 | 0 | 0 | 110.9 | L672 I682 V683 I689 G690 F709 A737 A740 | L672-L686 HydrophobicContact CD1-CD2 4.3Å; L672-L686 HydrophobicContact CD2-CD2 4.31Å; L672-L686 HydrophobicContact CD2-CG 4.29Å; I682-L686 HydrophobicContact CG2-CD1 3.74Å; I682-L686 HydrophobicContact CG2-CG 4.16Å; I682-L686 WeakPolarHBondContact O-CB 3.09Å; I682-L686 VanDerWaalsContact O-CG 3.27Å; I682-L686 WeakPolarHBondContact O-CG 3.5Å; I682-L686 PolarHBondContact O-N 3.5Å; V683-L686 PolarHBondContact O-N 3.43Å; L686-I689 WeakPolarHBondContact O-CB 3.43Å; L686-I689 PolarHBondContact O-N 3.44Å; L686-I689 VanDerWaalsContact O-N 3.16Å; L686-G690 PolarHBondContact O-N 3.33Å; L686-F709 HydrophobicContact CD2-CE2 4.28Å; L686-F709 HydrophobicContact CD2-CZ 3.7Å; L686-A737 HydrophobicContact CD1-CB 3.76Å; L686-A740 HydrophobicContact CB-CB 4.17Å; L686-A740 WeakPolarHBondContact O-CB 3.35Å |
| 687 | R | 73.5 | Confident | 69.6 | Low | 67 Ų | 67 | 29.2 Ų | 29.2 | 25% | 0.253 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 174.7 | -174 | 169.4 | 177.9 | -176.7 | -8.6 | 112.1 | T261 V683 F685 I689 G690 E691 W739 | T261-R687 VanDerWaalsContact CG2-NH1 3.26Å; T261-R687 VanDerWaalsContact OG1-CZ 3.31Å; T261-R687 PolarHBondContact OG1-NH1 3.44Å; T261-R687 PolarHBondContact OG1-NH2 3.28Å; V683-R687 WeakPolarHBondContact O-CB 3.31Å; V683-R687 PolarHBondContact O-N 3.41Å; F685-R687 VanDerWaalsContact C-N 3.34Å; F685-R687 PolarHBondContact O-N 3.26Å; R687-I689 VanDerWaalsContact C-N 3.26Å; R687-I689 PolarHBondContact O-N 3.11Å; R687-G690 PolarHBondContact O-N 3.16Å; R687-E691 PolarHBondContact O-N 2.53Å; R687-W739 HydrophobicContact CG-CZ3 4.04Å |
| 688 | A | 76.4 | Confident | 69.5 | Low | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.4 | -42 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F646 A647 S684 F685 L692 | F646-A688 HydrophobicContact CD1-CB 3.68Å; F646-A688 HydrophobicContact CE1-CB 4.27Å; A647-A688 HydrophobicContact CB-CB 4.18Å; S684-A688 WeakPolarHBondContact O-CB 3.33Å; S684-A688 PolarHBondContact O-N 3.22Å; F685-A688 WeakPolarHBondContact O-CB 3.25Å; F685-A688 PolarHBondContact O-N 2.97Å; A688-L692 VanDerWaalsContact O-CB 3.23Å; A688-L692 WeakPolarHBondContact O-CB 3.33Å; A688-L692 PolarHBondContact O-N 2.76Å |
| 689 | I | 77.5 | Confident | 69.1 | Low | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.6 | -42.1 | 177 | -70 | 170.5 | 0 | 0 | 0 | 111.8 | F665 L668 L672 F685 L686 R687 L692 A693 F709 V744 | F665-I689 HydrophobicContact CE1-CG2 4.16Å; L668-I689 HydrophobicContact CB-CD1 4.1Å; L668-I689 HydrophobicContact CB-CG1 4.21Å; L668-I689 HydrophobicContact CD1-CG1 3.91Å; L672-I689 HydrophobicContact CD1-CD1 3.53Å; F685-I689 VanDerWaalsContact O-CG1 3.3Å; F685-I689 WeakPolarHBondContact O-CG1 3.27Å; F685-I689 PolarHBondContact O-N 2.97Å; L686-I689 WeakPolarHBondContact O-CB 3.43Å; L686-I689 PolarHBondContact O-N 3.44Å; L686-I689 VanDerWaalsContact O-N 3.16Å; R687-I689 VanDerWaalsContact C-N 3.26Å; R687-I689 PolarHBondContact O-N 3.11Å; I689-L692 PolarHBondContact O-N 3.2Å; I689-A693 WeakPolarHBondContact O-CB 3.25Å; I689-A693 PolarHBondContact O-N 3.06Å; I689-F709 HydrophobicContact CD1-CD2 4.43Å; I689-F709 HydrophobicContact CD1-CE2 3.62Å; I689-F709 HydrophobicContact CD1-CZ 4.5Å; I689-F709 HydrophobicContact CG2-CE2 3.85Å; I689-F709 HydrophobicContact CG2-CZ 4.16Å; I689-V744 HydrophobicContact CG2-CG2 4.13Å |
| 690 | G | 72.9 | Confident | 68.8 | Low | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.5 | -45.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L686 R687 A693 Q743 | L686-G690 PolarHBondContact O-N 3.33Å; R687-G690 PolarHBondContact O-N 3.16Å; G690-A693 PolarHBondContact O-N 2.91Å; G690-Q743 WeakPolarHBondContact O-CB 3.38Å |
| 691 | E | 78.5 | Confident | 68.3 | Low | 51 Ų | 51 | 27.9 Ų | 27.9 | 24% | 0.238 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 174.4 | -67.8 | -66.3 | 168 | 0 | 0 | 111.7 | A647 V650 R687 A693 G694 W739 | A647-E691 HydrophobicContact CB-CG 4.41Å; V650-E691 HydrophobicContact CB-CB 4.26Å; V650-E691 VanDerWaalsContact CG1-C 3.48Å; V650-E691 HydrophobicContact CG1-CB 3.89Å; V650-E691 WeakPolarHBondContact CG1-O 3.44Å; R687-E691 PolarHBondContact O-N 2.53Å; E691-A693 VanDerWaalsContact C-N 3.31Å; E691-A693 PolarHBondContact O-N 3.26Å; E691-G694 PolarHBondContact O-N 3.26Å; E691-W739 HydrophobicContact CG-CH2 3.99Å; E691-W739 WeakPolarHBondContact OE1-CH2 3.28Å |
| 692 | L | 78.1 | Confident | 67.5 | Low | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66 | -33.9 | -179.5 | -162.5 | 112.2 | 0 | 0 | 0 | 112.6 | F646 V650 T661 A664 F665 A688 I689 G694 V695 S696 | F646-L692 HydrophobicContact CE1-CD1 3.47Å; F646-L692 VanDerWaalsContact CE1-CD1 3.47Å; F646-L692 HydrophobicContact CE2-CD1 4.5Å; F646-L692 HydrophobicContact CZ-CD1 3.26Å; V650-L692 HydrophobicContact CG1-CB 4.41Å; V650-L692 HydrophobicContact CG2-CD1 3.98Å; T661-L692 HydrophobicContact CG2-CD2 3.56Å; T661-L692 HydrophobicContact CG2-CG 3.92Å; A664-L692 HydrophobicContact CB-CD1 3.74Å; A664-L692 HydrophobicContact CB-CD2 4.25Å; F665-L692 HydrophobicContact CD1-CD2 4.17Å; F665-L692 HydrophobicContact CD2-CD2 3.58Å; F665-L692 HydrophobicContact CE1-CD2 3.88Å; F665-L692 HydrophobicContact CE2-CD2 3.28Å; F665-L692 HydrophobicContact CG-CD2 4.03Å; F665-L692 HydrophobicContact CZ-CD2 3.43Å; F665-L692 VanDerWaalsContact CZ-CD2 3.43Å; A688-L692 VanDerWaalsContact O-CB 3.23Å; A688-L692 WeakPolarHBondContact O-CB 3.33Å; A688-L692 PolarHBondContact O-N 2.76Å; I689-L692 PolarHBondContact O-N 3.2Å; L692-G694 PolarHBondContact O-N 3.41Å; L692-V695 PolarHBondContact O-N 3.09Å; L692-V695 VanDerWaalsContact O-N 3.12Å; L692-S696 PolarHBondContact O-N 2.87Å |
| 693 | A | 71.2 | Confident | 66.6 | Low | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.8 | -30.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I689 G690 E691 V695 V744 N747 | I689-A693 WeakPolarHBondContact O-CB 3.25Å; I689-A693 PolarHBondContact O-N 3.06Å; G690-A693 PolarHBondContact O-N 2.91Å; E691-A693 VanDerWaalsContact C-N 3.31Å; E691-A693 PolarHBondContact O-N 3.26Å; A693-V695 PolarHBondContact O-N 3.38Å; A693-V744 HydrophobicContact CB-CB 4.4Å; A693-V744 HydrophobicContact CB-CG2 3.81Å; A693-N747 WeakPolarHBondContact O-CB 3.48Å |
| 694 | G | 68.2 | Low | 65.8 | Low | 37 Ų | 37 | 38.6 Ų | 38.6 | 38% | 0.381 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E691 L692 N747 | E691-G694 PolarHBondContact O-N 3.26Å; L692-G694 PolarHBondContact O-N 3.41Å; G694-N747 WeakPolarHBondContact CA-ND2 3.07Å |
| 695 | V | 67.7 | Low | 64.7 | Low | 26 Ų | 26 | 39 Ų | 39 | 16% | 0.158 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -26.2 | -174 | -178.1 | 0 | 0 | 0 | 0 | 113 | V650 P654 M657 K658 L692 A693 | V650-V695 HydrophobicContact CG1-CG2 3.72Å; P654-V695 HydrophobicContact CB-CG1 4.14Å; P654-V695 HydrophobicContact CB-CG2 3.67Å; P654-V695 WeakPolarHBondContact O-CG1 3.44Å; M657-V695 HydrophobicContact CB-CG1 4.45Å; K658-V695 HydrophobicContact CB-CG1 4.41Å; L692-V695 PolarHBondContact O-N 3.09Å; L692-V695 VanDerWaalsContact O-N 3.12Å; A693-V695 PolarHBondContact O-N 3.38Å |
| 696 | S | 61.3 | Low | 63.5 | Low | 21 Ų | 21 | 41.1 Ų | 41.1 | 15% | 0.147 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -72.7 | 155.7 | -172.6 | -163.6 | 0 | 0 | 0 | 0 | 114.5 | L692 | L692-S696 PolarHBondContact O-N 2.87Š|
| 697 | I | 56.4 | Low | 62.3 | Low | 102 Ų | 102 | 48.9 Ų | 48.9 | 52% | 0.523 | 25% | 0.254 | S | S | . | . | trans | -81.3 | 127.7 | 173.4 | -57.1 | 166.1 | 0 | 0 | 0 | 108 | L699 F700 | I697-L699 HydrophobicContact CG2-CB 4.47Å; I697-L699 PolarHBondContact O-N 3.3Å; I697-F700 PolarHBondContact O-N 2.91Å | ||
| 698 | A | 55.6 | Low | 61.1 | Low | 28 Ų | 28 | 46 Ų | 46 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -46.4 | -23.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | K702 L1501 | A698-K702 PolarHBondContact O-N 3.47Å; A698-L1501 HydrophobicContact CB-CD1 4.27Å |
| 699 | L | 52.4 | Low | 59.8 | Low | 133 Ų | 133 | 46.8 Ų | 46.8 | 70% | 0.696 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -73 | -33.4 | 179.9 | -128.8 | 141.1 | 0 | 0 | 0 | 113.2 | I697 | I697-L699 HydrophobicContact CG2-CB 4.47Å; I697-L699 PolarHBondContact O-N 3.3Å |
| 700 | F | 55.7 | Low | 58.4 | Low | 57 Ų | 57 | 46.8 Ų | 46.8 | 25% | 0.25 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -77.6 | -44.4 | -179 | -169.5 | -96.6 | 0 | 0 | 0 | 111.5 | Q662 F665 I697 K702 M703 T704 | Q662-F700 HydrophobicContact CB-CE1 4.24Å; Q662-F700 HydrophobicContact CB-CE2 4.01Å; Q662-F700 HydrophobicContact CB-CZ 3.69Å; Q662-F700 HydrophobicContact CG-CE1 4.48Å; Q662-F700 HydrophobicContact CG-CE2 3.9Å; Q662-F700 HydrophobicContact CG-CZ 3.56Å; F665-F700 HydrophobicContact CB-CE1 4.42Å; F665-F700 HydrophobicContact CD2-CD1 4.09Å; F665-F700 AromaticContact CD2-CE1 3.8Å; F665-F700 HydrophobicContact CD2-CE1 3.8Å; F665-F700 HydrophobicContact CE2-CD1 4.4Å; F665-F700 HydrophobicContact CG-CE1 4.47Å; I697-F700 PolarHBondContact O-N 2.91Å; F700-K702 PolarHBondContact O-N 2.89Å; F700-M703 PolarHBondContact O-N 2.91Å; F700-T704 HydrophobicContact CD1-CG2 4.36Å; F700-T704 HydrophobicContact CE1-CG2 3.71Å; F700-T704 HydrophobicContact CZ-CG2 3.82Å; F700-T704 PolarHBondContact O-N 3.34Å; F700-T704 VanDerWaalsContact O-N 3.15Å; F700-T704 PolarHBondContact O-OG1 3.46Å |
| 701 | L | 54.5 | Low | 57.2 | Low | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.6 | -35.2 | 172.5 | -78.6 | 160.4 | 0 | 0 | 0 | 111.7 | F665 M703 F705 V744 A748 | F665-L701 HydrophobicContact CE2-CD2 4.21Å; F665-L701 HydrophobicContact CZ-CD2 3.7Å; L701-M703 VanDerWaalsContact C-N 3.3Å; L701-M703 PolarHBondContact O-N 3.25Å; L701-F705 VanDerWaalsContact O-CB 3.24Å; L701-F705 WeakPolarHBondContact O-CB 3.28Å; L701-F705 PolarHBondContact O-N 3.39Å; L701-F705 VanDerWaalsContact O-N 3.09Å; L701-V744 HydrophobicContact CD2-CG1 4.28Å; L701-A748 HydrophobicContact CB-CB 3.82Å; L701-A748 HydrophobicContact CD1-CB 4.03Å; L701-A748 HydrophobicContact CG-CB 4.43Å |
| 702 | K | 52.9 | Low | 55.9 | Low | 87 Ų | 87 | 46.4 Ų | 46.4 | 38% | 0.378 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.3 | -30.5 | 173.3 | -88.4 | -173.5 | 171 | -149.8 | 0 | 115.8 | A698 F700 F750 | A698-K702 PolarHBondContact O-N 3.47Å; F700-K702 PolarHBondContact O-N 2.89Å; K702-F750 HydrophobicContact CB-CE2 4.08Å; K702-F750 HydrophobicContact CB-CZ 4.18Å; K702-F750 HydrophobicContact CG-CD2 4.22Å; K702-F750 HydrophobicContact CG-CE2 3.4Å; K702-F750 VanDerWaalsContact CG-CE2 3.4Å; K702-F750 HydrophobicContact CG-CZ 3.65Å |
| 703 | M | 52.1 | Low | 54.5 | Low | 139 Ų | 139 | 47.6 Ų | 47.6 | 69% | 0.685 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -90.9 | -31.2 | -179.3 | -70.3 | -168.3 | 69.8 | 0 | 0 | 112.9 | F700 L701 | F700-M703 PolarHBondContact O-N 2.91Å; L701-M703 VanDerWaalsContact C-N 3.3Å; L701-M703 PolarHBondContact O-N 3.25Å |
| 704 | T | 52.8 | Low | 53.5 | Low | 34 Ų | 34 | 49.6 Ų | 49.6 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -92 | -24 | -175.9 | 41.7 | 0 | 0 | 0 | 0 | 114.5 | F700 F707 G708 | F700-T704 HydrophobicContact CD1-CG2 4.36Å; F700-T704 HydrophobicContact CE1-CG2 3.71Å; F700-T704 HydrophobicContact CZ-CG2 3.82Å; F700-T704 PolarHBondContact O-N 3.34Å; F700-T704 VanDerWaalsContact O-N 3.15Å; F700-T704 PolarHBondContact O-OG1 3.46Å; T704-F707 PolarHBondContact O-N 3.36Å; T704-G708 PolarHBondContact O-N 3.33Å; T704-G708 VanDerWaalsContact O-N 3.15Å |
| 705 | F | 51.9 | Low | 52.2 | Low | 13 Ų | 13 | 54.8 Ų | 54.8 | 6% | 0.057 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -56.6 | -44.3 | 179 | -159.1 | -96.7 | 0 | 0 | 0 | 113.5 | L701 F707 F709 S710 V744 F750 | L701-F705 VanDerWaalsContact O-CB 3.24Å; L701-F705 WeakPolarHBondContact O-CB 3.28Å; L701-F705 PolarHBondContact O-N 3.39Å; L701-F705 VanDerWaalsContact O-N 3.09Å; F705-F707 PolarHBondContact O-N 3.35Å; F705-F709 HydrophobicContact CD2-CB 4.38Å; F705-F709 HydrophobicContact CE2-CD1 4.29Å; F705-S710 PolarHBondContact O-N 3.17Å; F705-S710 VanDerWaalsContact O-N 3.14Å; F705-S710 PolarHBondContact O-OG 3.02Å; F705-V744 HydrophobicContact CD2-CG1 3.62Å; F705-V744 HydrophobicContact CE2-CB 4.38Å; F705-V744 HydrophobicContact CE2-CG1 3.38Å; F705-F750 HydrophobicContact CB-CE2 4.23Å; F705-F750 HydrophobicContact CB-CZ 4.35Å |
| 706 | P | 49.8 | Very low | 51.1 | Low | 45 Ų | 45 | 55.3 Ų | 55.3 | 29% | 0.292 | 28% | 0.283 | S | S | . | . | I | π-helix | trans | -73.2 | -21.7 | -179.4 | -16.4 | 31.2 | 0 | 0 | 0 | 115.2 | S710 | P706-S710 VanDerWaalsContact CA-OG 3.29Å; P706-S710 WeakPolarHBondContact CA-OG 3.4Å; P706-S710 PolarHBondContact O-OG 2.84Å |
| 707 | F | 47.8 | Very low | 50.2 | Low | 179 Ų | 179 | 59.7 Ų | 59.7 | 79% | 0.785 | 31% | 0.31 | S | S | * | . | I | π-helix | trans | -102.1 | -23.6 | -171.9 | -79 | -81.4 | 0 | 0 | 0 | 113.9 | T704 F705 | T704-F707 PolarHBondContact O-N 3.36Å; F705-F707 PolarHBondContact O-N 3.35Å |
| 708 | G | 48.7 | Very low | 49.4 | Very low | 7 Ų | 7 | 63 Ų | 63 | 7% | 0.072 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -120.4 | -52.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | I669 T704 | I669-G708 VanDerWaalsContact CG2-CA 3.46Å; T704-G708 PolarHBondContact O-N 3.33Å; T704-G708 VanDerWaalsContact O-N 3.15Å |
| 709 | F | 49.2 | Very low | 48.6 | Very low | 15 Ų | 15 | 64.2 Ų | 64.2 | 7% | 0.066 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -84.4 | -35.1 | -173.6 | -140.4 | -102.3 | 0 | 0 | 0 | 112.1 | L672 L686 I689 F705 F712 L713 L741 | L672-F709 HydrophobicContact CD1-CD2 4.5Å; L672-F709 HydrophobicContact CD1-CE2 3.9Å; L686-F709 HydrophobicContact CD2-CE2 4.28Å; L686-F709 HydrophobicContact CD2-CZ 3.7Å; I689-F709 HydrophobicContact CD1-CD2 4.43Å; I689-F709 HydrophobicContact CD1-CE2 3.62Å; I689-F709 HydrophobicContact CD1-CZ 4.5Å; I689-F709 HydrophobicContact CG2-CE2 3.85Å; I689-F709 HydrophobicContact CG2-CZ 4.16Å; F705-F709 HydrophobicContact CD2-CB 4.38Å; F705-F709 HydrophobicContact CE2-CD1 4.29Å; F709-F712 PolarHBondContact O-N 3.31Å; F709-L713 HydrophobicContact CD1-CD1 4.3Å; F709-L713 HydrophobicContact CE1-CD1 4.48Å; F709-L713 PolarHBondContact O-N 3.2Å; F709-L741 HydrophobicContact CE1-CD1 4.37Å |
| 710 | S | 48.4 | Very low | 48.1 | Very low | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.014 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -80.6 | -27.1 | 173.5 | 69.2 | 0 | 0 | 0 | 0 | 113.9 | F705 P706 F712 L713 F714 Y758 | F705-S710 PolarHBondContact O-N 3.17Å; F705-S710 VanDerWaalsContact O-N 3.14Å; F705-S710 PolarHBondContact O-OG 3.02Å; P706-S710 VanDerWaalsContact CA-OG 3.29Å; P706-S710 WeakPolarHBondContact CA-OG 3.4Å; P706-S710 PolarHBondContact O-OG 2.84Å; S710-F712 PolarHBondContact O-N 2.98Å; S710-L713 PolarHBondContact O-N 3.05Å; S710-F714 PolarHBondContact O-N 2.74Å; S710-Y758 WeakPolarHBondContact CB-OH 3.39Å; S710-Y758 PolarHBondContact OG-OH 2.82Å; S710-Y758 VanDerWaalsContact OG-OH 3.09Å |
| 711 | G | 48.5 | Very low | 47.5 | Very low | 9 Ų | 9 | 62.3 Ų | 62.3 | 9% | 0.093 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.9 | -29.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 712 | F | 50.1 | Low | 47.1 | Very low | 35 Ų | 35 | 67 Ų | 67 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -79 | -30.3 | 174.5 | 175.7 | -108.8 | 0 | 0 | 0 | 113.5 | L672 Q673 F709 S710 | L672-F712 HydrophobicContact CB-CD2 4.21Å; L672-F712 HydrophobicContact CB-CE2 4.19Å; L672-F712 HydrophobicContact CB-CG 4.44Å; L672-F712 HydrophobicContact CB-CZ 4.36Å; L672-F712 WeakPolarHBondContact O-CD2 3.32Å; L672-F712 WeakPolarHBondContact O-CE2 3.46Å; Q673-F712 HydrophobicContact CG-CB 4.37Å; Q673-F712 HydrophobicContact CG-CD2 4.27Å; F709-F712 PolarHBondContact O-N 3.31Å; S710-F712 PolarHBondContact O-N 2.98Å |
| 713 | L | 50.4 | Low | 46.7 | Very low | 25 Ų | 25 | 63.2 Ų | 63.2 | 13% | 0.131 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -99.7 | -30.2 | -176.2 | -69.2 | 172.3 | 0 | 0 | 0 | 115.1 | F709 S710 V723 L741 | F709-L713 HydrophobicContact CD1-CD1 4.3Å; F709-L713 HydrophobicContact CE1-CD1 4.48Å; F709-L713 PolarHBondContact O-N 3.2Å; S710-L713 PolarHBondContact O-N 3.05Å; L713-V723 HydrophobicContact CB-CG2 4.19Å; L713-V723 HydrophobicContact CD2-CB 4.22Å; L713-V723 HydrophobicContact CD2-CG1 3.62Å; L713-V723 HydrophobicContact CD2-CG2 3.49Å; L713-V723 VanDerWaalsContact CD2-CG2 3.49Å; L713-V723 HydrophobicContact CG-CG2 4.42Å; L713-V723 WeakPolarHBondContact O-CG2 3.48Å; L713-L741 HydrophobicContact CD1-CD1 4.01Å |
| 714 | F | 49.9 | Very low | 46.4 | Very low | 42 Ų | 42 | 58.9 Ų | 58.9 | 18% | 0.184 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -139.4 | 7.1 | -158.6 | -57.3 | -67.3 | 0 | 0 | 0 | 117 | S710 S716 Y758 L761 | S710-F714 PolarHBondContact O-N 2.74Å; F714-S716 PolarHBondContact O-N 2.96Å; F714-Y758 HydrophobicContact CB-CD1 3.37Å; F714-Y758 HydrophobicContact CB-CE1 3.32Å; F714-Y758 HydrophobicContact CB-CG 4.27Å; F714-Y758 HydrophobicContact CD1-CD1 4.01Å; F714-Y758 HydrophobicContact CD1-CG 4.19Å; F714-Y758 AromaticContact CD2-CD1 3.74Å; F714-Y758 HydrophobicContact CD2-CD1 3.74Å; F714-Y758 AromaticContact CD2-CD2 3.93Å; F714-Y758 HydrophobicContact CD2-CD2 3.93Å; F714-Y758 AromaticContact CD2-CE1 3.82Å; F714-Y758 HydrophobicContact CD2-CE1 3.82Å; F714-Y758 HydrophobicContact CD2-CE2 4.01Å; F714-Y758 AromaticContact CD2-CG 3.81Å; F714-Y758 HydrophobicContact CD2-CG 3.81Å; F714-Y758 AromaticContact CD2-CZ 3.97Å; F714-Y758 HydrophobicContact CE2-CD2 4.13Å; F714-Y758 HydrophobicContact CE2-CE2 4.46Å; F714-Y758 HydrophobicContact CE2-CG 4.2Å; F714-Y758 AromaticContact CG-CD1 3.44Å; F714-Y758 HydrophobicContact CG-CD1 3.44Å; F714-Y758 VanDerWaalsContact CG-CD1 3.44Å; F714-Y758 HydrophobicContact CG-CD2 4.42Å; F714-Y758 AromaticContact CG-CE1 3.73Å; F714-Y758 HydrophobicContact CG-CE1 3.73Å; F714-Y758 AromaticContact CG-CG 3.83Å; F714-Y758 HydrophobicContact CG-CG 3.83Å; F714-L761 HydrophobicContact CZ-CD1 4.14Å |
| 715 | Q | 40.7 | Very low | 46 | Very low | 147 Ų | 147 | 59.5 Ų | 59.5 | 69% | 0.687 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -81.9 | -7.5 | -174.3 | -95.3 | -173.7 | -1.5 | 0 | 0 | 115.7 | ||
| 716 | S | 43.8 | Very low | 45.9 | Very low | 37 Ų | 37 | 63.3 Ų | 63.3 | 26% | 0.259 | 31% | 0.31 | S | S | . | . | trans | -150.8 | 149.4 | 171.2 | 70.3 | 0 | 0 | 0 | 0 | 114.2 | F714 K718 E719 E720 | F714-S716 PolarHBondContact O-N 2.96Å; S716-K718 PolarHBondContact O-N 3.44Å; S716-K718 VanDerWaalsContact O-N 3.08Å; S716-E719 PolarHBondContact N-OE2 3.4Å; S716-E719 WeakPolarHBondContact O-CA 3.35Å; S716-E719 PolarHBondContact O-N 2.7Å; S716-E719 WeakPolarHBondContact OG-CB 3.42Å; S716-E719 VanDerWaalsContact OG-CD 3.26Å; S716-E719 VanDerWaalsContact OG-CG 3.3Å; S716-E719 WeakPolarHBondContact OG-CG 3.38Å; S716-E719 PolarHBondContact OG-N 2.96Å; S716-E719 PolarHBondContact OG-OE2 2.88Å; S716-E720 PolarHBondContact O-N 2.91Å | ||
| 717 | P | 42 | Very low | 45.9 | Very low | 112 Ų | 112 | 62 Ų | 62 | 73% | 0.727 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.1 | -13.3 | 173.1 | 23.5 | -32.2 | 0 | 0 | 0 | 113.3 | ||
| 718 | K | 40.4 | Very low | 45.8 | Very low | 173 Ų | 173 | 55.4 Ų | 55.4 | 75% | 0.752 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -83.1 | -16.4 | 170.5 | -72 | -175.3 | 175 | -177.9 | 0 | 112.9 | S716 | S716-K718 PolarHBondContact O-N 3.44Å; S716-K718 VanDerWaalsContact O-N 3.08Å |
| 719 | E | 39.7 | Very low | 45.5 | Very low | 52 Ų | 52 | 59.8 Ų | 59.8 | 24% | 0.243 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -96.3 | -24.1 | 177.9 | -77.7 | 162.6 | 160.9 | 0 | 0 | 113.1 | S716 Q721 R722 V723 | S716-E719 PolarHBondContact N-OE2 3.4Å; S716-E719 WeakPolarHBondContact O-CA 3.35Å; S716-E719 PolarHBondContact O-N 2.7Å; S716-E719 WeakPolarHBondContact OG-CB 3.42Å; S716-E719 VanDerWaalsContact OG-CD 3.26Å; S716-E719 VanDerWaalsContact OG-CG 3.3Å; S716-E719 WeakPolarHBondContact OG-CG 3.38Å; S716-E719 PolarHBondContact OG-N 2.96Å; S716-E719 PolarHBondContact OG-OE2 2.88Å; E719-Q721 PolarHBondContact O-N 3.24Å; E719-R722 CarbonylContact O-C 3.6Å; E719-R722 WeakPolarHBondContact O-CA 3.49Å; E719-R722 WeakPolarHBondContact O-CB 3.43Å; E719-R722 PolarHBondContact O-N 3.25Å; E719-V723 WeakPolarHBondContact O-CG2 3.3Å; E719-V723 PolarHBondContact O-N 3.19Å |
| 720 | E | 40.8 | Very low | 45.4 | Very low | 70 Ų | 70 | 62 Ų | 62 | 33% | 0.327 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -52.6 | -41.9 | 165 | -86 | -172.9 | 142.7 | 0 | 0 | 111.1 | S716 R722 V723 C724 D760 | S716-E720 PolarHBondContact O-N 2.91Å; E720-R722 VanDerWaalsContact C-N 3.29Å; E720-R722 PolarHBondContact O-N 3.18Å; E720-V723 PolarHBondContact O-N 3.21Å; E720-C724 WeakPolarHBondContact O-CB 3.34Å; E720-C724 PolarHBondContact O-N 2.95Å; E720-C724 PolarHBondContact O-SG 3.08Å; E720-C724 VanDerWaalsContact O-SG 3.36Å; E720-D760 WeakPolarHBondContact OE1-CB 3.17Å |
| 721 | Q | 43.3 | Very low | 45.3 | Very low | 80 Ų | 80 | 66.6 Ų | 66.6 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63 | -35.2 | 173.4 | -118.2 | 176.9 | -0.7 | 0 | 0 | 112.7 | E719 Q725 A854 P856 | E719-Q721 PolarHBondContact O-N 3.24Å; Q721-Q725 WeakPolarHBondContact O-CB 3.49Å; Q721-Q725 VanDerWaalsContact O-CG 3.25Å; Q721-Q725 WeakPolarHBondContact O-CG 3.43Å; Q721-Q725 PolarHBondContact O-N 3.29Å; Q721-A854 PolarHBondContact NE2-O 3.32Å; Q721-P856 VanDerWaalsContact NE2-CD 3.3Å |
| 722 | R | 45.1 | Very low | 45.2 | Very low | 103 Ų | 103 | 70.6 Ų | 70.6 | 39% | 0.389 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72.2 | -38.5 | 175.9 | -76.4 | 177.8 | 158.9 | 178.9 | -5.7 | 112.3 | E719 E720 Q725 Y726 | E719-R722 CarbonylContact O-C 3.6Å; E719-R722 WeakPolarHBondContact O-CA 3.49Å; E719-R722 WeakPolarHBondContact O-CB 3.43Å; E719-R722 PolarHBondContact O-N 3.25Å; E720-R722 VanDerWaalsContact C-N 3.29Å; E720-R722 PolarHBondContact O-N 3.18Å; R722-Q725 CarbonylContact O-C 3.34Å; R722-Q725 WeakPolarHBondContact O-CB 3.38Å; R722-Q725 PolarHBondContact O-N 2.97Å; R722-Y726 WeakPolarHBondContact O-CB 2.84Å; R722-Y726 WeakPolarHBondContact O-CD2 3.33Å; R722-Y726 PolarHBondContact O-N 3.23Å |
| 723 | V | 45.7 | Very low | 45.4 | Very low | 8 Ų | 8 | 69.8 Ų | 69.8 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.7 | -42.5 | 175.2 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | L713 E719 E720 Q725 Y726 L727 M764 | L713-V723 HydrophobicContact CB-CG2 4.19Å; L713-V723 HydrophobicContact CD2-CB 4.22Å; L713-V723 HydrophobicContact CD2-CG1 3.62Å; L713-V723 HydrophobicContact CD2-CG2 3.49Å; L713-V723 VanDerWaalsContact CD2-CG2 3.49Å; L713-V723 HydrophobicContact CG-CG2 4.42Å; L713-V723 WeakPolarHBondContact O-CG2 3.48Å; E719-V723 WeakPolarHBondContact O-CG2 3.3Å; E719-V723 PolarHBondContact O-N 3.19Å; E720-V723 PolarHBondContact O-N 3.21Å; V723-Q725 VanDerWaalsContact C-N 3.35Å; V723-Y726 PolarHBondContact O-N 3.16Å; V723-L727 HydrophobicContact CG1-CD1 3.82Å; V723-L727 HydrophobicContact CG1-CG 4.41Å; V723-L727 WeakPolarHBondContact O-CB 3.16Å; V723-L727 VanDerWaalsContact O-CG 3.26Å; V723-L727 WeakPolarHBondContact O-CG 3.14Å; V723-L727 PolarHBondContact O-N 2.94Å; V723-M764 HydrophobicContact CG1-SD 4.37Å |
| 724 | C | 44.7 | Very low | 45.6 | Very low | 49 Ų | 49 | 68.6 Ų | 68.6 | 33% | 0.331 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 169 | -72.5 | 0 | 0 | 0 | 0 | 110.7 | E720 Y726 L727 S728 | E720-C724 WeakPolarHBondContact O-CB 3.34Å; E720-C724 PolarHBondContact O-N 2.95Å; E720-C724 PolarHBondContact O-SG 3.08Å; E720-C724 VanDerWaalsContact O-SG 3.36Å; C724-Y726 VanDerWaalsContact C-N 3.34Å; C724-Y726 PolarHBondContact O-N 2.76Å; C724-L727 CarbonylContact O-C 3.56Å; C724-L727 PolarHBondContact O-N 3.29Å; C724-L727 VanDerWaalsContact O-N 3.12Å; C724-S728 WeakPolarHBondContact O-CB 3.4Å; C724-S728 PolarHBondContact O-N 3.3Å; C724-S728 PolarHBondContact O-OG 3.49Å |
| 725 | Q | 45 | Very low | 46.3 | Very low | 47 Ų | 47 | 67.6 Ų | 67.6 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 172.7 | -80.2 | -176.1 | -55.1 | 0 | 0 | 112.4 | Q721 R722 V723 L727 S728 E729 P856 | Q721-Q725 WeakPolarHBondContact O-CB 3.49Å; Q721-Q725 VanDerWaalsContact O-CG 3.25Å; Q721-Q725 WeakPolarHBondContact O-CG 3.43Å; Q721-Q725 PolarHBondContact O-N 3.29Å; R722-Q725 CarbonylContact O-C 3.34Å; R722-Q725 WeakPolarHBondContact O-CB 3.38Å; R722-Q725 PolarHBondContact O-N 2.97Å; V723-Q725 VanDerWaalsContact C-N 3.35Å; Q725-L727 VanDerWaalsContact C-N 3.3Å; Q725-L727 PolarHBondContact O-N 3.36Å; Q725-S728 PolarHBondContact O-N 2.92Å; Q725-E729 HydrophobicContact CB-CG 4.21Å; Q725-E729 HydrophobicContact CG-CG 4.27Å; Q725-E729 WeakPolarHBondContact CG-OE1 3.38Å; Q725-E729 PolarHBondContact NE2-OE1 3.34Å; Q725-E729 WeakPolarHBondContact O-CA 3.39Å; Q725-E729 WeakPolarHBondContact O-CB 3.34Å; Q725-E729 PolarHBondContact O-N 3.38Å; Q725-P856 HydrophobicContact CG-CG 4.37Å |
| 726 | Y | 50.1 | Low | 47.4 | Very low | 92 Ų | 92 | 61.5 Ų | 61.5 | 36% | 0.361 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.5 | -28.7 | 176.9 | -84 | -65.9 | 0 | 0 | 0 | 112.7 | I682 R722 V723 C724 | I682-Y726 HydrophobicContact CD1-CE1 3.64Å; R722-Y726 WeakPolarHBondContact O-CB 2.84Å; R722-Y726 WeakPolarHBondContact O-CD2 3.33Å; R722-Y726 PolarHBondContact O-N 3.23Å; V723-Y726 PolarHBondContact O-N 3.16Å; C724-Y726 VanDerWaalsContact C-N 3.34Å; C724-Y726 PolarHBondContact O-N 2.76Å |
| 727 | L | 49.5 | Very low | 48.6 | Very low | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.089 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -85.7 | -21.2 | 176 | -68.6 | 168.9 | 0 | 0 | 0 | 112.6 | V723 C724 Q725 A737 L738 M764 L768 | V723-L727 HydrophobicContact CG1-CD1 3.82Å; V723-L727 HydrophobicContact CG1-CG 4.41Å; V723-L727 WeakPolarHBondContact O-CB 3.16Å; V723-L727 VanDerWaalsContact O-CG 3.26Å; V723-L727 WeakPolarHBondContact O-CG 3.14Å; V723-L727 PolarHBondContact O-N 2.94Å; C724-L727 CarbonylContact O-C 3.56Å; C724-L727 PolarHBondContact O-N 3.29Å; C724-L727 VanDerWaalsContact O-N 3.12Å; Q725-L727 VanDerWaalsContact C-N 3.3Å; Q725-L727 PolarHBondContact O-N 3.36Å; L727-A737 HydrophobicContact CD2-CB 4.17Å; L727-L738 HydrophobicContact CD2-CD2 4.43Å; L727-L738 HydrophobicContact CD2-CG 4.13Å; L727-M764 HydrophobicContact CD1-CE 4.22Å; L727-M764 HydrophobicContact CD1-SD 4.29Å; L727-L768 HydrophobicContact CB-CD2 4.5Å; L727-L768 HydrophobicContact CD1-CD1 4.13Å |
| 728 | S | 45.7 | Very low | 50 | Low | 41 Ų | 41 | 55.9 Ų | 55.9 | 29% | 0.287 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -114.5 | -24.8 | -173.5 | 73.6 | 0 | 0 | 0 | 0 | 116.1 | C724 Q725 | C724-S728 WeakPolarHBondContact O-CB 3.4Å; C724-S728 PolarHBondContact O-N 3.3Å; C724-S728 PolarHBondContact O-OG 3.49Å; Q725-S728 PolarHBondContact O-N 2.92Å |
| 729 | E | 42.8 | Very low | 51.9 | Low | 99 Ų | 99 | 50.3 Ų | 50.3 | 46% | 0.463 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -90.5 | -2.6 | -173.5 | -69.6 | -175.7 | 168.3 | 0 | 0 | 114.4 | Q725 S857 | Q725-E729 HydrophobicContact CB-CG 4.21Å; Q725-E729 HydrophobicContact CG-CG 4.27Å; Q725-E729 WeakPolarHBondContact CG-OE1 3.38Å; Q725-E729 PolarHBondContact NE2-OE1 3.34Å; Q725-E729 WeakPolarHBondContact O-CA 3.39Å; Q725-E729 WeakPolarHBondContact O-CB 3.34Å; Q725-E729 PolarHBondContact O-N 3.38Å; E729-S857 WeakPolarHBondContact OE1-CA 3.44Å |
| 730 | V | 46 | Very low | 53.3 | Low | 63 Ų | 63 | 47.8 Ų | 47.8 | 38% | 0.382 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -143.5 | 96.1 | 175.4 | -165.5 | 0 | 0 | 0 | 0 | 110 | T732 D733 | V730-T732 PolarHBondContact O-N 3.03Å; V730-D733 HydrophobicContact CB-CB 4Å; V730-D733 HydrophobicContact CG1-CB 4.16Å; V730-D733 VanDerWaalsContact CG1-CG 3.44Å; V730-D733 WeakPolarHBondContact CG1-OD2 3.45Å; V730-D733 PolarHBondContact O-N 3Å |
| 731 | D | 46.8 | Very low | 54.9 | Low | 97 Ų | 97 | 45.4 Ų | 45.4 | 52% | 0.519 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -13.3 | -171.5 | -74.6 | -42.5 | 0 | 0 | 0 | 116.3 | ||
| 732 | T | 46.9 | Very low | 56.4 | Low | 93 Ų | 93 | 41.6 Ų | 41.6 | 57% | 0.571 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -13.4 | 179 | 50.4 | 0 | 0 | 0 | 0 | 114.3 | V730 | V730-T732 PolarHBondContact O-N 3.03Š|
| 733 | D | 53.3 | Low | 57.9 | Low | 18 Ų | 18 | 37.6 Ų | 37.6 | 10% | 0.096 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -29.9 | -171.2 | -66.7 | 2.6 | 0 | 0 | 0 | 112.5 | V683 V730 A735 A736 A737 | V683-D733 HydrophobicContact CG2-CB 3.4Å; V683-D733 WeakPolarHBondContact CG2-OD1 3.17Å; V730-D733 HydrophobicContact CB-CB 4Å; V730-D733 HydrophobicContact CG1-CB 4.16Å; V730-D733 VanDerWaalsContact CG1-CG 3.44Å; V730-D733 WeakPolarHBondContact CG1-OD2 3.45Å; V730-D733 PolarHBondContact O-N 3Å; D733-A735 VanDerWaalsContact C-N 3.33Å; D733-A735 PolarHBondContact O-N 3.04Å; D733-A736 PolarHBondContact O-N 3.38Å; D733-A737 PolarHBondContact O-N 3.35Å |
| 734 | G | 56.1 | Low | 59.2 | Low | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.5 | -35.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | A736 A737 L738 | G734-A736 PolarHBondContact O-N 3.01Å; G734-A737 PolarHBondContact O-N 3.42Å; G734-L738 WeakPolarHBondContact O-CG 3.25Å; G734-L738 PolarHBondContact O-N 2.94Å |
| 735 | A | 64.3 | Low | 60.5 | Low | 22 Ų | 22 | 35.3 Ų | 35.3 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D733 L738 W739 I777 | D733-A735 VanDerWaalsContact C-N 3.33Å; D733-A735 PolarHBondContact O-N 3.04Å; A735-L738 PolarHBondContact O-N 3.32Å; A735-W739 WeakPolarHBondContact O-CB 3.39Å; A735-W739 PolarHBondContact O-N 3.43Å; A735-I777 HydrophobicContact CB-CG1 4.07Å |
| 736 | A | 64.4 | Low | 61.9 | Low | 19 Ų | 19 | 34 Ų | 34 | 16% | 0.157 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.8 | -36.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | V683 D733 G734 A740 | V683-A736 HydrophobicContact CG1-CB 3.7Å; D733-A736 PolarHBondContact O-N 3.38Å; G734-A736 PolarHBondContact O-N 3.01Å; A736-A740 VanDerWaalsContact O-CB 3.25Å; A736-A740 WeakPolarHBondContact O-CB 3.32Å; A736-A740 PolarHBondContact O-N 3.46Å |
| 737 | A | 67.5 | Low | 62.9 | Low | 25 Ų | 25 | 30.2 Ų | 30.2 | 21% | 0.207 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.5 | -47.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | L686 L727 D733 G734 A740 L741 | L686-A737 HydrophobicContact CD1-CB 3.76Å; L727-A737 HydrophobicContact CD2-CB 4.17Å; D733-A737 PolarHBondContact O-N 3.35Å; G734-A737 PolarHBondContact O-N 3.42Å; A737-A740 PolarHBondContact O-N 3.14Å; A737-L741 WeakPolarHBondContact O-CB 3.28Å; A737-L741 PolarHBondContact O-N 3.02Å |
| 738 | L | 73 | Confident | 63.7 | Low | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 177.1 | -71.5 | 167.8 | 0 | 0 | 0 | 112.2 | L727 G734 A735 L741 S742 L765 I777 E780 V781 L784 | L727-L738 HydrophobicContact CD2-CD2 4.43Å; L727-L738 HydrophobicContact CD2-CG 4.13Å; G734-L738 WeakPolarHBondContact O-CG 3.25Å; G734-L738 PolarHBondContact O-N 2.94Å; A735-L738 PolarHBondContact O-N 3.32Å; L738-L741 PolarHBondContact O-N 2.95Å; L738-S742 WeakPolarHBondContact O-CB 3.43Å; L738-S742 PolarHBondContact O-N 2.91Å; L738-S742 PolarHBondContact O-OG 3.45Å; L738-L765 HydrophobicContact CD2-CD2 3.8Å; L738-I777 HydrophobicContact CD1-CG2 3.77Å; L738-E780 HydrophobicContact CB-CB 4.31Å; L738-V781 HydrophobicContact CD1-CG2 3.56Å; L738-V781 HydrophobicContact CD2-CG2 4.33Å; L738-L784 HydrophobicContact CD2-CD2 3.87Å |
| 739 | W | 78.7 | Confident | 64.5 | Low | 55 Ų | 55 | 28.2 Ų | 28.2 | 21% | 0.208 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.5 | -46.1 | 174.3 | 177.1 | 87.9 | 0 | 0 | 0 | 111.5 | R687 E691 A735 L741 S742 Q743 | R687-W739 HydrophobicContact CG-CZ3 4.04Å; E691-W739 HydrophobicContact CG-CH2 3.99Å; E691-W739 WeakPolarHBondContact OE1-CH2 3.28Å; A735-W739 WeakPolarHBondContact O-CB 3.39Å; A735-W739 PolarHBondContact O-N 3.43Å; W739-L741 VanDerWaalsContact C-N 3.34Å; W739-L741 PolarHBondContact O-N 3.07Å; W739-S742 WeakPolarHBondContact O-CB 3.47Å; W739-S742 PolarHBondContact O-N 3.21Å; W739-S742 VanDerWaalsContact O-N 3.15Å; W739-Q743 HydrophobicContact CD2-CG 3.99Å; W739-Q743 HydrophobicContact CE3-CG 4.24Å; W739-Q743 HydrophobicContact CH2-CG 3.89Å; W739-Q743 HydrophobicContact CZ2-CG 3.62Å; W739-Q743 HydrophobicContact CZ3-CG 4.19Å; W739-Q743 WeakPolarHBondContact O-CG 3.25Å; W739-Q743 PolarHBondContact O-N 3.42Å |
| 740 | A | 70.6 | Confident | 65.2 | Low | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | L686 A736 A737 S742 Q743 V744 | L686-A740 HydrophobicContact CB-CB 4.17Å; L686-A740 WeakPolarHBondContact O-CB 3.35Å; A736-A740 VanDerWaalsContact O-CB 3.25Å; A736-A740 WeakPolarHBondContact O-CB 3.32Å; A736-A740 PolarHBondContact O-N 3.46Å; A737-A740 PolarHBondContact O-N 3.14Å; A740-S742 VanDerWaalsContact C-N 3.31Å; A740-S742 PolarHBondContact O-N 3.31Å; A740-Q743 PolarHBondContact O-N 2.87Å; A740-V744 VanDerWaalsContact O-CG2 3.29Å; A740-V744 WeakPolarHBondContact O-CG2 3.28Å; A740-V744 PolarHBondContact O-N 2.95Å |
| 741 | L | 72.7 | Confident | 65.8 | Low | 19 Ų | 19 | 21.6 Ų | 21.6 | 10% | 0.099 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59 | -43.7 | 174 | -162.7 | 88.8 | 0 | 0 | 0 | 111.2 | F709 L713 A737 L738 W739 Q743 V744 I745 L784 | F709-L741 HydrophobicContact CE1-CD1 4.37Å; L713-L741 HydrophobicContact CD1-CD1 4.01Å; A737-L741 WeakPolarHBondContact O-CB 3.28Å; A737-L741 PolarHBondContact O-N 3.02Å; L738-L741 PolarHBondContact O-N 2.95Å; W739-L741 VanDerWaalsContact C-N 3.34Å; W739-L741 PolarHBondContact O-N 3.07Å; L741-Q743 PolarHBondContact O-N 3.44Å; L741-V744 PolarHBondContact O-N 3.37Å; L741-I745 HydrophobicContact CD2-CD1 3.96Å; L741-I745 HydrophobicContact CG-CD1 3.87Å; L741-I745 WeakPolarHBondContact O-CB 3.29Å; L741-I745 WeakPolarHBondContact O-CG1 3.32Å; L741-I745 PolarHBondContact O-N 3.4Å; L741-L784 HydrophobicContact CD2-CD1 3.92Å; L741-L784 HydrophobicContact CD2-CD2 3.56Å; L741-L784 HydrophobicContact CD2-CG 4.38Å; L741-L784 HydrophobicContact CG-CD1 4.5Å |
| 742 | S | 76.1 | Confident | 66.2 | Low | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 175.9 | -64.7 | 0 | 0 | 0 | 0 | 111.7 | L738 W739 A740 K746 L784 | L738-S742 WeakPolarHBondContact O-CB 3.43Å; L738-S742 PolarHBondContact O-N 2.91Å; L738-S742 PolarHBondContact O-OG 3.45Å; W739-S742 WeakPolarHBondContact O-CB 3.47Å; W739-S742 PolarHBondContact O-N 3.21Å; W739-S742 VanDerWaalsContact O-N 3.15Å; A740-S742 VanDerWaalsContact C-N 3.31Å; A740-S742 PolarHBondContact O-N 3.31Å; S742-K746 WeakPolarHBondContact O-CB 3.23Å; S742-K746 PolarHBondContact O-N 2.9Å; S742-L784 WeakPolarHBondContact OG-CB 3.4Å |
| 743 | Q | 76.8 | Confident | 66.9 | Low | 19 Ų | 19 | 16 Ų | 16 | 9% | 0.089 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.7 | -38.2 | 177 | -64.1 | -46.3 | -35.9 | 0 | 0 | 112.7 | G690 W739 A740 L741 N747 | G690-Q743 WeakPolarHBondContact O-CB 3.38Å; W739-Q743 HydrophobicContact CD2-CG 3.99Å; W739-Q743 HydrophobicContact CE3-CG 4.24Å; W739-Q743 HydrophobicContact CH2-CG 3.89Å; W739-Q743 HydrophobicContact CZ2-CG 3.62Å; W739-Q743 HydrophobicContact CZ3-CG 4.19Å; W739-Q743 WeakPolarHBondContact O-CG 3.25Å; W739-Q743 PolarHBondContact O-N 3.42Å; A740-Q743 PolarHBondContact O-N 2.87Å; L741-Q743 PolarHBondContact O-N 3.44Å; Q743-N747 WeakPolarHBondContact O-CB 3.45Å; Q743-N747 PolarHBondContact O-N 3.1Å; Q743-N747 PolarHBondContact O-ND2 3.34Å |
| 744 | V | 71.6 | Confident | 67 | Low | 4 Ų | 4 | 15.4 Ų | 15.4 | 2% | 0.024 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.2 | -49.7 | 177.8 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | I689 A693 L701 F705 A740 L741 K746 N747 A748 | I689-V744 HydrophobicContact CG2-CG2 4.13Å; A693-V744 HydrophobicContact CB-CB 4.4Å; A693-V744 HydrophobicContact CB-CG2 3.81Å; L701-V744 HydrophobicContact CD2-CG1 4.28Å; F705-V744 HydrophobicContact CD2-CG1 3.62Å; F705-V744 HydrophobicContact CE2-CB 4.38Å; F705-V744 HydrophobicContact CE2-CG1 3.38Å; A740-V744 VanDerWaalsContact O-CG2 3.29Å; A740-V744 WeakPolarHBondContact O-CG2 3.28Å; A740-V744 PolarHBondContact O-N 2.95Å; L741-V744 PolarHBondContact O-N 3.37Å; V744-K746 VanDerWaalsContact C-N 3.34Å; V744-K746 PolarHBondContact O-N 3.5Å; V744-N747 PolarHBondContact O-N 2.93Å; V744-A748 WeakPolarHBondContact O-CB 3.35Å; V744-A748 PolarHBondContact O-N 2.95Å |
| 745 | I | 72.8 | Confident | 66.8 | Low | 6 Ų | 6 | 16 Ų | 16 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.4 | -46.9 | 178.6 | -73.4 | 164.8 | 0 | 0 | 0 | 110.6 | L741 G749 L784 | L741-I745 HydrophobicContact CD2-CD1 3.96Å; L741-I745 HydrophobicContact CG-CD1 3.87Å; L741-I745 WeakPolarHBondContact O-CB 3.29Å; L741-I745 WeakPolarHBondContact O-CG1 3.32Å; L741-I745 PolarHBondContact O-N 3.4Å; I745-G749 PolarHBondContact O-N 3.42Å; I745-G749 VanDerWaalsContact O-N 3.13Å; I745-L784 HydrophobicContact CD1-CD1 3.53Å |
| 746 | K | 75.2 | Confident | 66.7 | Low | 18 Ų | 18 | 20.2 Ų | 20.2 | 8% | 0.078 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59 | -48.6 | 179.3 | 179 | 177.9 | 169.3 | -174.4 | 0 | 112.8 | S742 V744 L787 E1491 | S742-K746 WeakPolarHBondContact O-CB 3.23Å; S742-K746 PolarHBondContact O-N 2.9Å; V744-K746 VanDerWaalsContact C-N 3.34Å; V744-K746 PolarHBondContact O-N 3.5Å; K746-L787 HydrophobicContact CB-CD1 4.3Å; K746-L787 HydrophobicContact CB-CD2 4.22Å; K746-L787 HydrophobicContact CD-CD2 4.31Å; K746-L787 HydrophobicContact CG-CD2 4.24Å; K746-E1491 WeakPolarHBondContact CE-OE1 3.36Å; K746-E1491 VanDerWaalsContact CE-OE2 3.29Å; K746-E1491 WeakPolarHBondContact CE-OE2 3.32Å; K746-E1491 IonicContact NZ-OE1 2.83Å; K746-E1491 PolarHBondContact NZ-OE1 2.95Å; K746-E1491 IonicContact NZ-OE2 3.36Å |
| 747 | N | 70.2 | Confident | 66.5 | Low | 13 Ų | 13 | 24 Ų | 24 | 7% | 0.07 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -85.3 | -27.7 | -174.5 | -66.5 | -60.3 | 0 | 0 | 0 | 113.6 | A693 G694 Q743 V744 G749 K1498 | A693-N747 WeakPolarHBondContact O-CB 3.48Å; G694-N747 WeakPolarHBondContact CA-ND2 3.07Å; Q743-N747 WeakPolarHBondContact O-CB 3.45Å; Q743-N747 PolarHBondContact O-N 3.1Å; Q743-N747 PolarHBondContact O-ND2 3.34Å; V744-N747 PolarHBondContact O-N 2.93Å; N747-G749 VanDerWaalsContact C-N 3.31Å; N747-K1498 PolarHBondContact OD1-NZ 3.46Å |
| 748 | A | 66.3 | Low | 66.2 | Low | 3 Ų | 3 | 24.9 Ų | 24.9 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -77.2 | -20.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L701 V744 F750 | L701-A748 HydrophobicContact CB-CB 3.82Å; L701-A748 HydrophobicContact CD1-CB 4.03Å; L701-A748 HydrophobicContact CG-CB 4.43Å; V744-A748 WeakPolarHBondContact O-CB 3.35Å; V744-A748 PolarHBondContact O-N 2.95Å; A748-F750 HydrophobicContact CB-CD2 3.63Å; A748-F750 HydrophobicContact CB-CE2 4.31Å; A748-F750 PolarHBondContact O-N 3.12Å |
| 749 | G | 62.3 | Low | 65.7 | Low | 13 Ų | 13 | 25.4 Ų | 25.4 | 13% | 0.134 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 25.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I745 N747 L751 | I745-G749 PolarHBondContact O-N 3.42Å; I745-G749 VanDerWaalsContact O-N 3.13Å; N747-G749 VanDerWaalsContact C-N 3.31Å; G749-L751 VanDerWaalsContact C-N 3.33Å; G749-L751 PolarHBondContact O-N 2.92Å |
| 750 | F | 58.4 | Low | 65 | Low | 11 Ų | 11 | 25 Ų | 25 | 5% | 0.048 | 13% | 0.125 | C | C | . | . | trans | -73.5 | 90 | 170.3 | -92.9 | -90.8 | 0 | 0 | 0 | 108.5 | K702 F705 A748 E753 P754 | K702-F750 HydrophobicContact CB-CE2 4.08Å; K702-F750 HydrophobicContact CB-CZ 4.18Å; K702-F750 HydrophobicContact CG-CD2 4.22Å; K702-F750 HydrophobicContact CG-CE2 3.4Å; K702-F750 VanDerWaalsContact CG-CE2 3.4Å; K702-F750 HydrophobicContact CG-CZ 3.65Å; F705-F750 HydrophobicContact CB-CE2 4.23Å; F705-F750 HydrophobicContact CB-CZ 4.35Å; A748-F750 HydrophobicContact CB-CD2 3.63Å; A748-F750 HydrophobicContact CB-CE2 4.31Å; A748-F750 PolarHBondContact O-N 3.12Å; F750-E753 HydrophobicContact CD1-CB 3.77Å; F750-E753 WeakPolarHBondContact CD1-OE2 3.35Å; F750-E753 HydrophobicContact CE1-CB 4.3Å; F750-E753 WeakPolarHBondContact CE1-OE2 3.35Å; F750-P754 HydrophobicContact CB-CG 4.26Å | ||
| 751 | L | 57.4 | Low | 64.9 | Low | 13 Ų | 13 | 25.4 Ų | 25.4 | 7% | 0.068 | 13% | 0.127 | C | C | . | . | trans | -93.7 | 115.2 | 175.8 | -70.8 | 160.4 | 0 | 0 | 0 | 108.3 | G749 E753 V1505 K1508 R1509 | G749-L751 VanDerWaalsContact C-N 3.33Å; G749-L751 PolarHBondContact O-N 2.92Å; L751-E753 PolarHBondContact O-N 2.89Å; L751-V1505 HydrophobicContact CD1-CB 3.98Å; L751-V1505 HydrophobicContact CD1-CG1 3.64Å; L751-V1505 HydrophobicContact CD1-CG2 4.37Å; L751-V1505 WeakPolarHBondContact CD1-O 3.45Å; L751-V1505 HydrophobicContact CD2-CG1 3.94Å; L751-V1505 HydrophobicContact CG-CG1 4.07Å; L751-K1508 HydrophobicContact CD1-CB 3.58Å; L751-R1509 HydrophobicContact CD1-CB 4.24Å; L751-R1509 HydrophobicContact CD2-CB 3.94Å; L751-R1509 HydrophobicContact CD2-CG 4.03Å | ||
| 752 | M | 55.8 | Low | 64.8 | Low | 8 Ų | 8 | 25.2 Ų | 25.2 | 4% | 0.039 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 60.2 | -12.8 | 169.6 | -51 | -59.8 | -24.3 | 0 | 0 | 117.5 | A755 K756 I788 L791 D1512 | M752-A755 HydrophobicContact CE-CB 3.23Å; M752-A755 CarbonylContact O-C 3.38Å; M752-A755 WeakPolarHBondContact O-CA 3.19Å; M752-A755 PolarHBondContact O-N 3.33Å; M752-K756 PolarHBondContact O-N 3.24Å; M752-I788 HydrophobicContact CE-CG2 3.27Å; M752-I788 VanDerWaalsContact SD-C 3.56Å; M752-I788 HydrophobicContact SD-CB 4.23Å; M752-I788 HydrophobicContact SD-CG2 3.16Å; M752-I788 WeakPolarHBondContact SD-CG2 3.47Å; M752-L791 HydrophobicContact CE-CD1 2.97Å; M752-L791 HydrophobicContact CE-CG 4.41Å; M752-L791 HydrophobicContact CG-CD1 4.18Å; M752-L791 HydrophobicContact SD-CD1 3.62Å; M752-D1512 HydrophobicContact CG-CB 4.46Å |
| 753 | E | 61.1 | Low | 64.3 | Low | 63 Ų | 63 | 26.7 Ų | 26.7 | 29% | 0.294 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -48.3 | -41.4 | 163.6 | -84.7 | 167.5 | -156.7 | 0 | 0 | 110.4 | F750 L751 A755 K756 E757 K1508 | F750-E753 HydrophobicContact CD1-CB 3.77Å; F750-E753 WeakPolarHBondContact CD1-OE2 3.35Å; F750-E753 HydrophobicContact CE1-CB 4.3Å; F750-E753 WeakPolarHBondContact CE1-OE2 3.35Å; L751-E753 PolarHBondContact O-N 2.89Å; E753-A755 VanDerWaalsContact C-N 3.34Å; E753-A755 PolarHBondContact O-N 3.47Å; E753-K756 PolarHBondContact O-N 3.48Å; E753-E757 WeakPolarHBondContact O-CB 3.14Å; E753-E757 WeakPolarHBondContact O-CG 3.37Å; E753-E757 PolarHBondContact O-N 2.8Å; E753-K1508 IonicContact OE1-NZ 3.19Å |
| 754 | P | 55.6 | Low | 64 | Low | 7 Ų | 7 | 26.8 Ų | 26.8 | 5% | 0.045 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.3 | -33.4 | 171.5 | -22.4 | 33.3 | 0 | 0 | 0 | 114.3 | F750 Y758 L761 | F750-P754 HydrophobicContact CB-CG 4.26Å; P754-Y758 HydrophobicContact CB-CD2 4.42Å; P754-Y758 CarbonylContact O-C 3.56Å; P754-Y758 WeakPolarHBondContact O-CA 3.33Å; P754-Y758 WeakPolarHBondContact O-CB 3.44Å; P754-Y758 WeakPolarHBondContact O-CD2 3.37Å; P754-Y758 PolarHBondContact O-N 3.46Å; P754-L761 HydrophobicContact CB-CD2 4.09Å |
| 755 | A | 52.1 | Low | 64.1 | Low | 11 Ų | 11 | 26.6 Ų | 26.6 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -80.4 | -21.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M752 E753 P759 | M752-A755 HydrophobicContact CE-CB 3.23Å; M752-A755 CarbonylContact O-C 3.38Å; M752-A755 WeakPolarHBondContact O-CA 3.19Å; M752-A755 PolarHBondContact O-N 3.33Å; E753-A755 VanDerWaalsContact C-N 3.34Å; E753-A755 PolarHBondContact O-N 3.47Å; A755-P759 WeakPolarHBondContact O-CA 3.42Å |
| 756 | K | 61.9 | Low | 64.1 | Low | 111 Ų | 111 | 27.2 Ų | 27.2 | 48% | 0.483 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -78.3 | -42.2 | 170 | -80.1 | -177.1 | 175.7 | 175.8 | 0 | 111.9 | M752 E753 Y799 | M752-K756 PolarHBondContact O-N 3.24Å; E753-K756 PolarHBondContact O-N 3.48Å; K756-Y799 HydrophobicContact CD-CE1 4.12Å; K756-Y799 WeakPolarHBondContact CE-OH 3.4Å; K756-Y799 HydrophobicContact CG-CD1 3.98Å; K756-Y799 HydrophobicContact CG-CE1 3.57Å; K756-Y799 HydrophobicContact CG-CE2 4.24Å |
| 757 | E | 61.3 | Low | 63.8 | Low | 98 Ų | 98 | 30.8 Ų | 30.8 | 46% | 0.458 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -78.6 | -32.7 | 179.4 | -69 | -180 | 173.2 | 0 | 0 | 111.5 | E753 | E753-E757 WeakPolarHBondContact O-CB 3.14Å; E753-E757 WeakPolarHBondContact O-CG 3.37Å; E753-E757 PolarHBondContact O-N 2.8Å |
| 758 | Y | 60.6 | Low | 63.8 | Low | 44 Ų | 44 | 30.9 Ų | 30.9 | 17% | 0.173 | 16% | 0.157 | C | C | . | . | trans | -130.4 | 80.7 | 179.3 | -45.2 | -71.7 | 0 | 0 | 0 | 110.8 | S710 F714 P754 D760 L761 | S710-Y758 WeakPolarHBondContact CB-OH 3.39Å; S710-Y758 PolarHBondContact OG-OH 2.82Å; S710-Y758 VanDerWaalsContact OG-OH 3.09Å; F714-Y758 HydrophobicContact CB-CD1 3.37Å; F714-Y758 HydrophobicContact CB-CE1 3.32Å; F714-Y758 HydrophobicContact CB-CG 4.27Å; F714-Y758 HydrophobicContact CD1-CD1 4.01Å; F714-Y758 HydrophobicContact CD1-CG 4.19Å; F714-Y758 AromaticContact CD2-CD1 3.74Å; F714-Y758 HydrophobicContact CD2-CD1 3.74Å; F714-Y758 AromaticContact CD2-CD2 3.93Å; F714-Y758 HydrophobicContact CD2-CD2 3.93Å; F714-Y758 AromaticContact CD2-CE1 3.82Å; F714-Y758 HydrophobicContact CD2-CE1 3.82Å; F714-Y758 HydrophobicContact CD2-CE2 4.01Å; F714-Y758 AromaticContact CD2-CG 3.81Å; F714-Y758 HydrophobicContact CD2-CG 3.81Å; F714-Y758 AromaticContact CD2-CZ 3.97Å; F714-Y758 HydrophobicContact CE2-CD2 4.13Å; F714-Y758 HydrophobicContact CE2-CE2 4.46Å; F714-Y758 HydrophobicContact CE2-CG 4.2Å; F714-Y758 AromaticContact CG-CD1 3.44Å; F714-Y758 HydrophobicContact CG-CD1 3.44Å; F714-Y758 VanDerWaalsContact CG-CD1 3.44Å; F714-Y758 HydrophobicContact CG-CD2 4.42Å; F714-Y758 AromaticContact CG-CE1 3.73Å; F714-Y758 HydrophobicContact CG-CE1 3.73Å; F714-Y758 AromaticContact CG-CG 3.83Å; F714-Y758 HydrophobicContact CG-CG 3.83Å; P754-Y758 HydrophobicContact CB-CD2 4.42Å; P754-Y758 CarbonylContact O-C 3.56Å; P754-Y758 WeakPolarHBondContact O-CA 3.33Å; P754-Y758 WeakPolarHBondContact O-CB 3.44Å; P754-Y758 WeakPolarHBondContact O-CD2 3.37Å; P754-Y758 PolarHBondContact O-N 3.46Å; Y758-D760 PolarHBondContact O-N 3.32Å; Y758-D760 VanDerWaalsContact O-N 3.16Å; Y758-L761 WeakPolarHBondContact O-CB 3.46Å; Y758-L761 PolarHBondContact O-N 3.36Å | ||
| 759 | P | 63 | Low | 64 | Low | 17 Ų | 17 | 30.8 Ų | 30.8 | 11% | 0.11 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -30.5 | -177.7 | -23.8 | 33.8 | 0 | 0 | 0 | 114 | A755 L761 | A755-P759 WeakPolarHBondContact O-CA 3.42Å; P759-L761 VanDerWaalsContact C-N 3.31Å; P759-L761 PolarHBondContact O-N 3.45Å |
| 760 | D | 62.4 | Low | 64.1 | Low | 48 Ų | 48 | 34.5 Ų | 34.5 | 26% | 0.257 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -77.4 | -12.8 | -174.5 | -58.5 | -58.8 | 0 | 0 | 0 | 113.6 | E720 Y758 L762 G763 M764 | E720-D760 WeakPolarHBondContact OE1-CB 3.17Å; Y758-D760 PolarHBondContact O-N 3.32Å; Y758-D760 VanDerWaalsContact O-N 3.16Å; D760-L762 PolarHBondContact O-N 3.44Å; D760-G763 PolarHBondContact O-N 3.31Å; D760-M764 WeakPolarHBondContact O-CB 3.35Å; D760-M764 PolarHBondContact O-N 3.4Å |
| 761 | L | 69.1 | Low | 64.3 | Low | 8 Ų | 8 | 38.2 Ų | 38.2 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.5 | -46.6 | -178.6 | 176.1 | 61.5 | 0 | 0 | 0 | 112.4 | F714 P754 Y758 P759 G763 M764 L765 | F714-L761 HydrophobicContact CZ-CD1 4.14Å; P754-L761 HydrophobicContact CB-CD2 4.09Å; Y758-L761 WeakPolarHBondContact O-CB 3.46Å; Y758-L761 PolarHBondContact O-N 3.36Å; P759-L761 VanDerWaalsContact C-N 3.31Å; P759-L761 PolarHBondContact O-N 3.45Å; L761-G763 VanDerWaalsContact C-N 3.34Å; L761-M764 HydrophobicContact CD1-CE 3.71Å; L761-M764 PolarHBondContact O-N 2.99Å; L761-L765 HydrophobicContact CD1-CD1 4.26Å; L761-L765 HydrophobicContact CD1-CG 4.25Å; L761-L765 HydrophobicContact CG-CD1 4.28Å; L761-L765 WeakPolarHBondContact O-CG 3.23Å; L761-L765 PolarHBondContact O-N 3.31Å |
| 762 | L | 70.4 | Confident | 64.7 | Low | 14 Ų | 14 | 38.7 Ų | 38.7 | 7% | 0.073 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 179.9 | -173.6 | 66.8 | 0 | 0 | 0 | 110.3 | D760 M764 L765 L766 E796 Y1470 | D760-L762 PolarHBondContact O-N 3.44Å; L762-M764 VanDerWaalsContact C-N 3.33Å; L762-M764 PolarHBondContact O-N 2.86Å; L762-L765 PolarHBondContact O-N 2.88Å; L762-L766 HydrophobicContact CD1-CD1 4.43Å; L762-L766 HydrophobicContact CD1-CG 4.49Å; L762-L766 HydrophobicContact CG-CD1 4.02Å; L762-L766 HydrophobicContact CG-CG 4.46Å; L762-L766 WeakPolarHBondContact O-CB 3.35Å; L762-L766 WeakPolarHBondContact O-CG 3.3Å; L762-L766 PolarHBondContact O-N 3.41Å; L762-E796 HydrophobicContact CD2-CG 4.21Å; L762-Y1470 HydrophobicContact CD2-CD2 4.43Å; L762-Y1470 HydrophobicContact CD2-CE2 3.91Å |
| 763 | G | 66.8 | Low | 65.2 | Low | 31 Ų | 31 | 46 Ų | 46 | 32% | 0.32 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.4 | -39 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D760 L761 R767 | D760-G763 PolarHBondContact O-N 3.31Å; L761-G763 VanDerWaalsContact C-N 3.34Å; G763-R767 WeakPolarHBondContact O-CB 3.26Å; G763-R767 WeakPolarHBondContact O-CG 3.38Å; G763-R767 PolarHBondContact O-N 3.37Å; G763-R767 PolarHBondContact O-NE 3.41Å |
| 764 | M | 70.1 | Confident | 65.5 | Low | 21 Ų | 21 | 45 Ų | 45 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -49.7 | 174.4 | -175.8 | -178.9 | 66.4 | 0 | 0 | 112.1 | V723 L727 D760 L761 L762 L766 R767 L768 | V723-M764 HydrophobicContact CG1-SD 4.37Å; L727-M764 HydrophobicContact CD1-CE 4.22Å; L727-M764 HydrophobicContact CD1-SD 4.29Å; D760-M764 WeakPolarHBondContact O-CB 3.35Å; D760-M764 PolarHBondContact O-N 3.4Å; L761-M764 HydrophobicContact CD1-CE 3.71Å; L761-M764 PolarHBondContact O-N 2.99Å; L762-M764 VanDerWaalsContact C-N 3.33Å; L762-M764 PolarHBondContact O-N 2.86Å; M764-L766 VanDerWaalsContact C-N 3.32Å; M764-L766 PolarHBondContact O-N 3.24Å; M764-R767 WeakPolarHBondContact O-CB 3.43Å; M764-R767 PolarHBondContact O-N 3.23Å; M764-R767 VanDerWaalsContact O-N 3.09Å; M764-L768 PolarHBondContact O-N 3.03Å |
| 765 | L | 73.1 | Confident | 66.4 | Low | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 179 | -68.2 | 175.7 | 0 | 0 | 0 | 112.1 | L738 L761 L762 R767 L768 L769 V781 L784 V785 I788 | L738-L765 HydrophobicContact CD2-CD2 3.8Å; L761-L765 HydrophobicContact CD1-CD1 4.26Å; L761-L765 HydrophobicContact CD1-CG 4.25Å; L761-L765 HydrophobicContact CG-CD1 4.28Å; L761-L765 WeakPolarHBondContact O-CG 3.23Å; L761-L765 PolarHBondContact O-N 3.31Å; L762-L765 PolarHBondContact O-N 2.88Å; L765-R767 VanDerWaalsContact C-N 3.28Å; L765-R767 PolarHBondContact O-N 2.99Å; L765-L768 HydrophobicContact CD2-CD1 4.26Å; L765-L768 PolarHBondContact O-N 3.37Å; L765-L769 PolarHBondContact O-N 3.27Å; L765-V781 HydrophobicContact CB-CG1 4.04Å; L765-V781 HydrophobicContact CD2-CG1 4.33Å; L765-V781 WeakPolarHBondContact O-CG1 3.44Å; L765-L784 HydrophobicContact CD1-CD2 3.57Å; L765-L784 HydrophobicContact CD1-CG 3.91Å; L765-L784 HydrophobicContact CD2-CD2 3.51Å; L765-L784 HydrophobicContact CG-CD2 4.19Å; L765-V785 HydrophobicContact CB-CG2 4.15Å; L765-V785 HydrophobicContact CD1-CG2 4.16Å; L765-I788 HydrophobicContact CD1-CD1 3.82Å |
| 766 | L | 73.8 | Confident | 67.3 | Low | 20 Ų | 20 | 56.2 Ų | 56.2 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.8 | -28 | 176.9 | -66.7 | 176.7 | 0 | 0 | 0 | 112.7 | L762 M764 L769 V1466 Y1470 | L762-L766 HydrophobicContact CD1-CD1 4.43Å; L762-L766 HydrophobicContact CD1-CG 4.49Å; L762-L766 HydrophobicContact CG-CD1 4.02Å; L762-L766 HydrophobicContact CG-CG 4.46Å; L762-L766 WeakPolarHBondContact O-CB 3.35Å; L762-L766 WeakPolarHBondContact O-CG 3.3Å; L762-L766 PolarHBondContact O-N 3.41Å; M764-L766 VanDerWaalsContact C-N 3.32Å; M764-L766 PolarHBondContact O-N 3.24Å; L766-L769 HydrophobicContact CD2-CD1 4.34Å; L766-V1466 HydrophobicContact CB-CG1 3.7Å; L766-V1466 HydrophobicContact CD1-CG1 4.09Å; L766-V1466 HydrophobicContact CD2-CG1 3.79Å; L766-V1466 HydrophobicContact CD2-CG2 4.02Å; L766-V1466 HydrophobicContact CG-CG1 4.04Å; L766-Y1470 HydrophobicContact CD1-CD2 4.04Å |
| 767 | R | 67.3 | Low | 68 | Low | 93 Ų | 93 | 51.2 Ų | 51.2 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -71.8 | -39.5 | 170.9 | -80.5 | -177.5 | -68.8 | -157 | -6.6 | 112.5 | G763 M764 L765 L769 K770 T771 E818 | G763-R767 WeakPolarHBondContact O-CB 3.26Å; G763-R767 WeakPolarHBondContact O-CG 3.38Å; G763-R767 PolarHBondContact O-N 3.37Å; G763-R767 PolarHBondContact O-NE 3.41Å; M764-R767 WeakPolarHBondContact O-CB 3.43Å; M764-R767 PolarHBondContact O-N 3.23Å; M764-R767 VanDerWaalsContact O-N 3.09Å; L765-R767 VanDerWaalsContact C-N 3.28Å; L765-R767 PolarHBondContact O-N 2.99Å; R767-L769 PolarHBondContact O-N 3.46Å; R767-K770 WeakPolarHBondContact O-CA 3.48Å; R767-K770 WeakPolarHBondContact O-CB 3.05Å; R767-K770 PolarHBondContact O-N 3.49Å; R767-T771 PolarHBondContact O-N 3.43Å; R767-T771 PolarHBondContact O-OG1 2.98Å; R767-E818 IonicContact CZ-OE2 2.65Å; R767-E818 VanDerWaalsContact NH1-CD 3.34Å; R767-E818 IonicContact NH1-OE1 3.54Å; R767-E818 IonicContact NH1-OE2 3.16Å; R767-E818 PolarHBondContact NH1-OE2 3.42Å; R767-E818 IonicContact NH2-OE2 2.85Å |
| 768 | L | 70.4 | Confident | 68.9 | Low | 14 Ų | 14 | 48.1 Ų | 48.1 | 7% | 0.073 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.9 | -37.2 | 176.1 | -69.7 | 170 | 0 | 0 | 0 | 111.7 | L727 M764 L765 K770 T771 E772 V781 | L727-L768 HydrophobicContact CB-CD2 4.5Å; L727-L768 HydrophobicContact CD1-CD1 4.13Å; M764-L768 PolarHBondContact O-N 3.03Å; L765-L768 HydrophobicContact CD2-CD1 4.26Å; L765-L768 PolarHBondContact O-N 3.37Å; L768-K770 PolarHBondContact O-N 3.09Å; L768-T771 PolarHBondContact O-N 3.18Å; L768-E772 HydrophobicContact CB-CG 4.42Å; L768-E772 HydrophobicContact CD2-CG 4.12Å; L768-E772 VanDerWaalsContact O-CB 3.23Å; L768-E772 WeakPolarHBondContact O-CB 3.42Å; L768-E772 WeakPolarHBondContact O-CG 3.47Å; L768-E772 PolarHBondContact O-N 3.38Å; L768-V781 HydrophobicContact CB-CG2 4.22Å; L768-V781 HydrophobicContact CD1-CG2 4.39Å |
| 769 | L | 71.4 | Confident | 70 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.9 | -20.3 | 173.6 | -69.3 | 170.9 | 0 | 0 | 0 | 114 | L765 L766 R767 R778 V781 I782 L1462 | L765-L769 PolarHBondContact O-N 3.27Å; L766-L769 HydrophobicContact CD2-CD1 4.34Å; R767-L769 PolarHBondContact O-N 3.46Å; L769-R778 HydrophobicContact CD2-CB 3.99Å; L769-R778 HydrophobicContact CD2-CG 4.32Å; L769-R778 PolarHBondContact O-NH1 2.91Å; L769-R778 PolarHBondContact O-NH2 3.08Å; L769-V781 HydrophobicContact CD1-CG1 4.01Å; L769-V781 HydrophobicContact CD2-CB 4Å; L769-V781 HydrophobicContact CD2-CG1 3.92Å; L769-V781 HydrophobicContact CG-CB 4.3Å; L769-V781 HydrophobicContact CG-CG1 3.68Å; L769-I782 HydrophobicContact CD1-CG1 4.43Å; L769-I782 HydrophobicContact CD2-CD1 4.34Å; L769-I782 HydrophobicContact CD2-CG1 3.92Å; L769-L1462 HydrophobicContact CD1-CD2 3.74Å |
| 770 | K | 64.3 | Low | 70.8 | Confident | 92 Ų | 92 | 50 Ų | 50 | 40% | 0.4 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -92.1 | -37.6 | 177.6 | -61.6 | 178.2 | -173.3 | 174.2 | 0 | 112.1 | R767 L768 V1466 | R767-K770 WeakPolarHBondContact O-CA 3.48Å; R767-K770 WeakPolarHBondContact O-CB 3.05Å; R767-K770 PolarHBondContact O-N 3.49Å; L768-K770 PolarHBondContact O-N 3.09Å; K770-V1466 PolarHBondContact NZ-O 3.12Å |
| 771 | T | 61.8 | Low | 71.8 | Confident | 89 Ų | 89 | 47.7 Ų | 47.7 | 55% | 0.546 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -86.9 | -40.7 | -174.3 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | R767 L768 | R767-T771 PolarHBondContact O-N 3.43Å; R767-T771 PolarHBondContact O-OG1 2.98Å; L768-T771 PolarHBondContact O-N 3.18Å |
| 772 | E | 66.9 | Low | 72.6 | Confident | 23 Ų | 23 | 47.4 Ų | 47.4 | 11% | 0.107 | 23% | 0.233 | C | C | . | . | trans | -79.5 | 134.5 | -172.2 | -68 | -60.2 | 138.7 | 0 | 0 | 112.3 | L768 I777 R778 | L768-E772 HydrophobicContact CB-CG 4.42Å; L768-E772 HydrophobicContact CD2-CG 4.12Å; L768-E772 VanDerWaalsContact O-CB 3.23Å; L768-E772 WeakPolarHBondContact O-CB 3.42Å; L768-E772 WeakPolarHBondContact O-CG 3.47Å; L768-E772 PolarHBondContact O-N 3.38Å; E772-I777 HydrophobicContact CB-CG2 4.38Å; E772-I777 HydrophobicContact CG-CG2 4.15Å; E772-R778 HydrophobicContact CB-CG 4.45Å; E772-R778 WeakPolarHBondContact O-CD 3.48Å; E772-R778 PolarHBondContact O-NH1 3.22Å | ||
| 773 | Q | 65.1 | Low | 73.4 | Confident | 160 Ų | 160 | 48.1 Ų | 48.1 | 75% | 0.748 | 23% | 0.234 | S | C | * | . | trans | -98.6 | -15.6 | 177.9 | -64.1 | -173.8 | 11.4 | 0 | 0 | 113.1 | H775 | Q773-H775 PolarHBondContact O-N 3.49Š| ||
| 774 | S | 68 | Low | 74.2 | Confident | 43 Ų | 43 | 46.6 Ų | 46.6 | 30% | 0.301 | 22% | 0.219 | S | C | . | . | trans | -70.3 | 118.8 | 178.2 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | E776 I777 R778 | S774-E776 PolarHBondContact O-N 3.05Å; S774-I777 PolarHBondContact O-N 3.26Å; S774-R778 VanDerWaalsContact O-CG 3.26Å; S774-R778 WeakPolarHBondContact O-CG 3.19Å; S774-R778 PolarHBondContact O-N 3.48Å; S774-R778 VanDerWaalsContact O-N 3.11Å | ||
| 775 | H | 74.1 | Confident | 74.8 | Confident | 126 Ų | 126 | 45.8 Ų | 45.8 | 58% | 0.583 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -59.3 | -31.1 | 176.4 | -73.5 | -72.4 | 0 | 0 | 0 | 112.7 | Q773 R779 | Q773-H775 PolarHBondContact O-N 3.49Å; H775-R779 VanDerWaalsContact O-CB 3.28Å; H775-R779 WeakPolarHBondContact O-CB 3.16Å; H775-R779 PolarHBondContact O-N 3.35Å |
| 776 | E | 72.4 | Confident | 75.3 | Confident | 128 Ų | 128 | 45.8 Ų | 45.8 | 60% | 0.598 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -70.3 | -45.5 | -179.8 | -65.8 | -173.4 | 167.9 | 0 | 0 | 112.1 | S774 R779 E780 | S774-E776 PolarHBondContact O-N 3.05Å; E776-R779 PolarHBondContact O-N 3.3Å; E776-E780 PolarHBondContact O-N 3.41Å |
| 777 | I | 75.9 | Confident | 75.7 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -48.8 | 176.4 | -64.3 | 176.8 | 0 | 0 | 0 | 109.3 | A735 L738 E772 S774 R779 E780 V781 | A735-I777 HydrophobicContact CB-CG1 4.07Å; L738-I777 HydrophobicContact CD1-CG2 3.77Å; E772-I777 HydrophobicContact CB-CG2 4.38Å; E772-I777 HydrophobicContact CG-CG2 4.15Å; S774-I777 PolarHBondContact O-N 3.26Å; I777-R779 VanDerWaalsContact C-N 3.3Å; I777-R779 PolarHBondContact O-N 3.2Å; I777-E780 PolarHBondContact O-N 3.45Å; I777-E780 VanDerWaalsContact O-N 3.16Å; I777-V781 HydrophobicContact CG2-CG2 4.36Å; I777-V781 WeakPolarHBondContact O-CG2 3.34Å; I777-V781 PolarHBondContact O-N 3.03Å |
| 778 | R | 79.4 | Confident | 76.2 | Confident | 33 Ų | 33 | 41 Ų | 41 | 13% | 0.125 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.8 | -41.1 | 179.1 | -64.9 | 168.7 | 75.3 | 101.9 | 10.4 | 111.8 | L769 E772 S774 V781 I782 D1459 T1463 | L769-R778 HydrophobicContact CD2-CB 3.99Å; L769-R778 HydrophobicContact CD2-CG 4.32Å; L769-R778 PolarHBondContact O-NH1 2.91Å; L769-R778 PolarHBondContact O-NH2 3.08Å; E772-R778 HydrophobicContact CB-CG 4.45Å; E772-R778 WeakPolarHBondContact O-CD 3.48Å; E772-R778 PolarHBondContact O-NH1 3.22Å; S774-R778 VanDerWaalsContact O-CG 3.26Å; S774-R778 WeakPolarHBondContact O-CG 3.19Å; S774-R778 PolarHBondContact O-N 3.48Å; S774-R778 VanDerWaalsContact O-N 3.11Å; R778-V781 PolarHBondContact O-N 3.13Å; R778-I782 WeakPolarHBondContact O-CG1 3.46Å; R778-I782 PolarHBondContact O-N 3.43Å; R778-D1459 IonicContact CZ-OD1 3.04Å; R778-D1459 IonicContact CZ-OD2 2.71Å; R778-D1459 IonicContact NE-OD1 3.2Å; R778-D1459 PolarHBondContact NE-OD1 3.29Å; R778-D1459 IonicContact NE-OD2 3.76Å; R778-D1459 PolarHBondContact NE-OD2 3.25Å; R778-D1459 IonicContact NH2-OD1 3.67Å; R778-D1459 PolarHBondContact NH2-OD1 2.89Å; R778-D1459 IonicContact NH2-OD2 3.76Å; R778-D1459 PolarHBondContact NH2-OD2 2.74Å; R778-T1463 PolarHBondContact NH2-OG1 3.4Å |
| 779 | R | 84.1 | Confident | 76.6 | Confident | 70 Ų | 70 | 40.5 Ų | 40.5 | 26% | 0.264 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 176.2 | -171.7 | -174.4 | -64.1 | 164.1 | 3.7 | 112.2 | H775 E776 I777 I782 R783 R1455 D1456 | H775-R779 VanDerWaalsContact O-CB 3.28Å; H775-R779 WeakPolarHBondContact O-CB 3.16Å; H775-R779 PolarHBondContact O-N 3.35Å; E776-R779 PolarHBondContact O-N 3.3Å; I777-R779 VanDerWaalsContact C-N 3.3Å; I777-R779 PolarHBondContact O-N 3.2Å; R779-I782 PolarHBondContact O-N 3.01Å; R779-R783 WeakPolarHBondContact O-CB 3.13Å; R779-R783 PolarHBondContact O-N 3.2Å; R779-R1455 HydrophobicContact CG-CB 4.24Å; R779-D1456 IonicContact CZ-OD1 3.71Å; R779-D1456 VanDerWaalsContact CZ-OD1 3.31Å; R779-D1456 IonicContact CZ-OD2 2.69Å; R779-D1456 IonicContact NE-OD1 3.81Å; R779-D1456 PolarHBondContact NE-OD1 3.29Å; R779-D1456 IonicContact NE-OD2 3.98Å; R779-D1456 IonicContact NH2-OD1 2.62Å; R779-D1456 PolarHBondContact NH2-OD1 2.9Å; R779-D1456 IonicContact NH2-OD2 2.91Å; R779-D1456 PolarHBondContact NH2-OD2 3.45Å |
| 780 | E | 80.8 | Confident | 77.1 | Confident | 31 Ų | 31 | 40.6 Ų | 40.6 | 15% | 0.145 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.7 | -33 | 176.7 | -76.4 | -63.4 | 147.1 | 0 | 0 | 112.1 | L738 E776 I777 R783 L784 | L738-E780 HydrophobicContact CB-CB 4.31Å; E776-E780 PolarHBondContact O-N 3.41Å; I777-E780 PolarHBondContact O-N 3.45Å; I777-E780 VanDerWaalsContact O-N 3.16Å; E780-R783 WeakPolarHBondContact O-CB 3.43Å; E780-R783 PolarHBondContact O-N 3.38Å; E780-R783 IonicContact OE1-NH1 3.22Å; E780-R783 PolarHBondContact OE1-NH1 3.17Å; E780-R783 VanDerWaalsContact OE2-CD 3.3Å; E780-R783 WeakPolarHBondContact OE2-CD 3.22Å; E780-R783 IonicContact OE2-NH1 2.68Å; E780-L784 VanDerWaalsContact O-CB 3.31Å; E780-L784 WeakPolarHBondContact O-CB 3.24Å; E780-L784 PolarHBondContact O-N 3.16Å |
| 781 | V | 83.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 169.9 | 176 | 0 | 0 | 0 | 0 | 110.9 | L738 L765 L768 L769 I777 R778 R783 L784 V785 | L738-V781 HydrophobicContact CD1-CG2 3.56Å; L738-V781 HydrophobicContact CD2-CG2 4.33Å; L765-V781 HydrophobicContact CB-CG1 4.04Å; L765-V781 HydrophobicContact CD2-CG1 4.33Å; L765-V781 WeakPolarHBondContact O-CG1 3.44Å; L768-V781 HydrophobicContact CB-CG2 4.22Å; L768-V781 HydrophobicContact CD1-CG2 4.39Å; L769-V781 HydrophobicContact CD1-CG1 4.01Å; L769-V781 HydrophobicContact CD2-CB 4Å; L769-V781 HydrophobicContact CD2-CG1 3.92Å; L769-V781 HydrophobicContact CG-CB 4.3Å; L769-V781 HydrophobicContact CG-CG1 3.68Å; I777-V781 HydrophobicContact CG2-CG2 4.36Å; I777-V781 WeakPolarHBondContact O-CG2 3.34Å; I777-V781 PolarHBondContact O-N 3.03Å; R778-V781 PolarHBondContact O-N 3.13Å; V781-R783 VanDerWaalsContact C-N 3.28Å; V781-R783 PolarHBondContact O-N 3.43Å; V781-L784 PolarHBondContact O-N 3.45Å; V781-V785 HydrophobicContact CG1-CG2 4.24Å; V781-V785 WeakPolarHBondContact O-CB 3.29Å; V781-V785 VanDerWaalsContact O-CG2 3.25Å; V781-V785 WeakPolarHBondContact O-CG2 3.24Å; V781-V785 PolarHBondContact O-N 3.33Å |
| 782 | I | 86.4 | Confident | 78.4 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | 176.8 | -69.2 | 167.9 | 0 | 0 | 0 | 110.5 | L769 R778 R779 V785 G786 R1455 D1459 V1480 | L769-I782 HydrophobicContact CD1-CG1 4.43Å; L769-I782 HydrophobicContact CD2-CD1 4.34Å; L769-I782 HydrophobicContact CD2-CG1 3.92Å; R778-I782 WeakPolarHBondContact O-CG1 3.46Å; R778-I782 PolarHBondContact O-N 3.43Å; R779-I782 PolarHBondContact O-N 3.01Å; I782-V785 PolarHBondContact O-N 3.37Å; I782-G786 PolarHBondContact O-N 3.32Å; I782-R1455 HydrophobicContact CG2-CB 4.23Å; I782-R1455 HydrophobicContact CG2-CG 4.02Å; I782-D1459 HydrophobicContact CD1-CB 3.61Å; I782-V1480 HydrophobicContact CG2-CB 4.4Å; I782-V1480 HydrophobicContact CG2-CG1 3.62Å; I782-V1480 HydrophobicContact CG2-CG2 3.83Å; I782-V1480 WeakPolarHBondContact O-CG1 3.47Å |
| 783 | R | 86.9 | Confident | 78.7 | Confident | 28 Ų | 28 | 32.7 Ų | 32.7 | 11% | 0.106 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 176.2 | -172.7 | -171.3 | -166.3 | 167.8 | 4.8 | 111.8 | R779 E780 V781 G786 L787 E1487 | R779-R783 WeakPolarHBondContact O-CB 3.13Å; R779-R783 PolarHBondContact O-N 3.2Å; E780-R783 WeakPolarHBondContact O-CB 3.43Å; E780-R783 PolarHBondContact O-N 3.38Å; E780-R783 IonicContact OE1-NH1 3.22Å; E780-R783 PolarHBondContact OE1-NH1 3.17Å; E780-R783 VanDerWaalsContact OE2-CD 3.3Å; E780-R783 WeakPolarHBondContact OE2-CD 3.22Å; E780-R783 IonicContact OE2-NH1 2.68Å; V781-R783 VanDerWaalsContact C-N 3.28Å; V781-R783 PolarHBondContact O-N 3.43Å; R783-G786 PolarHBondContact O-N 3.15Å; R783-L787 HydrophobicContact CG-CD1 4.38Å; R783-L787 WeakPolarHBondContact O-CG 3.5Å; R783-L787 PolarHBondContact O-N 2.87Å; R783-E1487 IonicContact CZ-OE1 3.57Å; R783-E1487 IonicContact CZ-OE2 3.67Å; R783-E1487 IonicContact NE-OE1 2.98Å; R783-E1487 IonicContact NE-OE2 2.84Å; R783-E1487 PolarHBondContact NE-OE2 3.16Å; R783-E1487 IonicContact NH2-OE1 3.54Å; R783-E1487 IonicContact NH2-OE2 3.44Å; R783-E1487 PolarHBondContact NH2-OE2 3.39Å |
| 784 | L | 83.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 178.6 | 176.9 | 60.6 | 0 | 0 | 0 | 111.5 | L738 L741 S742 I745 L765 E780 V781 G786 L787 I788 | L738-L784 HydrophobicContact CD2-CD2 3.87Å; L741-L784 HydrophobicContact CD2-CD1 3.92Å; L741-L784 HydrophobicContact CD2-CD2 3.56Å; L741-L784 HydrophobicContact CD2-CG 4.38Å; L741-L784 HydrophobicContact CG-CD1 4.5Å; S742-L784 WeakPolarHBondContact OG-CB 3.4Å; I745-L784 HydrophobicContact CD1-CD1 3.53Å; L765-L784 HydrophobicContact CD1-CD2 3.57Å; L765-L784 HydrophobicContact CD1-CG 3.91Å; L765-L784 HydrophobicContact CD2-CD2 3.51Å; L765-L784 HydrophobicContact CG-CD2 4.19Å; E780-L784 VanDerWaalsContact O-CB 3.31Å; E780-L784 WeakPolarHBondContact O-CB 3.24Å; E780-L784 PolarHBondContact O-N 3.16Å; V781-L784 PolarHBondContact O-N 3.45Å; L784-G786 VanDerWaalsContact C-N 3.26Å; L784-G786 PolarHBondContact O-N 3.09Å; L784-L787 PolarHBondContact O-N 3.41Å; L784-L787 VanDerWaalsContact O-N 3.16Å; L784-I788 HydrophobicContact CD1-CD1 4.3Å; L784-I788 HydrophobicContact CD1-CG1 4.47Å; L784-I788 HydrophobicContact CG-CD1 4.15Å; L784-I788 WeakPolarHBondContact O-CB 3.41Å; L784-I788 VanDerWaalsContact O-CG1 3.29Å; L784-I788 WeakPolarHBondContact O-CG1 3.31Å; L784-I788 PolarHBondContact O-N 3.48Å |
| 785 | V | 82.1 | Confident | 78.9 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.6 | -39.5 | 175.3 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | L765 V781 I782 G789 M1477 | L765-V785 HydrophobicContact CB-CG2 4.15Å; L765-V785 HydrophobicContact CD1-CG2 4.16Å; V781-V785 HydrophobicContact CG1-CG2 4.24Å; V781-V785 WeakPolarHBondContact O-CB 3.29Å; V781-V785 VanDerWaalsContact O-CG2 3.25Å; V781-V785 WeakPolarHBondContact O-CG2 3.24Å; V781-V785 PolarHBondContact O-N 3.33Å; I782-V785 PolarHBondContact O-N 3.37Å; V785-G789 PolarHBondContact O-N 3.42Å; V785-M1477 HydrophobicContact CG1-CE 3.07Å; V785-M1477 HydrophobicContact CG1-SD 3.75Å |
| 786 | G | 83.9 | Confident | 78.7 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.8 | -39.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | I782 R783 L784 G789 S1484 | I782-G786 PolarHBondContact O-N 3.32Å; R783-G786 PolarHBondContact O-N 3.15Å; L784-G786 VanDerWaalsContact C-N 3.26Å; L784-G786 PolarHBondContact O-N 3.09Å; G786-G789 WeakPolarHBondContact O-CA 3.39Å; G786-G789 PolarHBondContact O-N 3.27Å; G786-S1484 WeakPolarHBondContact CA-OG 3.38Å; G786-S1484 PolarHBondContact O-OG 2.83Å |
| 787 | L | 81.8 | Confident | 78.3 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.4 | -38.2 | 177.1 | -73.4 | 169.4 | 0 | 0 | 0 | 112.4 | K746 R783 L784 E1488 R1509 | K746-L787 HydrophobicContact CB-CD1 4.3Å; K746-L787 HydrophobicContact CB-CD2 4.22Å; K746-L787 HydrophobicContact CD-CD2 4.31Å; K746-L787 HydrophobicContact CG-CD2 4.24Å; R783-L787 HydrophobicContact CG-CD1 4.38Å; R783-L787 WeakPolarHBondContact O-CG 3.5Å; R783-L787 PolarHBondContact O-N 2.87Å; L784-L787 PolarHBondContact O-N 3.41Å; L784-L787 VanDerWaalsContact O-N 3.16Å; L787-E1488 HydrophobicContact CD2-CG 4.48Å; L787-E1488 WeakPolarHBondContact CD2-OE1 3.28Å; L787-R1509 VanDerWaalsContact O-CZ 3.32Å; L787-R1509 PolarHBondContact O-NE 3.18Å; L787-R1509 PolarHBondContact O-NH2 3.04Å |
| 788 | I | 78.7 | Confident | 77.7 | Confident | 11 Ų | 11 | 27.3 Ų | 27.3 | 6% | 0.056 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.1 | -53.5 | 169.7 | -72.8 | 173.5 | 0 | 0 | 0 | 108.4 | M752 L765 L784 | M752-I788 HydrophobicContact CE-CG2 3.27Å; M752-I788 VanDerWaalsContact SD-C 3.56Å; M752-I788 HydrophobicContact SD-CB 4.23Å; M752-I788 HydrophobicContact SD-CG2 3.16Å; M752-I788 WeakPolarHBondContact SD-CG2 3.47Å; L765-I788 HydrophobicContact CD1-CD1 3.82Å; L784-I788 HydrophobicContact CD1-CD1 4.3Å; L784-I788 HydrophobicContact CD1-CG1 4.47Å; L784-I788 HydrophobicContact CG-CD1 4.15Å; L784-I788 WeakPolarHBondContact O-CB 3.41Å; L784-I788 VanDerWaalsContact O-CG1 3.29Å; L784-I788 WeakPolarHBondContact O-CG1 3.31Å; L784-I788 PolarHBondContact O-N 3.48Å |
| 789 | G | 78 | Confident | 76.9 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | trans | 110.4 | 159.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V785 G786 L791 | V785-G789 PolarHBondContact O-N 3.42Å; G786-G789 WeakPolarHBondContact O-CA 3.39Å; G786-G789 PolarHBondContact O-N 3.27Å; G789-L791 PolarHBondContact O-N 3.42Å | ||
| 790 | A | 82.1 | Confident | 75.6 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 2% | 0.017 | 12% | 0.115 | C | C | . | . | trans | -71.8 | 113.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y1474 M1477 V1478 C1513 | A790-Y1474 HydrophobicContact CB-CE2 3.88Å; A790-M1477 HydrophobicContact CB-CB 4.07Å; A790-V1478 HydrophobicContact CB-CG2 3.89Å; A790-C1513 WeakPolarHBondContact O-CA 3.34Å | ||
| 791 | L | 78.6 | Confident | 73.9 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | trans | -90.5 | 136.7 | -174.8 | -149.5 | 127.2 | 0 | 0 | 0 | 110.2 | M752 G789 P793 K795 E796 Y799 Y1470 Y1474 | M752-L791 HydrophobicContact CE-CD1 2.97Å; M752-L791 HydrophobicContact CE-CG 4.41Å; M752-L791 HydrophobicContact CG-CD1 4.18Å; M752-L791 HydrophobicContact SD-CD1 3.62Å; G789-L791 PolarHBondContact O-N 3.42Å; L791-P793 WeakPolarHBondContact O-CD 3.32Å; L791-P793 VanDerWaalsContact O-N 3.16Å; L791-K795 HydrophobicContact CD2-CB 3.58Å; L791-E796 VanDerWaalsContact CD2-CA 3.48Å; L791-E796 HydrophobicContact CD2-CB 3.7Å; L791-Y799 HydrophobicContact CD1-CE2 4.39Å; L791-Y799 HydrophobicContact CD2-CD2 3.98Å; L791-Y799 HydrophobicContact CD2-CE2 3.9Å; L791-Y1470 PolarHBondContact N-OH 3.36Å; L791-Y1470 VanDerWaalsContact O-CE1 3.28Å; L791-Y1470 WeakPolarHBondContact O-CE1 3.47Å; L791-Y1470 PolarHBondContact O-OH 3.13Å; L791-Y1474 WeakPolarHBondContact O-CD2 3.35Å; L791-Y1474 WeakPolarHBondContact O-CE2 3.48Å | ||
| 792 | D | 75.6 | Confident | 71.9 | Confident | 21 Ų | 21 | 34.3 Ų | 34.3 | 11% | 0.112 | 17% | 0.165 | C | C | . | . | trans | -53 | 124.5 | 173.4 | -175.3 | -26.3 | 0 | 0 | 0 | 110 | Y794 K795 E796 D1512 Q1514 | D792-Y794 PolarHBondContact O-N 3.28Å; D792-Y794 WeakPolarHBondContact OD1-CB 3.26Å; D792-Y794 PolarHBondContact OD1-N 3.2Å; D792-K795 HydrophobicContact CB-CB 4.2Å; D792-K795 HydrophobicContact CB-CD 4.15Å; D792-K795 HydrophobicContact CB-CG 3.99Å; D792-K795 WeakPolarHBondContact O-CA 3.26Å; D792-K795 WeakPolarHBondContact O-CB 3.44Å; D792-K795 PolarHBondContact O-N 2.98Å; D792-E796 PolarHBondContact O-N 3.18Å; D792-D1512 PolarHBondContact N-O 3.29Å; D792-Q1514 HydrophobicContact CB-CB 4.49Å | ||
| 793 | P | 71.7 | Confident | 69.5 | Low | 12 Ų | 12 | 39.2 Ų | 39.2 | 8% | 0.078 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -52.3 | -28.6 | 179.5 | -27.7 | 34.7 | 0 | 0 | 0 | 113.8 | L791 R797 Y1470 Y1474 | L791-P793 WeakPolarHBondContact O-CD 3.32Å; L791-P793 VanDerWaalsContact O-N 3.16Å; P793-R797 WeakPolarHBondContact O-CG 2.83Å; P793-R797 PolarHBondContact O-N 3.28Å; P793-Y1470 HydrophobicContact CG-CD1 4.48Å; P793-Y1474 HydrophobicContact CG-CD2 3.96Å; P793-Y1474 HydrophobicContact CG-CG 4.06Å |
| 794 | Y | 68.5 | Low | 66.7 | Low | 64 Ų | 64 | 38.7 Ų | 38.7 | 25% | 0.251 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -69 | -42.6 | 174.2 | -176.6 | -90.6 | 0 | 0 | 0 | 112.3 | D792 Q798 C2018 N2021 | D792-Y794 PolarHBondContact O-N 3.28Å; D792-Y794 WeakPolarHBondContact OD1-CB 3.26Å; D792-Y794 PolarHBondContact OD1-N 3.2Å; Y794-Q798 PolarHBondContact O-N 2.88Å; Y794-Q798 VanDerWaalsContact O-N 3.08Å; Y794-C2018 PolarHBondContact OH-O 3.5Å; Y794-N2021 HydrophobicContact CE2-CB 4.35Å |
| 795 | K | 69.1 | Low | 64.1 | Low | 48 Ų | 48 | 41.9 Ų | 41.9 | 21% | 0.209 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69 | -37.1 | 178.2 | -67.8 | -175.4 | -176.7 | -173.7 | 0 | 111.1 | L791 D792 Q798 Y799 Q1511 D1512 | L791-K795 HydrophobicContact CD2-CB 3.58Å; D792-K795 HydrophobicContact CB-CB 4.2Å; D792-K795 HydrophobicContact CB-CD 4.15Å; D792-K795 HydrophobicContact CB-CG 3.99Å; D792-K795 WeakPolarHBondContact O-CA 3.26Å; D792-K795 WeakPolarHBondContact O-CB 3.44Å; D792-K795 PolarHBondContact O-N 2.98Å; K795-Q798 WeakPolarHBondContact O-CB 3.37Å; K795-Q798 PolarHBondContact O-N 2.64Å; K795-Q798 VanDerWaalsContact O-N 3.15Å; K795-Y799 HydrophobicContact CB-CE2 3.9Å; K795-Y799 WeakPolarHBondContact O-CD2 3.31Å; K795-Y799 VanDerWaalsContact O-CG 3.32Å; K795-Y799 PolarHBondContact O-N 3.13Å; K795-Q1511 PolarHBondContact NZ-O 3.41Å; K795-D1512 IonicContact NZ-OD1 3.11Å; K795-D1512 PolarHBondContact NZ-OD1 3.4Å |
| 796 | E | 70.4 | Confident | 61.5 | Low | 43 Ų | 43 | 45 Ų | 45 | 20% | 0.201 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59 | -51.1 | 176.9 | -177.9 | -77.9 | 138.6 | 0 | 0 | 110.1 | L762 L791 D792 Q798 Y799 S800 Y1470 | L762-E796 HydrophobicContact CD2-CG 4.21Å; L791-E796 VanDerWaalsContact CD2-CA 3.48Å; L791-E796 HydrophobicContact CD2-CB 3.7Å; D792-E796 PolarHBondContact O-N 3.18Å; E796-Q798 VanDerWaalsContact C-N 3.26Å; E796-Q798 PolarHBondContact O-N 3.47Å; E796-Y799 PolarHBondContact O-N 3.48Å; E796-Y799 VanDerWaalsContact O-N 3.17Å; E796-S800 WeakPolarHBondContact O-CB 3.41Å; E796-S800 PolarHBondContact O-N 3.24Å; E796-S800 PolarHBondContact OE1-OG 2.98Å; E796-Y1470 HydrophobicContact CB-CD1 4.34Å; E796-Y1470 HydrophobicContact CB-CE1 4.37Å; E796-Y1470 HydrophobicContact CG-CD1 4.17Å; E796-Y1470 HydrophobicContact CG-CE1 4.43Å; E796-Y1470 HydrophobicContact CG-CG 4.39Å |
| 797 | R | 64.4 | Low | 59 | Low | 100 Ų | 100 | 46.3 Ų | 46.3 | 38% | 0.377 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.6 | -39.2 | 174.4 | -69.3 | 178.2 | -155 | -158 | -1 | 112.4 | P793 S800 C801 E2117 | P793-R797 WeakPolarHBondContact O-CG 2.83Å; P793-R797 PolarHBondContact O-N 3.28Å; R797-S800 PolarHBondContact O-N 3.47Å; R797-C801 WeakPolarHBondContact O-CB 3.37Å; R797-C801 PolarHBondContact O-N 2.82Å; R797-C801 PolarHBondContact O-SG 2.88Å; R797-E2117 IonicContact CZ-OE1 3.78Å; R797-E2117 IonicContact NH1-OE1 3.55Å; R797-E2117 PolarHBondContact NH1-OE1 2.92Å; R797-E2117 IonicContact NH1-OE2 3.31Å; R797-E2117 IonicContact NH2-OE1 2.82Å; R797-E2117 PolarHBondContact NH2-OE1 3.21Å |
| 798 | Q | 63.7 | Low | 56.6 | Low | 95 Ų | 95 | 50 Ų | 50 | 44% | 0.444 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 179.8 | -161.6 | 177.9 | 15.6 | 0 | 0 | 111.9 | Y794 K795 E796 Q802 | Y794-Q798 PolarHBondContact O-N 2.88Å; Y794-Q798 VanDerWaalsContact O-N 3.08Å; K795-Q798 WeakPolarHBondContact O-CB 3.37Å; K795-Q798 PolarHBondContact O-N 2.64Å; K795-Q798 VanDerWaalsContact O-N 3.15Å; E796-Q798 VanDerWaalsContact C-N 3.26Å; E796-Q798 PolarHBondContact O-N 3.47Å; Q798-Q802 PolarHBondContact O-N 3.34Å |
| 799 | Y | 62.5 | Low | 54.5 | Low | 32 Ų | 32 | 52.6 Ų | 52.6 | 13% | 0.125 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.1 | -41 | 176.2 | -57.4 | -43.3 | 0 | 0 | 0 | 111.8 | K756 L791 K795 E796 C801 | K756-Y799 HydrophobicContact CD-CE1 4.12Å; K756-Y799 WeakPolarHBondContact CE-OH 3.4Å; K756-Y799 HydrophobicContact CG-CD1 3.98Å; K756-Y799 HydrophobicContact CG-CE1 3.57Å; K756-Y799 HydrophobicContact CG-CE2 4.24Å; L791-Y799 HydrophobicContact CD1-CE2 4.39Å; L791-Y799 HydrophobicContact CD2-CD2 3.98Å; L791-Y799 HydrophobicContact CD2-CE2 3.9Å; K795-Y799 HydrophobicContact CB-CE2 3.9Å; K795-Y799 WeakPolarHBondContact O-CD2 3.31Å; K795-Y799 VanDerWaalsContact O-CG 3.32Å; K795-Y799 PolarHBondContact O-N 3.13Å; E796-Y799 PolarHBondContact O-N 3.48Å; E796-Y799 VanDerWaalsContact O-N 3.17Å; Y799-C801 PolarHBondContact O-N 3.48Å |
| 800 | S | 55 | Low | 52.5 | Low | 26 Ų | 26 | 54.8 Ų | 54.8 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -37 | 174.6 | -77.9 | 0 | 0 | 0 | 0 | 112.9 | E796 R797 | E796-S800 WeakPolarHBondContact O-CB 3.41Å; E796-S800 PolarHBondContact O-N 3.24Å; E796-S800 PolarHBondContact OE1-OG 2.98Å; R797-S800 PolarHBondContact O-N 3.47Å |
| 801 | C | 45.9 | Very low | 50.3 | Low | 77 Ų | 77 | 55.4 Ų | 55.4 | 52% | 0.52 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -77 | -19.3 | -177.5 | -72.7 | 0 | 0 | 0 | 0 | 114.4 | R797 Y799 N803 | R797-C801 WeakPolarHBondContact O-CB 3.37Å; R797-C801 PolarHBondContact O-N 2.82Å; R797-C801 PolarHBondContact O-SG 2.88Å; Y799-C801 PolarHBondContact O-N 3.48Å; C801-N803 VanDerWaalsContact C-N 3.27Å; C801-N803 PolarHBondContact O-N 3.29Å |
| 802 | Q | 41.8 | Very low | 48.8 | Very low | 146 Ų | 146 | 56 Ų | 56 | 68% | 0.682 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -22.7 | -179.6 | -84.2 | -176.9 | -9.3 | 0 | 0 | 113.3 | Q798 | Q798-Q802 PolarHBondContact O-N 3.34Š|
| 803 | N | 34.6 | Very low | 47.2 | Very low | 105 Ų | 105 | 55 Ų | 55 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | -6.4 | 177.9 | -79.2 | -8.3 | 0 | 0 | 0 | 114.2 | C801 | C801-N803 VanDerWaalsContact C-N 3.27Å; C801-N803 PolarHBondContact O-N 3.29Å |
| 804 | S | 29.9 | Very low | 46 | Very low | 17 Ų | 17 | 54.6 Ų | 54.6 | 12% | 0.119 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -152.6 | 123.4 | -174.2 | -36 | 0 | 0 | 0 | 0 | 110.9 | A806 K820 | S804-A806 PolarHBondContact O-N 2.9Å; S804-K820 PolarHBondContact OG-NZ 3.2Å |
| 805 | G | 27.2 | Very low | 45 | Very low | 66 Ų | 66 | 53.7 Ų | 53.7 | 68% | 0.68 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -64.1 | 104.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S807 | G805-S807 PolarHBondContact O-N 3.18Å; G805-S807 PolarHBondContact O-OG 3.21Å |
| 806 | A | 27.2 | Very low | 43.9 | Very low | 70 Ų | 70 | 52.3 Ų | 52.3 | 58% | 0.579 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 56.9 | 10.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | S804 | S804-A806 PolarHBondContact O-N 2.9Š|
| 807 | S | 33.3 | Very low | 42.8 | Very low | 27 Ų | 27 | 51.5 Ų | 51.5 | 19% | 0.189 | 31% | 0.31 | C | S | . | . | trans | -109.1 | 0.9 | -174.1 | 6.4 | 0 | 0 | 0 | 0 | 118.9 | G805 S809 D824 | G805-S807 PolarHBondContact O-N 3.18Å; G805-S807 PolarHBondContact O-OG 3.21Å; S807-S809 VanDerWaalsContact C-N 3.35Å; S807-S809 PolarHBondContact O-N 3.36Å; S807-D824 WeakPolarHBondContact CB-OD1 3.15Å; S807-D824 PolarHBondContact OG-OD1 3.09Å | ||
| 808 | N | 30.2 | Very low | 41.7 | Very low | 78 Ų | 78 | 51.8 Ų | 51.8 | 42% | 0.417 | 32% | 0.315 | S | S | . | . | trans | -87.7 | 20.1 | -172.1 | -78.7 | 12.2 | 0 | 0 | 0 | 116.7 | ||||
| 809 | S | 34.1 | Very low | 40.9 | Very low | 66 Ų | 66 | 49.9 Ų | 49.9 | 46% | 0.462 | 31% | 0.306 | S | S | . | . | trans | -121.6 | 55.2 | 172.7 | 65.9 | 0 | 0 | 0 | 0 | 111.4 | S807 G811 | S807-S809 VanDerWaalsContact C-N 3.35Å; S807-S809 PolarHBondContact O-N 3.36Å; S809-G811 VanDerWaalsContact C-N 3.26Å; S809-G811 PolarHBondContact O-N 2.78Å | ||
| 810 | T | 37.1 | Very low | 39.9 | Very low | 51 Ų | 51 | 53.9 Ų | 53.9 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | trans | -91.1 | 64.4 | 169.5 | 50.4 | 0 | 0 | 0 | 0 | 110.5 | L812 I827 | T810-L812 VanDerWaalsContact CB-CD1 3.45Å; T810-L812 HydrophobicContact CG2-CD1 3.66Å; T810-L812 HydrophobicContact CG2-CG 4.03Å; T810-L812 PolarHBondContact O-N 3.27Å; T810-I827 HydrophobicContact CG2-CD1 3.76Å | ||
| 811 | G | 35.3 | Very low | 39.3 | Very low | 15 Ų | 15 | 55.1 Ų | 55.1 | 16% | 0.155 | 34% | 0.341 | C | S | . | . | trans | -65.6 | 84.1 | 148.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | S809 S2111 | S809-G811 VanDerWaalsContact C-N 3.26Å; S809-G811 PolarHBondContact O-N 2.78Å; G811-S2111 WeakPolarHBondContact O-CB 3.47Å; G811-S2111 PolarHBondContact O-OG 2.71Å | ||
| 812 | L | 46.1 | Very low | 39.1 | Very low | 16 Ų | 16 | 52.2 Ų | 52.2 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | trans | -105.3 | 140.7 | -170.3 | -94.1 | 165.3 | 0 | 0 | 0 | 109.2 | T810 L814 L816 P2110 | T810-L812 VanDerWaalsContact CB-CD1 3.45Å; T810-L812 HydrophobicContact CG2-CD1 3.66Å; T810-L812 HydrophobicContact CG2-CG 4.03Å; T810-L812 PolarHBondContact O-N 3.27Å; L812-L814 HydrophobicContact CB-CB 4.05Å; L812-L814 WeakPolarHBondContact CB-O 3.49Å; L812-L814 HydrophobicContact CD1-CB 4.28Å; L812-L814 VanDerWaalsContact CD1-O 3.31Å; L812-L814 WeakPolarHBondContact CD1-O 3.48Å; L812-L814 HydrophobicContact CD2-CB 4.08Å; L812-L814 HydrophobicContact CD2-CD1 4.28Å; L812-L814 HydrophobicContact CD2-CG 4.48Å; L812-L814 HydrophobicContact CG-CB 4.41Å; L812-L814 PolarHBondContact O-N 3.41Å; L812-L816 HydrophobicContact CD1-CB 3.97Å; L812-L816 HydrophobicContact CD1-CD1 3.74Å; L812-L816 HydrophobicContact CD1-CG 4.05Å; L812-P2110 HydrophobicContact CD2-CB 3.33Å; L812-P2110 HydrophobicContact CD2-CG 4.36Å; L812-P2110 HydrophobicContact CG-CB 4.4Å | ||
| 813 | A | 43.6 | Very low | 39.1 | Very low | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -60.6 | 5.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1210 E1253 F1254 | A813-N1210 PolarHBondContact O-ND2 3.13Å; A813-E1253 HydrophobicContact CB-CG 4.29Å; A813-F1254 HydrophobicContact CB-CB 4.11Å; A813-F1254 HydrophobicContact CB-CD2 4.4Å |
| 814 | L | 45 | Very low | 39.6 | Very low | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -130.4 | 104.7 | 172.2 | -68.7 | 176.7 | 0 | 0 | 0 | 108.6 | L812 L816 F830 F840 L844 F1254 | L812-L814 HydrophobicContact CB-CB 4.05Å; L812-L814 WeakPolarHBondContact CB-O 3.49Å; L812-L814 HydrophobicContact CD1-CB 4.28Å; L812-L814 VanDerWaalsContact CD1-O 3.31Å; L812-L814 WeakPolarHBondContact CD1-O 3.48Å; L812-L814 HydrophobicContact CD2-CB 4.08Å; L812-L814 HydrophobicContact CD2-CD1 4.28Å; L812-L814 HydrophobicContact CD2-CG 4.48Å; L812-L814 HydrophobicContact CG-CB 4.41Å; L812-L814 PolarHBondContact O-N 3.41Å; L814-L816 VanDerWaalsContact C-N 3.32Å; L814-L816 HydrophobicContact CB-CG 4.16Å; L814-L816 HydrophobicContact CD1-CD1 4.25Å; L814-L816 PolarHBondContact O-N 3.05Å; L814-F830 HydrophobicContact CD1-CB 4.23Å; L814-F830 HydrophobicContact CD1-CD1 3.63Å; L814-F830 HydrophobicContact CD1-CD2 3.11Å; L814-F830 HydrophobicContact CD1-CE1 3.58Å; L814-F830 HydrophobicContact CD1-CE2 3.07Å; L814-F830 HydrophobicContact CD1-CG 3.37Å; L814-F830 HydrophobicContact CD1-CZ 3.3Å; L814-F830 HydrophobicContact CD2-CD2 4.43Å; L814-F830 HydrophobicContact CD2-CE2 3.68Å; L814-F830 HydrophobicContact CD2-CZ 3.92Å; L814-F830 HydrophobicContact CG-CD1 4.5Å; L814-F830 HydrophobicContact CG-CD2 4.1Å; L814-F830 HydrophobicContact CG-CE1 3.97Å; L814-F830 HydrophobicContact CG-CE2 3.52Å; L814-F830 HydrophobicContact CG-CZ 3.43Å; L814-F830 VanDerWaalsContact CG-CZ 3.43Å; L814-F840 HydrophobicContact CD1-CE2 4.31Å; L814-F840 HydrophobicContact CD1-CZ 4.22Å; L814-F840 HydrophobicContact CD2-CE1 4.35Å; L814-F840 HydrophobicContact CD2-CE2 4.43Å; L814-F840 HydrophobicContact CD2-CZ 3.56Å; L814-F840 HydrophobicContact CG-CZ 4.5Å; L814-L844 HydrophobicContact CD2-CD1 4.09Å; L814-L844 HydrophobicContact CD2-CD2 4Å; L814-F1254 HydrophobicContact CD2-CD2 4.08Å; L814-F1254 HydrophobicContact CD2-CE2 3.48Å; L814-F1254 VanDerWaalsContact CD2-CE2 3.48Å; L814-F1254 HydrophobicContact CD2-CZ 4.36Å; L814-F1254 HydrophobicContact CG-CE2 4.22Å |
| 815 | S | 48.2 | Very low | 40.4 | Very low | 45 Ų | 45 | 47 Ų | 47 | 32% | 0.315 | 30% | 0.295 | S | S | . | . | trans | -63.8 | 97.1 | 171 | -40.1 | 0 | 0 | 0 | 0 | 109.1 | N848 D1207 | S815-N848 PolarHBondContact O-OD1 3.17Å; S815-D1207 WeakPolarHBondContact CB-OD1 3.45Å; S815-D1207 WeakPolarHBondContact OG-CA 3.46Å; S815-D1207 PolarHBondContact OG-OD1 3.02Å; S815-D1207 VanDerWaalsContact OG-OD1 3.11Å | ||
| 816 | L | 46.6 | Very low | 41.2 | Very low | 20 Ų | 20 | 43.8 Ų | 43.8 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | trans | -105.5 | 134.6 | 177.4 | -77 | 177.4 | 0 | 0 | 0 | 109 | L812 L814 I826 I827 L844 V847 | L812-L816 HydrophobicContact CD1-CB 3.97Å; L812-L816 HydrophobicContact CD1-CD1 3.74Å; L812-L816 HydrophobicContact CD1-CG 4.05Å; L814-L816 VanDerWaalsContact C-N 3.32Å; L814-L816 HydrophobicContact CB-CG 4.16Å; L814-L816 HydrophobicContact CD1-CD1 4.25Å; L814-L816 PolarHBondContact O-N 3.05Å; L816-I826 HydrophobicContact CD1-CB 4.02Å; L816-I826 HydrophobicContact CD1-CD1 4.36Å; L816-I826 HydrophobicContact CD1-CG2 3.71Å; L816-I826 HydrophobicContact CD2-CD1 3.73Å; L816-I826 HydrophobicContact CD2-CG2 4.03Å; L816-I827 HydrophobicContact CD1-CG1 4.42Å; L816-L844 HydrophobicContact CD2-CD1 3.45Å; L816-L844 VanDerWaalsContact CD2-CD1 3.45Å; L816-L844 HydrophobicContact CG-CD1 4.31Å; L816-V847 HydrophobicContact CD2-CG1 4.28Å | ||
| 817 | P | 46 | Very low | 42.1 | Very low | 26 Ų | 26 | 41.1 Ų | 41.1 | 17% | 0.169 | 24% | 0.238 | C | C | . | . | trans | -71.7 | 143 | 176.7 | 26.9 | -32.1 | 0 | 0 | 0 | 111.7 | Q819 V847 S851 | P817-Q819 PolarHBondContact O-N 3.11Å; P817-V847 HydrophobicContact CG-CG1 3.73Å; P817-S851 WeakPolarHBondContact CB-OG 3.29Å; P817-S851 WeakPolarHBondContact CG-OG 3.49Å | ||
| 818 | E | 43.1 | Very low | 42.6 | Very low | 105 Ų | 105 | 44.3 Ų | 44.3 | 49% | 0.491 | 25% | 0.25 | S | S | . | . | trans | -68.3 | 17.9 | -170.5 | -74.4 | -178.5 | -164 | 0 | 0 | 116.4 | R767 K820 | R767-E818 IonicContact CZ-OE2 2.65Å; R767-E818 VanDerWaalsContact NH1-CD 3.34Å; R767-E818 IonicContact NH1-OE1 3.54Å; R767-E818 IonicContact NH1-OE2 3.16Å; R767-E818 PolarHBondContact NH1-OE2 3.42Å; R767-E818 IonicContact NH2-OE2 2.85Å; E818-K820 PolarHBondContact O-N 2.9Å | ||
| 819 | Q | 45.3 | Very low | 43.3 | Very low | 56 Ų | 56 | 43.6 Ų | 43.6 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | trans | -66.4 | 102.5 | 176.6 | -80.1 | -166.4 | -26.8 | 0 | 0 | 110.6 | P817 G821 I822 A823 | P817-Q819 PolarHBondContact O-N 3.11Å; Q819-G821 PolarHBondContact O-N 2.96Å; Q819-I822 PolarHBondContact O-N 3.45Å; Q819-A823 PolarHBondContact O-N 2.66Å; Q819-A823 VanDerWaalsContact O-N 3.16Å | ||
| 820 | K | 41.5 | Very low | 43.8 | Very low | 115 Ų | 115 | 40.8 Ų | 40.8 | 50% | 0.5 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -22.3 | -168.1 | -71.3 | -176 | 178.9 | -173.3 | 0 | 116.3 | S804 E818 | S804-K820 PolarHBondContact OG-NZ 3.2Å; E818-K820 PolarHBondContact O-N 2.9Å |
| 821 | G | 42.6 | Very low | 44.4 | Very low | 52 Ų | 52 | 39.4 Ų | 39.4 | 54% | 0.536 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -28.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q819 | Q819-G821 PolarHBondContact O-N 2.96Š|
| 822 | I | 41.8 | Very low | 45.2 | Very low | 17 Ų | 17 | 40.8 Ų | 40.8 | 9% | 0.087 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -92.9 | -39.2 | -170.4 | -66.6 | 170.3 | 0 | 0 | 0 | 110.1 | Q819 D824 Q825 I826 V847 I850 Q886 | Q819-I822 PolarHBondContact O-N 3.45Å; I822-D824 VanDerWaalsContact C-N 3.34Å; I822-D824 PolarHBondContact O-N 3.27Å; I822-Q825 PolarHBondContact O-N 3.36Å; I822-I826 HydrophobicContact CG2-CD1 3.78Å; I822-I826 HydrophobicContact CG2-CG1 4.42Å; I822-I826 WeakPolarHBondContact O-CD1 3.06Å; I822-I826 VanDerWaalsContact O-CG1 3.25Å; I822-I826 WeakPolarHBondContact O-CG1 3.31Å; I822-I826 PolarHBondContact O-N 2.85Å; I822-V847 HydrophobicContact CG2-CB 4.26Å; I822-V847 HydrophobicContact CG2-CG1 3.74Å; I822-V847 HydrophobicContact CG2-CG2 3.67Å; I822-I850 HydrophobicContact CD1-CG2 4.45Å; I822-Q886 HydrophobicContact CG1-CG 4.38Å |
| 823 | A | 42.2 | Very low | 45.3 | Very low | 14 Ų | 14 | 43.2 Ų | 43.2 | 12% | 0.116 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.9 | -42.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q819 Q825 I826 I827 | Q819-A823 PolarHBondContact O-N 2.66Å; Q819-A823 VanDerWaalsContact O-N 3.16Å; A823-Q825 PolarHBondContact O-N 3.21Å; A823-I826 PolarHBondContact O-N 2.68Å; A823-I827 WeakPolarHBondContact O-CB 3.4Å; A823-I827 WeakPolarHBondContact O-CD1 3.06Å; A823-I827 WeakPolarHBondContact O-CG1 3.45Å; A823-I827 PolarHBondContact O-N 2.95Å |
| 824 | D | 45 | Very low | 45.6 | Very low | 57 Ų | 57 | 54.3 Ų | 54.3 | 31% | 0.305 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.9 | -35.2 | 178.6 | -79 | -11.6 | 0 | 0 | 0 | 112.7 | S807 I822 Q828 | S807-D824 WeakPolarHBondContact CB-OD1 3.15Å; S807-D824 PolarHBondContact OG-OD1 3.09Å; I822-D824 VanDerWaalsContact C-N 3.34Å; I822-D824 PolarHBondContact O-N 3.27Å; D824-Q828 WeakPolarHBondContact O-CB 3.34Å; D824-Q828 WeakPolarHBondContact O-CG 3.47Å; D824-Q828 PolarHBondContact O-N 2.99Å |
| 825 | Q | 45.9 | Very low | 45.9 | Very low | 86 Ų | 86 | 55.6 Ų | 55.6 | 40% | 0.402 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 173.4 | -74.8 | -176 | -4.7 | 0 | 0 | 111.7 | I822 A823 Q828 W829 | I822-Q825 PolarHBondContact O-N 3.36Å; A823-Q825 PolarHBondContact O-N 3.21Å; Q825-Q828 CarbonylContact O-C 3.58Å; Q825-Q828 WeakPolarHBondContact O-CB 3.29Å; Q825-Q828 PolarHBondContact O-N 3.46Å; Q825-W829 VanDerWaalsContact O-CD1 3.28Å; Q825-W829 VanDerWaalsContact O-CG 3.22Å; Q825-W829 PolarHBondContact O-N 3.38Å |
| 826 | I | 45 | Very low | 46.7 | Very low | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.6 | -37.1 | 178.4 | -57 | 155.1 | 0 | 0 | 0 | 111 | L816 I822 A823 Q828 W829 F830 T843 V847 | L816-I826 HydrophobicContact CD1-CB 4.02Å; L816-I826 HydrophobicContact CD1-CD1 4.36Å; L816-I826 HydrophobicContact CD1-CG2 3.71Å; L816-I826 HydrophobicContact CD2-CD1 3.73Å; L816-I826 HydrophobicContact CD2-CG2 4.03Å; I822-I826 HydrophobicContact CG2-CD1 3.78Å; I822-I826 HydrophobicContact CG2-CG1 4.42Å; I822-I826 WeakPolarHBondContact O-CD1 3.06Å; I822-I826 VanDerWaalsContact O-CG1 3.25Å; I822-I826 WeakPolarHBondContact O-CG1 3.31Å; I822-I826 PolarHBondContact O-N 2.85Å; A823-I826 PolarHBondContact O-N 2.68Å; I826-Q828 PolarHBondContact O-N 3.19Å; I826-W829 CarbonylContact O-C 3.57Å; I826-W829 WeakPolarHBondContact O-CA 3.39Å; I826-W829 PolarHBondContact O-N 3.43Å; I826-F830 WeakPolarHBondContact O-CA 3.22Å; I826-F830 WeakPolarHBondContact O-CB 3.46Å; I826-F830 PolarHBondContact O-N 3.37Å; I826-T843 HydrophobicContact CG1-CG2 3.77Å; I826-T843 HydrophobicContact CG2-CG2 4.14Å; I826-V847 HydrophobicContact CD1-CB 3.63Å; I826-V847 HydrophobicContact CD1-CG1 3.37Å; I826-V847 HydrophobicContact CD1-CG2 3.19Å; I826-V847 HydrophobicContact CG1-CG2 3.9Å |
| 827 | I | 46.8 | Very low | 47.7 | Very low | 14 Ų | 14 | 58.2 Ų | 58.2 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 172.4 | -67.2 | 161.6 | 0 | 0 | 0 | 109.2 | T810 L816 A823 F830 H831 | T810-I827 HydrophobicContact CG2-CD1 3.76Å; L816-I827 HydrophobicContact CD1-CG1 4.42Å; A823-I827 WeakPolarHBondContact O-CB 3.4Å; A823-I827 WeakPolarHBondContact O-CD1 3.06Å; A823-I827 WeakPolarHBondContact O-CG1 3.45Å; A823-I827 PolarHBondContact O-N 2.95Å; I827-F830 PolarHBondContact O-N 3.15Å; I827-H831 PolarHBondContact O-CD2 2.65Å; I827-H831 PolarHBondContact O-N 3.06Å; I827-H831 VanDerWaalsContact O-N 3.14Å |
| 828 | Q | 44 | Very low | 48.8 | Very low | 94 Ų | 94 | 62.6 Ų | 62.6 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 169.8 | -81.4 | -175.8 | 4.6 | 0 | 0 | 113.4 | D824 Q825 I826 | D824-Q828 WeakPolarHBondContact O-CB 3.34Å; D824-Q828 WeakPolarHBondContact O-CG 3.47Å; D824-Q828 PolarHBondContact O-N 2.99Å; Q825-Q828 CarbonylContact O-C 3.58Å; Q825-Q828 WeakPolarHBondContact O-CB 3.29Å; Q825-Q828 PolarHBondContact O-N 3.46Å; I826-Q828 PolarHBondContact O-N 3.19Å |
| 829 | W | 43.7 | Very low | 50 | Low | 62 Ų | 62 | 60.6 Ų | 60.6 | 24% | 0.235 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -77.1 | -26.4 | 174.6 | -64.5 | -6.3 | 0 | 0 | 0 | 112.9 | Q825 I826 H831 T843 Y883 | Q825-W829 VanDerWaalsContact O-CD1 3.28Å; Q825-W829 VanDerWaalsContact O-CG 3.22Å; Q825-W829 PolarHBondContact O-N 3.38Å; I826-W829 CarbonylContact O-C 3.57Å; I826-W829 WeakPolarHBondContact O-CA 3.39Å; I826-W829 PolarHBondContact O-N 3.43Å; W829-H831 PolarHBondContact O-N 3.34Å; W829-T843 HydrophobicContact CE3-CG2 3.35Å; W829-T843 HydrophobicContact CZ3-CG2 3.48Å; W829-T843 VanDerWaalsContact CZ3-CG2 3.48Å; W829-T843 WeakPolarHBondContact CZ3-OG1 3.47Å; W829-Y883 HydrophobicContact CH2-CD1 4.18Å; W829-Y883 AromaticContact CH2-CE1 3.95Å; W829-Y883 HydrophobicContact CH2-CE1 3.95Å; W829-Y883 HydrophobicContact CZ3-CD1 4.13Å; W829-Y883 AromaticContact CZ3-CE1 3.59Å; W829-Y883 HydrophobicContact CZ3-CE1 3.59Å |
| 830 | F | 44.4 | Very low | 51.2 | Low | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -77 | -10.4 | 175.7 | -157.4 | -113.6 | 0 | 0 | 0 | 111.8 | L814 I826 I827 W832 F840 F1254 | L814-F830 HydrophobicContact CD1-CB 4.23Å; L814-F830 HydrophobicContact CD1-CD1 3.63Å; L814-F830 HydrophobicContact CD1-CD2 3.11Å; L814-F830 HydrophobicContact CD1-CE1 3.58Å; L814-F830 HydrophobicContact CD1-CE2 3.07Å; L814-F830 HydrophobicContact CD1-CG 3.37Å; L814-F830 HydrophobicContact CD1-CZ 3.3Å; L814-F830 HydrophobicContact CD2-CD2 4.43Å; L814-F830 HydrophobicContact CD2-CE2 3.68Å; L814-F830 HydrophobicContact CD2-CZ 3.92Å; L814-F830 HydrophobicContact CG-CD1 4.5Å; L814-F830 HydrophobicContact CG-CD2 4.1Å; L814-F830 HydrophobicContact CG-CE1 3.97Å; L814-F830 HydrophobicContact CG-CE2 3.52Å; L814-F830 HydrophobicContact CG-CZ 3.43Å; L814-F830 VanDerWaalsContact CG-CZ 3.43Å; I826-F830 WeakPolarHBondContact O-CA 3.22Å; I826-F830 WeakPolarHBondContact O-CB 3.46Å; I826-F830 PolarHBondContact O-N 3.37Å; I827-F830 PolarHBondContact O-N 3.15Å; F830-W832 AromaticContact CD1-CE2 3.99Å; F830-W832 AromaticContact CD1-CZ2 3.89Å; F830-W832 HydrophobicContact CD1-CZ2 3.89Å; F830-W832 AromaticContact CD1-NE1 3.54Å; F830-W832 AromaticContact CD2-NE1 3.51Å; F830-W832 AromaticContact CE1-CE2 3.84Å; F830-W832 AromaticContact CE1-CZ2 3.62Å; F830-W832 HydrophobicContact CE1-CZ2 3.62Å; F830-W832 AromaticContact CE1-NE1 3.44Å; F830-W832 AromaticContact CE2-NE1 3.4Å; F830-W832 AromaticContact CG-NE1 3.6Å; F830-W832 HydrophobicContact CZ-CZ2 4.26Å; F830-W832 AromaticContact CZ-NE1 3.39Å; F830-W832 PolarHBondContact O-N 3.48Å; F830-W832 PolarHBondContact O-NE1 3.29Å; F830-F840 AromaticContact CD2-CD2 3.94Å; F830-F840 HydrophobicContact CD2-CD2 3.94Å; F830-F840 AromaticContact CD2-CE2 3.28Å; F830-F840 HydrophobicContact CD2-CE2 3.28Å; F830-F840 AromaticContact CD2-CZ 3.76Å; F830-F840 HydrophobicContact CD2-CZ 3.76Å; F830-F840 HydrophobicContact CE2-CD2 4.36Å; F830-F840 HydrophobicContact CE2-CE1 4.22Å; F830-F840 AromaticContact CE2-CE2 3.59Å; F830-F840 HydrophobicContact CE2-CE2 3.59Å; F830-F840 AromaticContact CE2-CZ 3.53Å; F830-F840 HydrophobicContact CE2-CZ 3.53Å; F830-F840 HydrophobicContact CG-CE2 4.5Å; F830-F1254 AromaticContact CE2-CE2 3.73Å; F830-F1254 HydrophobicContact CE2-CE2 3.73Å; F830-F1254 AromaticContact CZ-CD2 3.94Å; F830-F1254 HydrophobicContact CZ-CD2 3.94Å; F830-F1254 AromaticContact CZ-CE2 3.6Å; F830-F1254 HydrophobicContact CZ-CE2 3.6Å |
| 831 | H | 50.6 | Low | 53 | Low | 22 Ų | 22 | 53.3 Ų | 53.3 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -67.6 | 92.4 | 154 | -64.3 | -52.8 | 0 | 0 | 0 | 107.4 | I827 W829 E833 K2108 | I827-H831 PolarHBondContact O-CD2 2.65Å; I827-H831 PolarHBondContact O-N 3.06Å; I827-H831 VanDerWaalsContact O-N 3.14Å; W829-H831 PolarHBondContact O-N 3.34Å; H831-E833 PolarHBondContact O-N 2.89Å; H831-K2108 PolarHBondContact CE1-O 3.37Å; H831-K2108 PolarHBondContact ND1-O 3.36Å |
| 832 | W | 51.5 | Low | 54.6 | Low | 44 Ų | 44 | 51.1 Ų | 51.1 | 17% | 0.167 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 14.7 | -171.8 | -35.8 | -63.1 | 0 | 0 | 0 | 115.7 | F830 H1257 K2058 L2107 | F830-W832 AromaticContact CD1-CE2 3.99Å; F830-W832 AromaticContact CD1-CZ2 3.89Å; F830-W832 HydrophobicContact CD1-CZ2 3.89Å; F830-W832 AromaticContact CD1-NE1 3.54Å; F830-W832 AromaticContact CD2-NE1 3.51Å; F830-W832 AromaticContact CE1-CE2 3.84Å; F830-W832 AromaticContact CE1-CZ2 3.62Å; F830-W832 HydrophobicContact CE1-CZ2 3.62Å; F830-W832 AromaticContact CE1-NE1 3.44Å; F830-W832 AromaticContact CE2-NE1 3.4Å; F830-W832 AromaticContact CG-NE1 3.6Å; F830-W832 HydrophobicContact CZ-CZ2 4.26Å; F830-W832 AromaticContact CZ-NE1 3.39Å; F830-W832 PolarHBondContact O-N 3.48Å; F830-W832 PolarHBondContact O-NE1 3.29Å; W832-H1257 HydrophobicContact CD2-CB 4.04Å; W832-H1257 VanDerWaalsContact CD2-O 3.27Å; W832-H1257 HydrophobicContact CE3-CB 3.92Å; W832-H1257 HydrophobicContact CH2-CB 3.3Å; W832-H1257 AromaticContact CH2-CD2 3.77Å; W832-H1257 AromaticContact CH2-CE1 3.44Å; W832-H1257 VanDerWaalsContact CH2-CE1 3.44Å; W832-H1257 WeakPolarHBondContact CH2-CE1 3.19Å; W832-H1257 AromaticContact CH2-CG 3.03Å; W832-H1257 AromaticContact CH2-ND1 2.84Å; W832-H1257 WeakPolarHBondContact CH2-ND1 3.3Å; W832-H1257 AromaticContact CH2-NE2 3.99Å; W832-H1257 HydrophobicContact CZ2-CB 3.32Å; W832-H1257 AromaticContact CZ2-CD2 3.88Å; W832-H1257 AromaticContact CZ2-CG 3.37Å; W832-H1257 AromaticContact CZ2-ND1 3.7Å; W832-H1257 HydrophobicContact CZ3-CB 3.46Å; W832-H1257 VanDerWaalsContact CZ3-CB 3.46Å; W832-H1257 AromaticContact CZ3-CG 3.54Å; W832-H1257 AromaticContact CZ3-ND1 3.19Å; W832-H1257 WeakPolarHBondContact CZ3-ND1 3.5Å; W832-K2058 PolarHBondContact O-NZ 3.35Å; W832-L2107 HydrophobicContact CE3-CD2 4.28Å; W832-L2107 WeakPolarHBondContact CH2-O 3.28Å; W832-L2107 VanDerWaalsContact CZ3-C 3.45Å; W832-L2107 VanDerWaalsContact CZ3-CA 3.46Å; W832-L2107 HydrophobicContact CZ3-CB 3.88Å; W832-L2107 HydrophobicContact CZ3-CD2 3.74Å; W832-L2107 HydrophobicContact CZ3-CG 4.43Å; W832-L2107 WeakPolarHBondContact CZ3-O 3.41Å |
| 833 | E | 48.6 | Very low | 56.1 | Low | 66 Ų | 66 | 50.3 Ų | 50.3 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -14.3 | 178.9 | -74.1 | 177.3 | 159.2 | 0 | 0 | 113.2 | H831 K2058 K2108 | H831-E833 PolarHBondContact O-N 2.89Å; E833-K2058 HydrophobicContact CG-CD 4.33Å; E833-K2108 WeakPolarHBondContact OE2-CE 3.38Å; E833-K2108 IonicContact OE2-NZ 3.75Å; E833-K2108 PolarHBondContact OE2-NZ 3.43Å |
| 834 | R | 49.2 | Very low | 57.6 | Low | 235 Ų | 235 | 49.7 Ų | 49.7 | 89% | 0.887 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -116.7 | -29.6 | 177.1 | -69.9 | -170.6 | 179.9 | -174.3 | 0.9 | 116.7 | ||
| 835 | C | 51.9 | Low | 59.3 | Low | 30 Ų | 30 | 47 Ų | 47 | 20% | 0.203 | 22% | 0.22 | C | C | . | . | trans | -102.2 | 133.2 | 178.7 | -90.4 | 0 | 0 | 0 | 0 | 111.9 | E839 | C835-E839 HydrophobicContact CB-CB 4.21Å; C835-E839 PolarHBondContact SG-OE2 3.23Å; C835-E839 VanDerWaalsContact SG-OE2 3.41Å | ||
| 836 | S | 65.2 | Low | 60.8 | Low | 55 Ų | 55 | 42.9 Ų | 42.9 | 39% | 0.385 | 20% | 0.201 | S | C | . | . | trans | -70.6 | 157.5 | 164.9 | 60.8 | 0 | 0 | 0 | 0 | 110 | D838 E839 F840 | S836-D838 PolarHBondContact O-N 3.34Å; S836-E839 PolarHBondContact O-N 3.26Å; S836-F840 PolarHBondContact O-N 3.18Å; S836-F840 VanDerWaalsContact O-N 3.1Å | ||
| 837 | L | 67.9 | Low | 62.2 | Low | 64 Ų | 64 | 43 Ų | 43 | 34% | 0.335 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -52 | -31 | 175.2 | -72.8 | 174.2 | 0 | 0 | 0 | 112.1 | E839 F840 F841 | L837-E839 VanDerWaalsContact C-N 3.27Å; L837-E839 PolarHBondContact O-N 3.23Å; L837-F840 PolarHBondContact O-N 2.91Å; L837-F841 HydrophobicContact CB-CD2 4.47Å; L837-F841 HydrophobicContact CB-CE2 3.82Å; L837-F841 HydrophobicContact CB-CZ 4.19Å; L837-F841 HydrophobicContact CD2-CZ 4.07Å; L837-F841 WeakPolarHBondContact O-CD2 3.31Å; L837-F841 WeakPolarHBondContact O-CG 3.29Å; L837-F841 PolarHBondContact O-N 2.88Å |
| 838 | D | 68 | Low | 63.6 | Low | 119 Ų | 119 | 42.5 Ų | 42.5 | 64% | 0.636 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -64 | -25 | 177.3 | -64.6 | -22.6 | 0 | 0 | 0 | 114.2 | S836 P842 | S836-D838 PolarHBondContact O-N 3.34Å; D838-P842 WeakPolarHBondContact O-CD 3.38Å; D838-P842 WeakPolarHBondContact O-CG 3.46Å |
| 839 | E | 69.1 | Low | 65.4 | Low | 62 Ų | 62 | 38 Ų | 38 | 29% | 0.29 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -98 | -28.1 | 176.4 | -70.3 | 172.5 | -179.1 | 0 | 0 | 112.1 | C835 S836 L837 P842 T843 K879 Y883 | C835-E839 HydrophobicContact CB-CB 4.21Å; C835-E839 PolarHBondContact SG-OE2 3.23Å; C835-E839 VanDerWaalsContact SG-OE2 3.41Å; S836-E839 PolarHBondContact O-N 3.26Å; L837-E839 VanDerWaalsContact C-N 3.27Å; L837-E839 PolarHBondContact O-N 3.23Å; E839-P842 WeakPolarHBondContact O-CD 3.48Å; E839-T843 PolarHBondContact O-N 2.88Å; E839-T843 PolarHBondContact O-OG1 2.92Å; E839-K879 IonicContact OE1-NZ 3.46Å; E839-K879 PolarHBondContact OE1-NZ 2.89Å; E839-Y883 PolarHBondContact O-OH 2.78Å |
| 840 | F | 71.1 | Confident | 67 | Low | 10 Ų | 10 | 35.2 Ų | 35.2 | 4% | 0.044 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.5 | -47.3 | 178.4 | 176 | -104.7 | 0 | 0 | 0 | 112.6 | L814 F830 S836 L837 T843 L844 F1254 | L814-F840 HydrophobicContact CD1-CE2 4.31Å; L814-F840 HydrophobicContact CD1-CZ 4.22Å; L814-F840 HydrophobicContact CD2-CE1 4.35Å; L814-F840 HydrophobicContact CD2-CE2 4.43Å; L814-F840 HydrophobicContact CD2-CZ 3.56Å; L814-F840 HydrophobicContact CG-CZ 4.5Å; F830-F840 AromaticContact CD2-CD2 3.94Å; F830-F840 HydrophobicContact CD2-CD2 3.94Å; F830-F840 AromaticContact CD2-CE2 3.28Å; F830-F840 HydrophobicContact CD2-CE2 3.28Å; F830-F840 AromaticContact CD2-CZ 3.76Å; F830-F840 HydrophobicContact CD2-CZ 3.76Å; F830-F840 HydrophobicContact CE2-CD2 4.36Å; F830-F840 HydrophobicContact CE2-CE1 4.22Å; F830-F840 AromaticContact CE2-CE2 3.59Å; F830-F840 HydrophobicContact CE2-CE2 3.59Å; F830-F840 AromaticContact CE2-CZ 3.53Å; F830-F840 HydrophobicContact CE2-CZ 3.53Å; F830-F840 HydrophobicContact CG-CE2 4.5Å; S836-F840 PolarHBondContact O-N 3.18Å; S836-F840 VanDerWaalsContact O-N 3.1Å; L837-F840 PolarHBondContact O-N 2.91Å; F840-T843 WeakPolarHBondContact O-CB 3.24Å; F840-T843 PolarHBondContact O-N 2.81Å; F840-L844 HydrophobicContact CE1-CD2 4.25Å; F840-L844 HydrophobicContact CZ-CB 4.2Å; F840-L844 HydrophobicContact CZ-CD1 4.42Å; F840-L844 HydrophobicContact CZ-CD2 3.97Å; F840-L844 HydrophobicContact CZ-CG 4.43Å; F840-L844 PolarHBondContact O-N 3.36Å; F840-L844 VanDerWaalsContact O-N 3.12Å; F840-F1254 HydrophobicContact CE1-CE2 4.31Å; F840-F1254 AromaticContact CE1-CZ 3.91Å; F840-F1254 HydrophobicContact CE1-CZ 3.91Å; F840-F1254 HydrophobicContact CZ-CE2 4.49Å |
| 841 | F | 78.6 | Confident | 68.3 | Low | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.4 | -45.5 | -176.6 | -58.1 | -53.3 | 0 | 0 | 0 | 114.1 | L837 T843 L844 A845 V1188 L1191 | L837-F841 HydrophobicContact CB-CD2 4.47Å; L837-F841 HydrophobicContact CB-CE2 3.82Å; L837-F841 HydrophobicContact CB-CZ 4.19Å; L837-F841 HydrophobicContact CD2-CZ 4.07Å; L837-F841 WeakPolarHBondContact O-CD2 3.31Å; L837-F841 WeakPolarHBondContact O-CG 3.29Å; L837-F841 PolarHBondContact O-N 2.88Å; F841-T843 VanDerWaalsContact C-N 3.35Å; F841-T843 PolarHBondContact O-N 3.47Å; F841-L844 PolarHBondContact O-N 3.45Å; F841-A845 PolarHBondContact O-N 2.67Å; F841-A845 VanDerWaalsContact O-N 3.12Å; F841-V1188 HydrophobicContact CB-CG1 3.96Å; F841-V1188 HydrophobicContact CD2-CG1 4.33Å; F841-V1188 HydrophobicContact CD2-CG2 3.64Å; F841-V1188 HydrophobicContact CE2-CG2 4.05Å; F841-V1188 HydrophobicContact CG-CG2 4.38Å; F841-L1191 HydrophobicContact CB-CD1 4.13Å; F841-L1191 HydrophobicContact CB-CG 4.22Å; F841-L1191 HydrophobicContact CD1-CD1 3.98Å; F841-L1191 HydrophobicContact CG-CD1 4.1Å |
| 842 | P | 76.8 | Confident | 69.5 | Low | 6 Ų | 6 | 35.4 Ų | 35.4 | 4% | 0.039 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.2 | -37.8 | 177.1 | -21.5 | 34.3 | 0 | 0 | 0 | 112.9 | D838 E839 A845 I846 I872 L876 A1190 | D838-P842 WeakPolarHBondContact O-CD 3.38Å; D838-P842 WeakPolarHBondContact O-CG 3.46Å; E839-P842 WeakPolarHBondContact O-CD 3.48Å; P842-A845 PolarHBondContact O-N 3.03Å; P842-I846 WeakPolarHBondContact O-CB 3.47Å; P842-I846 WeakPolarHBondContact O-CD1 3.22Å; P842-I846 WeakPolarHBondContact O-CG1 3.04Å; P842-I846 PolarHBondContact O-N 2.71Å; P842-I872 HydrophobicContact CB-CG2 4.47Å; P842-L876 HydrophobicContact CB-CD1 4.12Å; P842-L876 HydrophobicContact CB-CD2 4.09Å; P842-L876 HydrophobicContact CG-CD2 3.98Å; P842-A1190 HydrophobicContact CB-CB 4Å; P842-A1190 HydrophobicContact CG-CB 4.09Å |
| 843 | T | 73.4 | Confident | 70.5 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.9 | -55.7 | 173.4 | -63 | 0 | 0 | 0 | 0 | 110.8 | I826 W829 E839 F840 F841 A845 I846 V847 Y883 | I826-T843 HydrophobicContact CG1-CG2 3.77Å; I826-T843 HydrophobicContact CG2-CG2 4.14Å; W829-T843 HydrophobicContact CE3-CG2 3.35Å; W829-T843 HydrophobicContact CZ3-CG2 3.48Å; W829-T843 VanDerWaalsContact CZ3-CG2 3.48Å; W829-T843 WeakPolarHBondContact CZ3-OG1 3.47Å; E839-T843 PolarHBondContact O-N 2.88Å; E839-T843 PolarHBondContact O-OG1 2.92Å; F840-T843 WeakPolarHBondContact O-CB 3.24Å; F840-T843 PolarHBondContact O-N 2.81Å; F841-T843 VanDerWaalsContact C-N 3.35Å; F841-T843 PolarHBondContact O-N 3.47Å; T843-A845 VanDerWaalsContact C-N 3.26Å; T843-A845 PolarHBondContact O-N 2.91Å; T843-I846 PolarHBondContact O-N 2.84Å; T843-V847 HydrophobicContact CG2-CG2 4.24Å; T843-V847 WeakPolarHBondContact O-CG2 3.24Å; T843-V847 PolarHBondContact O-N 3.04Å; T843-Y883 WeakPolarHBondContact OG1-CE1 3.42Å; T843-Y883 PolarHBondContact OG1-OH 3.45Å |
| 844 | L | 73.8 | Confident | 71.4 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.6 | -39.4 | -174.3 | -172.9 | 70.2 | 0 | 0 | 0 | 111.4 | L814 L816 F840 F841 N848 L1208 | L814-L844 HydrophobicContact CD2-CD1 4.09Å; L814-L844 HydrophobicContact CD2-CD2 4Å; L816-L844 HydrophobicContact CD2-CD1 3.45Å; L816-L844 VanDerWaalsContact CD2-CD1 3.45Å; L816-L844 HydrophobicContact CG-CD1 4.31Å; F840-L844 HydrophobicContact CE1-CD2 4.25Å; F840-L844 HydrophobicContact CZ-CB 4.2Å; F840-L844 HydrophobicContact CZ-CD1 4.42Å; F840-L844 HydrophobicContact CZ-CD2 3.97Å; F840-L844 HydrophobicContact CZ-CG 4.43Å; F840-L844 PolarHBondContact O-N 3.36Å; F840-L844 VanDerWaalsContact O-N 3.12Å; F841-L844 PolarHBondContact O-N 3.45Å; L844-N848 PolarHBondContact O-N 2.86Å; L844-N848 PolarHBondContact O-ND2 3.26Å; L844-L1208 HydrophobicContact CD2-CD2 3.97Å; L844-L1208 HydrophobicContact CG-CD2 3.94Å |
| 845 | A | 79.2 | Confident | 72 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.1 | -50.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F841 P842 T843 V847 N848 L849 I872 A1190 L1191 | F841-A845 PolarHBondContact O-N 2.67Å; F841-A845 VanDerWaalsContact O-N 3.12Å; P842-A845 PolarHBondContact O-N 3.03Å; T843-A845 VanDerWaalsContact C-N 3.26Å; T843-A845 PolarHBondContact O-N 2.91Å; A845-V847 VanDerWaalsContact C-N 3.28Å; A845-V847 PolarHBondContact O-N 3.26Å; A845-N848 PolarHBondContact O-N 3.33Å; A845-L849 WeakPolarHBondContact O-CB 3.44Å; A845-L849 WeakPolarHBondContact O-CG 3.21Å; A845-L849 PolarHBondContact O-N 3.17Å; A845-I872 HydrophobicContact CB-CD1 4.19Å; A845-A1190 HydrophobicContact CB-CB 4.46Å; A845-L1191 HydrophobicContact CB-CD2 4.42Å |
| 846 | I | 78.1 | Confident | 72.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.5 | -42.2 | -179.1 | -72.2 | 166.7 | 0 | 0 | 0 | 110.8 | P842 T843 L849 I850 L869 I872 F873 L876 Y883 V887 | P842-I846 WeakPolarHBondContact O-CB 3.47Å; P842-I846 WeakPolarHBondContact O-CD1 3.22Å; P842-I846 WeakPolarHBondContact O-CG1 3.04Å; P842-I846 PolarHBondContact O-N 2.71Å; T843-I846 PolarHBondContact O-N 2.84Å; I846-L849 PolarHBondContact O-N 3.04Å; I846-I850 HydrophobicContact CG2-CD1 3.54Å; I846-I850 HydrophobicContact CG2-CG1 4.12Å; I846-I850 VanDerWaalsContact O-CG1 3.26Å; I846-I850 WeakPolarHBondContact O-CG1 3.32Å; I846-I850 PolarHBondContact O-N 2.69Å; I846-L869 HydrophobicContact CB-CD2 4.36Å; I846-L869 HydrophobicContact CG1-CD2 4.13Å; I846-L869 HydrophobicContact CG2-CD2 4.24Å; I846-I872 HydrophobicContact CD1-CG2 3.89Å; I846-I872 HydrophobicContact CG1-CD1 4.35Å; I846-I872 HydrophobicContact CG1-CG2 3.93Å; I846-F873 HydrophobicContact CD1-CE2 4.13Å; I846-L876 HydrophobicContact CD1-CD1 4.39Å; I846-Y883 HydrophobicContact CD1-CD1 3.93Å; I846-Y883 HydrophobicContact CD1-CD2 4.29Å; I846-Y883 HydrophobicContact CD1-CE1 4.36Å; I846-Y883 HydrophobicContact CD1-CG 3.89Å; I846-V887 HydrophobicContact CG2-CG2 3.96Å |
| 847 | V | 73.8 | Confident | 72.1 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.018 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.6 | -45.9 | -173.5 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L816 P817 I822 I826 T843 A845 L849 I850 S851 | L816-V847 HydrophobicContact CD2-CG1 4.28Å; P817-V847 HydrophobicContact CG-CG1 3.73Å; I822-V847 HydrophobicContact CG2-CB 4.26Å; I822-V847 HydrophobicContact CG2-CG1 3.74Å; I822-V847 HydrophobicContact CG2-CG2 3.67Å; I826-V847 HydrophobicContact CD1-CB 3.63Å; I826-V847 HydrophobicContact CD1-CG1 3.37Å; I826-V847 HydrophobicContact CD1-CG2 3.19Å; I826-V847 HydrophobicContact CG1-CG2 3.9Å; T843-V847 HydrophobicContact CG2-CG2 4.24Å; T843-V847 WeakPolarHBondContact O-CG2 3.24Å; T843-V847 PolarHBondContact O-N 3.04Å; A845-V847 VanDerWaalsContact C-N 3.28Å; A845-V847 PolarHBondContact O-N 3.26Å; V847-L849 VanDerWaalsContact C-N 3.29Å; V847-L849 PolarHBondContact O-N 3.38Å; V847-I850 PolarHBondContact O-N 2.73Å; V847-S851 PolarHBondContact O-N 3.31Å |
| 848 | N | 76.2 | Confident | 72 | Confident | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 174.7 | -79.6 | -68.3 | 0 | 0 | 0 | 110.8 | S815 L844 A845 S851 I852 L1204 | S815-N848 PolarHBondContact O-OD1 3.17Å; L844-N848 PolarHBondContact O-N 2.86Å; L844-N848 PolarHBondContact O-ND2 3.26Å; A845-N848 PolarHBondContact O-N 3.33Å; N848-S851 PolarHBondContact O-N 2.96Å; N848-S851 PolarHBondContact O-OG 3.15Å; N848-I852 WeakPolarHBondContact O-CG1 3.25Å; N848-I852 PolarHBondContact O-N 3.11Å; N848-L1204 HydrophobicContact CB-CD1 3.63Å |
| 849 | L | 82.1 | Confident | 72 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 175.8 | -69.4 | 173.6 | 0 | 0 | 0 | 113 | A845 I846 V847 S851 I852 L853 V865 A868 L869 I872 V1197 L1204 | A845-L849 WeakPolarHBondContact O-CB 3.44Å; A845-L849 WeakPolarHBondContact O-CG 3.21Å; A845-L849 PolarHBondContact O-N 3.17Å; I846-L849 PolarHBondContact O-N 3.04Å; V847-L849 VanDerWaalsContact C-N 3.29Å; V847-L849 PolarHBondContact O-N 3.38Å; L849-S851 VanDerWaalsContact C-N 3.32Å; L849-S851 PolarHBondContact O-N 2.9Å; L849-I852 PolarHBondContact O-N 3.5Å; L849-L853 PolarHBondContact O-N 3.23Å; L849-L853 VanDerWaalsContact O-N 3.09Å; L849-V865 HydrophobicContact CB-CG1 3.84Å; L849-V865 HydrophobicContact CD2-CB 4.38Å; L849-V865 HydrophobicContact CD2-CG1 3.86Å; L849-V865 HydrophobicContact CD2-CG2 4.13Å; L849-V865 HydrophobicContact CG-CG1 4.37Å; L849-V865 WeakPolarHBondContact O-CG1 3.36Å; L849-A868 HydrophobicContact CD1-CB 4.07Å; L849-L869 HydrophobicContact CB-CD1 4.43Å; L849-L869 HydrophobicContact CB-CD2 3.8Å; L849-L869 HydrophobicContact CB-CG 4.04Å; L849-L869 HydrophobicContact CD1-CD2 3.78Å; L849-L869 HydrophobicContact CD1-CG 4.04Å; L849-L869 HydrophobicContact CG-CD2 4.48Å; L849-I872 HydrophobicContact CD1-CD1 3.58Å; L849-V1197 HydrophobicContact CD2-CB 4.5Å; L849-V1197 HydrophobicContact CD2-CG1 4.39Å; L849-V1197 HydrophobicContact CD2-CG2 4.13Å; L849-L1204 HydrophobicContact CD2-CD2 4.2Å |
| 850 | I | 77.8 | Confident | 72.1 | Confident | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.3 | -40 | 175.7 | -70.2 | 169.6 | 0 | 0 | 0 | 110.6 | I822 I846 V847 I852 L853 A854 Q886 V887 | I822-I850 HydrophobicContact CD1-CG2 4.45Å; I846-I850 HydrophobicContact CG2-CD1 3.54Å; I846-I850 HydrophobicContact CG2-CG1 4.12Å; I846-I850 VanDerWaalsContact O-CG1 3.26Å; I846-I850 WeakPolarHBondContact O-CG1 3.32Å; I846-I850 PolarHBondContact O-N 2.69Å; V847-I850 PolarHBondContact O-N 2.73Å; I850-I852 VanDerWaalsContact C-N 3.25Å; I850-I852 PolarHBondContact O-N 3.32Å; I850-L853 CarbonylContact O-C 3.55Å; I850-L853 WeakPolarHBondContact O-CA 3.34Å; I850-L853 WeakPolarHBondContact O-CB 3.21Å; I850-L853 PolarHBondContact O-N 2.76Å; I850-A854 WeakPolarHBondContact O-CB 3.47Å; I850-A854 PolarHBondContact O-N 3.36Å; I850-Q886 HydrophobicContact CD1-CB 3.9Å; I850-V887 HydrophobicContact CD1-CG2 3.68Å; I850-V887 HydrophobicContact CG1-CG2 4.25Å |
| 851 | S | 71.4 | Confident | 72.3 | Confident | 28 Ų | 28 | 23.9 Ų | 23.9 | 20% | 0.196 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.5 | -36.7 | 177.8 | 74.5 | 0 | 0 | 0 | 0 | 112.5 | P817 V847 N848 L849 L853 A854 D855 | P817-S851 WeakPolarHBondContact CB-OG 3.29Å; P817-S851 WeakPolarHBondContact CG-OG 3.49Å; V847-S851 PolarHBondContact O-N 3.31Å; N848-S851 PolarHBondContact O-N 2.96Å; N848-S851 PolarHBondContact O-OG 3.15Å; L849-S851 VanDerWaalsContact C-N 3.32Å; L849-S851 PolarHBondContact O-N 2.9Å; S851-L853 VanDerWaalsContact C-N 3.34Å; S851-A854 PolarHBondContact O-N 3.3Å; S851-D855 PolarHBondContact O-N 3.19Å |
| 852 | I | 75.5 | Confident | 72.3 | Confident | 7 Ų | 7 | 24.1 Ų | 24.1 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.5 | -35.6 | 174 | -62.6 | 164.7 | 0 | 0 | 0 | 110.9 | N848 L849 I850 L858 H861 H862 V865 V1197 Y1201 L1204 | N848-I852 WeakPolarHBondContact O-CG1 3.25Å; N848-I852 PolarHBondContact O-N 3.11Å; L849-I852 PolarHBondContact O-N 3.5Å; I850-I852 VanDerWaalsContact C-N 3.25Å; I850-I852 PolarHBondContact O-N 3.32Å; I852-L858 HydrophobicContact CB-CD1 4.44Å; I852-L858 HydrophobicContact CG1-CD1 4.44Å; I852-L858 HydrophobicContact CG2-CB 4.07Å; I852-L858 HydrophobicContact CG2-CD1 3.92Å; I852-H861 HydrophobicContact CG2-CB 4.46Å; I852-H862 PolarHBondContact O-NE2 3.12Å; I852-H862 VanDerWaalsContact O-NE2 3.12Å; I852-V865 HydrophobicContact CB-CG2 4.36Å; I852-V865 HydrophobicContact CG2-CG2 3.81Å; I852-V1197 HydrophobicContact CD1-CG1 4.35Å; I852-Y1201 HydrophobicContact CD1-CD1 3.97Å; I852-Y1201 HydrophobicContact CD1-CE1 4.14Å; I852-Y1201 HydrophobicContact CG1-CE1 4.29Å; I852-L1204 HydrophobicContact CD1-CD1 4.28Å; I852-L1204 HydrophobicContact CD1-CD2 4.26Å |
| 853 | L | 73.4 | Confident | 72.6 | Confident | 13 Ų | 13 | 28 Ų | 28 | 7% | 0.068 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -73.3 | -29.9 | 175.5 | -69.2 | 178.6 | 0 | 0 | 0 | 113.7 | L849 I850 S851 D855 H862 V865 V866 L869 L891 L894 | L849-L853 PolarHBondContact O-N 3.23Å; L849-L853 VanDerWaalsContact O-N 3.09Å; I850-L853 CarbonylContact O-C 3.55Å; I850-L853 WeakPolarHBondContact O-CA 3.34Å; I850-L853 WeakPolarHBondContact O-CB 3.21Å; I850-L853 PolarHBondContact O-N 2.76Å; S851-L853 VanDerWaalsContact C-N 3.34Å; L853-D855 PolarHBondContact O-N 2.65Å; L853-H862 HydrophobicContact CD2-CB 3.95Å; L853-V865 HydrophobicContact CD1-CG1 3.98Å; L853-V865 HydrophobicContact CD2-CB 4.04Å; L853-V865 HydrophobicContact CD2-CG1 3.71Å; L853-V865 HydrophobicContact CG-CB 4.42Å; L853-V865 HydrophobicContact CG-CG1 3.56Å; L853-V866 HydrophobicContact CD1-CG2 4.13Å; L853-V866 HydrophobicContact CD2-CG2 3.8Å; L853-L869 HydrophobicContact CD1-CD1 3.39Å; L853-L891 HydrophobicContact CD1-CD2 4.37Å; L853-L894 HydrophobicContact CD2-CD2 4.27Å |
| 854 | A | 67.1 | Low | 73 | Confident | 25 Ų | 25 | 29.7 Ų | 29.7 | 21% | 0.207 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.9 | -25.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q721 I850 S851 P856 | Q721-A854 PolarHBondContact NE2-O 3.32Å; I850-A854 WeakPolarHBondContact O-CB 3.47Å; I850-A854 PolarHBondContact O-N 3.36Å; S851-A854 PolarHBondContact O-N 3.3Å; A854-P856 WeakPolarHBondContact O-CD 3.46Å |
| 855 | D | 62 | Low | 73.4 | Confident | 55 Ų | 55 | 29.7 Ų | 29.7 | 29% | 0.294 | 17% | 0.167 | S | C | . | . | trans | -86.5 | 114.5 | 176.6 | -162.2 | -25.6 | 0 | 0 | 0 | 111.8 | S851 L853 S857 L858 H862 | S851-D855 PolarHBondContact O-N 3.19Å; L853-D855 PolarHBondContact O-N 2.65Å; D855-S857 VanDerWaalsContact C-N 3.27Å; D855-S857 PolarHBondContact O-N 3.47Å; D855-S857 WeakPolarHBondContact OD1-CB 3.45Å; D855-S857 PolarHBondContact OD1-N 3.2Å; D855-S857 PolarHBondContact OD1-OG 3.34Å; D855-S857 PolarHBondContact OD2-OG 2.59Å; D855-L858 HydrophobicContact CB-CD1 4.29Å; D855-L858 HydrophobicContact CB-CG 4.39Å; D855-L858 PolarHBondContact O-N 2.81Å; D855-H862 PolarHBondContact O-CE1 3.4Å; D855-H862 PolarHBondContact O-NE2 3.13Å | ||
| 856 | P | 62.6 | Low | 73.7 | Confident | 46 Ų | 46 | 29.8 Ų | 29.8 | 30% | 0.299 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -68.6 | -24.3 | 178.1 | 28.1 | -34.4 | 0 | 0 | 0 | 113.2 | Q721 Q725 A854 L858 S859 | Q721-P856 VanDerWaalsContact NE2-CD 3.3Å; Q725-P856 HydrophobicContact CG-CG 4.37Å; A854-P856 WeakPolarHBondContact O-CD 3.46Å; P856-L858 PolarHBondContact O-N 3.12Å; P856-S859 WeakPolarHBondContact O-CB 3.5Å; P856-S859 PolarHBondContact O-N 2.92Å |
| 857 | S | 56.5 | Low | 74 | Confident | 32 Ų | 32 | 32.4 Ų | 32.4 | 22% | 0.224 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -64.6 | -27.2 | 179.1 | 67.8 | 0 | 0 | 0 | 0 | 112 | E729 D855 S859 | E729-S857 WeakPolarHBondContact OE1-CA 3.44Å; D855-S857 VanDerWaalsContact C-N 3.27Å; D855-S857 PolarHBondContact O-N 3.47Å; D855-S857 WeakPolarHBondContact OD1-CB 3.45Å; D855-S857 PolarHBondContact OD1-N 3.2Å; D855-S857 PolarHBondContact OD1-OG 3.34Å; D855-S857 PolarHBondContact OD2-OG 2.59Å; S857-S859 VanDerWaalsContact C-N 3.26Å; S857-S859 PolarHBondContact O-N 2.85Å |
| 858 | L | 65.9 | Low | 74.4 | Confident | 31 Ų | 31 | 32.6 Ų | 32.6 | 16% | 0.162 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -90.3 | 22.8 | 178.8 | -58.8 | 178 | 0 | 0 | 0 | 113.2 | I852 D855 P856 Q860 H861 H862 Y1201 | I852-L858 HydrophobicContact CB-CD1 4.44Å; I852-L858 HydrophobicContact CG1-CD1 4.44Å; I852-L858 HydrophobicContact CG2-CB 4.07Å; I852-L858 HydrophobicContact CG2-CD1 3.92Å; D855-L858 HydrophobicContact CB-CD1 4.29Å; D855-L858 HydrophobicContact CB-CG 4.39Å; D855-L858 PolarHBondContact O-N 2.81Å; P856-L858 PolarHBondContact O-N 3.12Å; L858-Q860 PolarHBondContact O-N 3.45Å; L858-H861 PolarHBondContact O-N 2.8Å; L858-H862 PolarHBondContact O-CD2 2.96Å; L858-H862 PolarHBondContact O-N 3.19Å; L858-Y1201 HydrophobicContact CD1-CE2 4.44Å; L858-Y1201 HydrophobicContact CD2-CE2 4.34Å |
| 859 | S | 68 | Low | 74.8 | Confident | 70 Ų | 70 | 32.6 Ų | 32.6 | 49% | 0.49 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -52 | -33.2 | -178.7 | 59.5 | 0 | 0 | 0 | 0 | 113.9 | P856 S857 H861 H862 | P856-S859 WeakPolarHBondContact O-CB 3.5Å; P856-S859 PolarHBondContact O-N 2.92Å; S857-S859 VanDerWaalsContact C-N 3.26Å; S857-S859 PolarHBondContact O-N 2.85Å; S859-H861 PolarHBondContact O-N 2.81Å; S859-H862 WeakPolarHBondContact O-CB 3.5Å; S859-H862 PolarHBondContact O-N 2.79Å; S859-H862 VanDerWaalsContact O-N 3.16Å |
| 860 | Q | 71 | Confident | 74.7 | Confident | 138 Ų | 138 | 33.5 Ų | 33.5 | 65% | 0.645 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -59.5 | -29.6 | 176.5 | -58 | -168.5 | 1.9 | 0 | 0 | 113.1 | S45 L858 | S45-Q860 PolarHBondContact O-NE2 2.97Å; S45-Q860 VanDerWaalsContact O-NE2 3.16Å; L858-Q860 PolarHBondContact O-N 3.45Å |
| 861 | H | 74.2 | Confident | 74.9 | Confident | 33 Ų | 33 | 36.5 Ų | 36.5 | 15% | 0.153 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -94.8 | -11 | -178.9 | -56.6 | -45 | 0 | 0 | 0 | 113.1 | I852 L858 S859 H863 T864 V865 | I852-H861 HydrophobicContact CG2-CB 4.46Å; L858-H861 PolarHBondContact O-N 2.8Å; S859-H861 PolarHBondContact O-N 2.81Å; H861-H863 PolarHBondContact O-N 2.95Å; H861-H863 VanDerWaalsContact O-N 3.17Å; H861-T864 PolarHBondContact O-N 3.29Å; H861-T864 VanDerWaalsContact O-N 3.1Å; H861-T864 PolarHBondContact O-OG1 2.9Å; H861-V865 HydrophobicContact CB-CG2 4.47Å; H861-V865 VanDerWaalsContact O-CG2 3.28Å; H861-V865 WeakPolarHBondContact O-CG2 3.18Å; H861-V865 PolarHBondContact O-N 2.77Å |
| 862 | H | 79.9 | Confident | 75.4 | Confident | 12 Ų | 12 | 35.2 Ų | 35.2 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.6 | -34.9 | -176.9 | -69.3 | -177.6 | 0 | 0 | 0 | 112.3 | I852 L853 D855 L858 S859 V865 V866 L894 M902 | I852-H862 PolarHBondContact O-NE2 3.12Å; I852-H862 VanDerWaalsContact O-NE2 3.12Å; L853-H862 HydrophobicContact CD2-CB 3.95Å; D855-H862 PolarHBondContact O-CE1 3.4Å; D855-H862 PolarHBondContact O-NE2 3.13Å; L858-H862 PolarHBondContact O-CD2 2.96Å; L858-H862 PolarHBondContact O-N 3.19Å; S859-H862 WeakPolarHBondContact O-CB 3.5Å; S859-H862 PolarHBondContact O-N 2.79Å; S859-H862 VanDerWaalsContact O-N 3.16Å; H862-V865 PolarHBondContact O-N 3.21Å; H862-V866 VanDerWaalsContact O-CG2 3.31Å; H862-V866 WeakPolarHBondContact O-CG2 3.24Å; H862-V866 PolarHBondContact O-N 2.83Å; H862-L894 WeakPolarHBondContact ND1-CD1 3.49Å; H862-M902 HydrophobicContact CB-CE 3.68Å |
| 863 | H | 82.8 | Confident | 75.6 | Confident | 88 Ų | 88 | 34.9 Ų | 34.9 | 41% | 0.407 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 176.2 | -179.8 | -81.9 | 0 | 0 | 0 | 112.8 | H861 N867 M902 F905 | H861-H863 PolarHBondContact O-N 2.95Å; H861-H863 VanDerWaalsContact O-N 3.17Å; H863-N867 PolarHBondContact CE1-ND2 2.86Å; H863-N867 PolarHBondContact ND1-ND2 3.19Å; H863-N867 PolarHBondContact O-N 3.4Å; H863-N867 PolarHBondContact O-ND2 3.42Å; H863-M902 HydrophobicContact CB-CE 4.33Å; H863-M902 HydrophobicContact CB-SD 4.25Å; H863-F905 HydrophobicContact CB-CE1 4.46Å; H863-F905 AromaticContact CD2-CD1 3.72Å; H863-F905 AromaticContact CD2-CD2 3.76Å; H863-F905 AromaticContact CD2-CE1 3.63Å; H863-F905 AromaticContact CD2-CE2 3.67Å; H863-F905 AromaticContact CD2-CG 3.79Å; H863-F905 AromaticContact CD2-CZ 3.6Å; H863-F905 AromaticContact NE2-CD2 3.59Å; H863-F905 AromaticContact NE2-CE2 3.36Å; H863-F905 WeakPolarHBondContact NE2-CE2 3.45Å; H863-F905 AromaticContact NE2-CZ 3.71Å |
| 864 | T | 80.9 | Confident | 75.8 | Confident | 37 Ų | 37 | 37.1 Ų | 37.1 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.9 | -36.5 | 179.2 | 50 | 0 | 0 | 0 | 0 | 111.5 | H861 N867 A868 | H861-T864 PolarHBondContact O-N 3.29Å; H861-T864 VanDerWaalsContact O-N 3.1Å; H861-T864 PolarHBondContact O-OG1 2.9Å; T864-N867 PolarHBondContact O-N 2.74Å; T864-A868 PolarHBondContact O-N 2.99Å |
| 865 | V | 83.9 | Confident | 76.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66 | -46.4 | 179.2 | 173.1 | 0 | 0 | 0 | 0 | 112.2 | L849 I852 L853 H861 H862 N867 A868 L869 V1197 | L849-V865 HydrophobicContact CB-CG1 3.84Å; L849-V865 HydrophobicContact CD2-CB 4.38Å; L849-V865 HydrophobicContact CD2-CG1 3.86Å; L849-V865 HydrophobicContact CD2-CG2 4.13Å; L849-V865 HydrophobicContact CG-CG1 4.37Å; L849-V865 WeakPolarHBondContact O-CG1 3.36Å; I852-V865 HydrophobicContact CB-CG2 4.36Å; I852-V865 HydrophobicContact CG2-CG2 3.81Å; L853-V865 HydrophobicContact CD1-CG1 3.98Å; L853-V865 HydrophobicContact CD2-CB 4.04Å; L853-V865 HydrophobicContact CD2-CG1 3.71Å; L853-V865 HydrophobicContact CG-CB 4.42Å; L853-V865 HydrophobicContact CG-CG1 3.56Å; H861-V865 HydrophobicContact CB-CG2 4.47Å; H861-V865 VanDerWaalsContact O-CG2 3.28Å; H861-V865 WeakPolarHBondContact O-CG2 3.18Å; H861-V865 PolarHBondContact O-N 2.77Å; H862-V865 PolarHBondContact O-N 3.21Å; V865-N867 VanDerWaalsContact C-N 3.33Å; V865-N867 PolarHBondContact O-N 3.4Å; V865-A868 WeakPolarHBondContact O-CB 3.48Å; V865-A868 PolarHBondContact O-N 2.9Å; V865-A868 VanDerWaalsContact O-N 3.16Å; V865-L869 HydrophobicContact CG1-CD1 4.35Å; V865-L869 PolarHBondContact O-N 3.08Å; V865-V1197 HydrophobicContact CG2-CG1 3.71Å; V865-V1197 HydrophobicContact CG2-CG2 4.01Å |
| 866 | V | 83.8 | Confident | 77 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 178.3 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | L853 H862 A868 L869 V870 L891 L894 F905 L906 Q909 | L853-V866 HydrophobicContact CD1-CG2 4.13Å; L853-V866 HydrophobicContact CD2-CG2 3.8Å; H862-V866 VanDerWaalsContact O-CG2 3.31Å; H862-V866 WeakPolarHBondContact O-CG2 3.24Å; H862-V866 PolarHBondContact O-N 2.83Å; V866-A868 VanDerWaalsContact C-N 3.33Å; V866-A868 PolarHBondContact O-N 3.4Å; V866-L869 PolarHBondContact O-N 3.21Å; V866-V870 HydrophobicContact CG1-CG2 4.36Å; V866-V870 WeakPolarHBondContact O-CG2 3.43Å; V866-V870 PolarHBondContact O-N 3.35Å; V866-L891 HydrophobicContact CG1-CD2 4.37Å; V866-L891 HydrophobicContact CG2-CD2 3.98Å; V866-L894 HydrophobicContact CG2-CD2 4.36Å; V866-F905 HydrophobicContact CB-CE1 4.18Å; V866-F905 HydrophobicContact CG1-CE1 4.26Å; V866-L906 HydrophobicContact CB-CD2 4.34Å; V866-L906 HydrophobicContact CG1-CD2 4.09Å; V866-L906 HydrophobicContact CG2-CD2 3.77Å; V866-Q909 HydrophobicContact CG1-CB 3.8Å; V866-Q909 HydrophobicContact CG1-CG 3.96Å |
| 867 | N | 84.6 | Confident | 77.5 | Confident | 55 Ų | 55 | 38.7 Ų | 38.7 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 173.3 | -80 | -43.9 | 0 | 0 | 0 | 112 | H863 T864 V865 F871 F905 Q909 | H863-N867 PolarHBondContact CE1-ND2 2.86Å; H863-N867 PolarHBondContact ND1-ND2 3.19Å; H863-N867 PolarHBondContact O-N 3.4Å; H863-N867 PolarHBondContact O-ND2 3.42Å; T864-N867 PolarHBondContact O-N 2.74Å; V865-N867 VanDerWaalsContact C-N 3.33Å; V865-N867 PolarHBondContact O-N 3.4Å; N867-F871 WeakPolarHBondContact O-CB 3.43Å; N867-F871 PolarHBondContact O-N 3.46Å; N867-F871 VanDerWaalsContact O-N 3.07Å; N867-F905 WeakPolarHBondContact ND2-CZ 3.4Å; N867-F905 WeakPolarHBondContact OD1-CZ 3.48Å; N867-Q909 PolarHBondContact OD1-NE2 3.48Å |
| 868 | A | 83.3 | Confident | 78.1 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L849 T864 V865 V866 F871 I872 V1197 | L849-A868 HydrophobicContact CD1-CB 4.07Å; T864-A868 PolarHBondContact O-N 2.99Å; V865-A868 WeakPolarHBondContact O-CB 3.48Å; V865-A868 PolarHBondContact O-N 2.9Å; V865-A868 VanDerWaalsContact O-N 3.16Å; V866-A868 VanDerWaalsContact C-N 3.33Å; V866-A868 PolarHBondContact O-N 3.4Å; A868-F871 PolarHBondContact O-N 3.17Å; A868-I872 VanDerWaalsContact O-CG1 3.27Å; A868-I872 WeakPolarHBondContact O-CG1 3.28Å; A868-I872 PolarHBondContact O-N 3.48Å; A868-V1197 HydrophobicContact CB-CG2 4.3Å |
| 869 | L | 83.6 | Confident | 78.2 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.5 | -48.5 | 176.9 | -75.8 | 175.4 | 0 | 0 | 0 | 112.3 | I846 L849 L853 V865 V866 F871 I872 F873 | I846-L869 HydrophobicContact CB-CD2 4.36Å; I846-L869 HydrophobicContact CG1-CD2 4.13Å; I846-L869 HydrophobicContact CG2-CD2 4.24Å; L849-L869 HydrophobicContact CB-CD1 4.43Å; L849-L869 HydrophobicContact CB-CD2 3.8Å; L849-L869 HydrophobicContact CB-CG 4.04Å; L849-L869 HydrophobicContact CD1-CD2 3.78Å; L849-L869 HydrophobicContact CD1-CG 4.04Å; L849-L869 HydrophobicContact CG-CD2 4.48Å; L853-L869 HydrophobicContact CD1-CD1 3.39Å; V865-L869 HydrophobicContact CG1-CD1 4.35Å; V865-L869 PolarHBondContact O-N 3.08Å; V866-L869 PolarHBondContact O-N 3.21Å; L869-F871 VanDerWaalsContact C-N 3.26Å; L869-F871 PolarHBondContact O-N 3.4Å; L869-I872 WeakPolarHBondContact O-CB 3.22Å; L869-I872 PolarHBondContact O-N 3.37Å; L869-I872 VanDerWaalsContact O-N 3.1Å; L869-F873 VanDerWaalsContact O-CD2 3.31Å; L869-F873 WeakPolarHBondContact O-CD2 3.39Å; L869-F873 PolarHBondContact O-N 2.85Å |
| 870 | V | 80.4 | Confident | 78.2 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | V866 F873 Y874 Q909 | V866-V870 HydrophobicContact CG1-CG2 4.36Å; V866-V870 WeakPolarHBondContact O-CG2 3.43Å; V866-V870 PolarHBondContact O-N 3.35Å; V870-F873 PolarHBondContact O-N 3.29Å; V870-Y874 WeakPolarHBondContact O-CB 3.23Å; V870-Y874 PolarHBondContact O-N 3.28Å; V870-Q909 HydrophobicContact CG2-CB 4.07Å |
| 871 | F | 82.6 | Confident | 78.1 | Confident | 65 Ų | 65 | 41 Ų | 41 | 29% | 0.285 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 174.6 | -176.8 | -93.4 | 0 | 0 | 0 | 112.8 | N867 A868 L869 Y874 S875 I1144 P1189 | N867-F871 WeakPolarHBondContact O-CB 3.43Å; N867-F871 PolarHBondContact O-N 3.46Å; N867-F871 VanDerWaalsContact O-N 3.07Å; A868-F871 PolarHBondContact O-N 3.17Å; L869-F871 VanDerWaalsContact C-N 3.26Å; L869-F871 PolarHBondContact O-N 3.4Å; F871-Y874 PolarHBondContact O-N 2.8Å; F871-S875 PolarHBondContact O-N 3.4Å; F871-I1144 HydrophobicContact CE2-CG2 4.19Å; F871-P1189 HydrophobicContact CE1-CB 4.12Å |
| 872 | I | 82 | Confident | 77.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -49.8 | 174.5 | -68.8 | 163.4 | 0 | 0 | 0 | 110 | P842 A845 I846 L849 A868 L869 Y874 S875 L876 A1190 S1193 | P842-I872 HydrophobicContact CB-CG2 4.47Å; A845-I872 HydrophobicContact CB-CD1 4.19Å; I846-I872 HydrophobicContact CD1-CG2 3.89Å; I846-I872 HydrophobicContact CG1-CD1 4.35Å; I846-I872 HydrophobicContact CG1-CG2 3.93Å; L849-I872 HydrophobicContact CD1-CD1 3.58Å; A868-I872 VanDerWaalsContact O-CG1 3.27Å; A868-I872 WeakPolarHBondContact O-CG1 3.28Å; A868-I872 PolarHBondContact O-N 3.48Å; L869-I872 WeakPolarHBondContact O-CB 3.22Å; L869-I872 PolarHBondContact O-N 3.37Å; L869-I872 VanDerWaalsContact O-N 3.1Å; I872-Y874 VanDerWaalsContact C-N 3.3Å; I872-Y874 PolarHBondContact O-N 2.95Å; I872-S875 PolarHBondContact O-N 2.96Å; I872-S875 PolarHBondContact O-OG 3.4Å; I872-L876 HydrophobicContact CG2-CD1 3.82Å; I872-L876 HydrophobicContact CG2-CG 4.35Å; I872-L876 WeakPolarHBondContact O-CG 3.49Å; I872-L876 PolarHBondContact O-N 3.32Å; I872-A1190 HydrophobicContact CG1-CB 4.02Å; I872-A1190 HydrophobicContact CG2-CB 4.25Å; I872-S1193 WeakPolarHBondContact CG1-OG 3.18Å |
| 873 | F | 79.2 | Confident | 77.4 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -40.6 | 178.8 | -86.8 | -105.9 | 0 | 0 | 0 | 111.9 | I846 L869 V870 S875 L876 N877 C880 M884 V887 L913 V917 | I846-F873 HydrophobicContact CD1-CE2 4.13Å; L869-F873 VanDerWaalsContact O-CD2 3.31Å; L869-F873 WeakPolarHBondContact O-CD2 3.39Å; L869-F873 PolarHBondContact O-N 2.85Å; V870-F873 PolarHBondContact O-N 3.29Å; F873-S875 VanDerWaalsContact C-N 3.31Å; F873-S875 PolarHBondContact O-N 3.45Å; F873-L876 PolarHBondContact O-N 2.97Å; F873-N877 PolarHBondContact O-N 3.5Å; F873-C880 HydrophobicContact CD1-CB 3.56Å; F873-C880 HydrophobicContact CE1-CB 3.81Å; F873-C880 HydrophobicContact CG-CB 4.5Å; F873-M884 HydrophobicContact CE1-SD 3.85Å; F873-V887 HydrophobicContact CE2-CB 4.37Å; F873-V887 HydrophobicContact CE2-CG1 4.35Å; F873-V887 HydrophobicContact CE2-CG2 3.78Å; F873-V887 HydrophobicContact CZ-CB 4.03Å; F873-V887 HydrophobicContact CZ-CG1 4.34Å; F873-V887 HydrophobicContact CZ-CG2 3.69Å; F873-L913 HydrophobicContact CB-CD1 3.81Å; F873-L913 HydrophobicContact CD1-CD1 3.5Å; F873-L913 HydrophobicContact CD2-CD1 4.38Å; F873-L913 HydrophobicContact CE1-CD1 4.17Å; F873-L913 HydrophobicContact CG-CD1 3.62Å; F873-V917 HydrophobicContact CD1-CG2 4.48Å |
| 874 | Y | 78.2 | Confident | 77 | Confident | 60 Ų | 60 | 38.2 Ų | 38.2 | 24% | 0.235 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -40.3 | 173.8 | -175 | -87.8 | 0 | 0 | 0 | 112 | V870 F871 I872 V916 I1142 Q1143 I1144 V1146 | V870-Y874 WeakPolarHBondContact O-CB 3.23Å; V870-Y874 PolarHBondContact O-N 3.28Å; F871-Y874 PolarHBondContact O-N 2.8Å; I872-Y874 VanDerWaalsContact C-N 3.3Å; I872-Y874 PolarHBondContact O-N 2.95Å; Y874-V916 HydrophobicContact CD2-CG2 4Å; Y874-I1142 VanDerWaalsContact CE2-O 3.32Å; Y874-I1142 WeakPolarHBondContact CE2-O 3.16Å; Y874-I1142 PolarHBondContact OH-O 2.96Å; Y874-I1142 VanDerWaalsContact OH-O 3.09Å; Y874-Q1143 VanDerWaalsContact OH-CA 3.27Å; Y874-Q1143 WeakPolarHBondContact OH-CA 3.28Å; Y874-I1144 HydrophobicContact CD1-CB 4.42Å; Y874-I1144 HydrophobicContact CE1-CB 3.82Å; Y874-I1144 WeakPolarHBondContact CE1-O 3.35Å; Y874-I1144 PolarHBondContact OH-N 3.41Å; Y874-I1144 PolarHBondContact OH-O 2.56Å; Y874-V1146 HydrophobicContact CD1-CG2 4.36Å; Y874-V1146 HydrophobicContact CE1-CG2 4.23Å |
| 875 | S | 76.8 | Confident | 76.6 | Confident | 37 Ų | 37 | 41.8 Ų | 41.8 | 26% | 0.259 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.5 | -30 | 177 | 78.5 | 0 | 0 | 0 | 0 | 114 | F871 I872 F873 | F871-S875 PolarHBondContact O-N 3.4Å; I872-S875 PolarHBondContact O-N 2.96Å; I872-S875 PolarHBondContact O-OG 3.4Å; F873-S875 VanDerWaalsContact C-N 3.31Å; F873-S875 PolarHBondContact O-N 3.45Å |
| 876 | L | 76.3 | Confident | 75.9 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 15% | 0.152 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -82.6 | -26.9 | 179.7 | -69 | 172.9 | 0 | 0 | 0 | 113.1 | P842 I846 I872 F873 V878 K879 Y883 | P842-L876 HydrophobicContact CB-CD1 4.12Å; P842-L876 HydrophobicContact CB-CD2 4.09Å; P842-L876 HydrophobicContact CG-CD2 3.98Å; I846-L876 HydrophobicContact CD1-CD1 4.39Å; I872-L876 HydrophobicContact CG2-CD1 3.82Å; I872-L876 HydrophobicContact CG2-CG 4.35Å; I872-L876 WeakPolarHBondContact O-CG 3.49Å; I872-L876 PolarHBondContact O-N 3.32Å; F873-L876 PolarHBondContact O-N 2.97Å; L876-V878 PolarHBondContact O-N 2.61Å; L876-K879 PolarHBondContact O-N 2.86Å; L876-Y883 HydrophobicContact CD1-CD2 4.22Å; L876-Y883 HydrophobicContact CD1-CE2 4.03Å |
| 877 | N | 74 | Confident | 75.5 | Confident | 93 Ų | 93 | 42.3 Ų | 42.3 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | 50.1 | -96 | 179.1 | -164.6 | 2.2 | 0 | 0 | 0 | 112.9 | F873 C880 | F873-N877 PolarHBondContact O-N 3.5Å; N877-C880 PolarHBondContact O-SG 3.31Å |
| 878 | V | 68.1 | Low | 75.2 | Confident | 115 Ų | 115 | 39.7 Ų | 39.7 | 70% | 0.697 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -81.5 | -22.4 | -176.7 | -169.4 | 0 | 0 | 0 | 0 | 112.8 | L876 C880 | L876-V878 PolarHBondContact O-N 2.61Å; V878-C880 PolarHBondContact O-N 3.45Å |
| 879 | K | 68.8 | Low | 75 | Confident | 116 Ų | 116 | 41.1 Ų | 41.1 | 50% | 0.504 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -80.5 | 5.8 | -178.5 | -66.6 | -168.1 | 173.8 | -159.9 | 0 | 114.2 | E839 L876 D881 | E839-K879 IonicContact OE1-NZ 3.46Å; E839-K879 PolarHBondContact OE1-NZ 2.89Å; L876-K879 PolarHBondContact O-N 2.86Å; K879-D881 VanDerWaalsContact C-N 3.32Å; K879-D881 PolarHBondContact O-N 3.47Å |
| 880 | C | 68.2 | Low | 74.5 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -76.1 | -15.4 | -174.5 | 63.3 | 0 | 0 | 0 | 0 | 114.8 | F873 N877 V878 S882 Y883 | F873-C880 HydrophobicContact CD1-CB 3.56Å; F873-C880 HydrophobicContact CE1-CB 3.81Å; F873-C880 HydrophobicContact CG-CB 4.5Å; N877-C880 PolarHBondContact O-SG 3.31Å; V878-C880 PolarHBondContact O-N 3.45Å; C880-S882 VanDerWaalsContact C-N 3.26Å; C880-S882 PolarHBondContact O-N 2.86Å; C880-Y883 PolarHBondContact O-N 3.3Å |
| 881 | D | 67.5 | Low | 74.5 | Confident | 84 Ų | 84 | 43.3 Ų | 43.3 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -54.7 | -39 | -173.1 | -160.5 | 25 | 0 | 0 | 0 | 112.9 | K879 Y883 M884 H920 | K879-D881 VanDerWaalsContact C-N 3.32Å; K879-D881 PolarHBondContact O-N 3.47Å; D881-Y883 PolarHBondContact O-N 2.84Å; D881-Y883 VanDerWaalsContact O-N 3.12Å; D881-M884 PolarHBondContact O-N 3.42Å; D881-H920 IonicContact OD1-CE1 3.83Å; D881-H920 IonicContact OD1-CG 3.99Å; D881-H920 IonicContact OD1-ND1 2.72Å; D881-H920 PolarHBondContact OD1-ND1 2.93Å; D881-H920 IonicContact OD2-CE1 2.77Å; D881-H920 PolarHBondContact OD2-CE1 3.08Å; D881-H920 VanDerWaalsContact OD2-CE1 3.3Å; D881-H920 IonicContact OD2-ND1 3.2Å; D881-H920 PolarHBondContact OD2-ND1 3.45Å |
| 882 | S | 69.5 | Low | 74.3 | Confident | 64 Ų | 64 | 40.2 Ų | 40.2 | 45% | 0.448 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -65.1 | -15.5 | -180 | 53.3 | 0 | 0 | 0 | 0 | 114.9 | C880 | C880-S882 VanDerWaalsContact C-N 3.26Å; C880-S882 PolarHBondContact O-N 2.86Å |
| 883 | Y | 71.7 | Confident | 74 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -110.8 | -4.4 | -174 | -50.4 | -77.3 | 0 | 0 | 0 | 113.2 | W829 E839 T843 I846 L876 C880 D881 D885 Q886 V887 | W829-Y883 HydrophobicContact CH2-CD1 4.18Å; W829-Y883 AromaticContact CH2-CE1 3.95Å; W829-Y883 HydrophobicContact CH2-CE1 3.95Å; W829-Y883 HydrophobicContact CZ3-CD1 4.13Å; W829-Y883 AromaticContact CZ3-CE1 3.59Å; W829-Y883 HydrophobicContact CZ3-CE1 3.59Å; E839-Y883 PolarHBondContact O-OH 2.78Å; T843-Y883 WeakPolarHBondContact OG1-CE1 3.42Å; T843-Y883 PolarHBondContact OG1-OH 3.45Å; I846-Y883 HydrophobicContact CD1-CD1 3.93Å; I846-Y883 HydrophobicContact CD1-CD2 4.29Å; I846-Y883 HydrophobicContact CD1-CE1 4.36Å; I846-Y883 HydrophobicContact CD1-CG 3.89Å; L876-Y883 HydrophobicContact CD1-CD2 4.22Å; L876-Y883 HydrophobicContact CD1-CE2 4.03Å; C880-Y883 PolarHBondContact O-N 3.3Å; D881-Y883 PolarHBondContact O-N 2.84Å; D881-Y883 VanDerWaalsContact O-N 3.12Å; Y883-D885 PolarHBondContact O-N 3.21Å; Y883-Q886 PolarHBondContact O-N 2.77Å; Y883-V887 PolarHBondContact O-N 3.25Å |
| 884 | M | 74.5 | Confident | 74 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | -173.7 | -75.4 | -60.7 | -59.3 | 0 | 0 | 112.8 | F873 D881 Q886 V887 V888 V917 I921 Y924 | F873-M884 HydrophobicContact CE1-SD 3.85Å; D881-M884 PolarHBondContact O-N 3.42Å; M884-Q886 PolarHBondContact O-N 2.96Å; M884-V887 PolarHBondContact O-N 3.13Å; M884-V888 HydrophobicContact CE-CG2 3.35Å; M884-V888 PolarHBondContact O-N 3.32Å; M884-V888 HydrophobicContact SD-CG2 4.37Å; M884-V917 HydrophobicContact CE-CB 4.46Å; M884-V917 HydrophobicContact CE-CG1 3.56Å; M884-V917 HydrophobicContact CE-CG2 4.14Å; M884-V917 HydrophobicContact SD-CB 4.37Å; M884-V917 HydrophobicContact SD-CG1 3.74Å; M884-V917 HydrophobicContact SD-CG2 3.6Å; M884-V917 VanDerWaalsContact SD-CG2 3.6Å; M884-I921 HydrophobicContact CE-CD1 3.76Å; M884-Y924 HydrophobicContact CB-CE2 4.5Å |
| 885 | D | 70.9 | Confident | 74 | Confident | 113 Ų | 113 | 42.5 Ų | 42.5 | 60% | 0.604 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.7 | -21.4 | -179.3 | -60.5 | -9.2 | 0 | 0 | 0 | 112.9 | Y883 P889 Y924 | Y883-D885 PolarHBondContact O-N 3.21Å; D885-P889 WeakPolarHBondContact O-CD 3.48Å; D885-Y924 VanDerWaalsContact CA-OH 3.24Å; D885-Y924 WeakPolarHBondContact CA-OH 3.37Å; D885-Y924 VanDerWaalsContact CG-OH 3.26Å; D885-Y924 PolarHBondContact OD1-OH 3.5Å |
| 886 | Q | 70.6 | Confident | 74.2 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -89 | -42.4 | 179.2 | -58.3 | 178.5 | 8.4 | 0 | 0 | 111.3 | I822 I850 Y883 M884 H890 | I822-Q886 HydrophobicContact CG1-CG 4.38Å; I850-Q886 HydrophobicContact CD1-CB 3.9Å; Y883-Q886 PolarHBondContact O-N 2.77Å; M884-Q886 PolarHBondContact O-N 2.96Å; Q886-H890 PolarHBondContact O-ND1 2.92Å |
| 887 | V | 75.5 | Confident | 74 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -87.2 | -42.4 | -168.3 | 175.2 | 0 | 0 | 0 | 0 | 113.4 | I846 I850 F873 Y883 M884 H890 L891 | I846-V887 HydrophobicContact CG2-CG2 3.96Å; I850-V887 HydrophobicContact CD1-CG2 3.68Å; I850-V887 HydrophobicContact CG1-CG2 4.25Å; F873-V887 HydrophobicContact CE2-CB 4.37Å; F873-V887 HydrophobicContact CE2-CG1 4.35Å; F873-V887 HydrophobicContact CE2-CG2 3.78Å; F873-V887 HydrophobicContact CZ-CB 4.03Å; F873-V887 HydrophobicContact CZ-CG1 4.34Å; F873-V887 HydrophobicContact CZ-CG2 3.69Å; Y883-V887 PolarHBondContact O-N 3.25Å; M884-V887 PolarHBondContact O-N 3.13Å; V887-H890 PolarHBondContact O-N 3.14Å; V887-L891 HydrophobicContact CG1-CD1 3.56Å; V887-L891 HydrophobicContact CG1-CG 4.1Å; V887-L891 PolarHBondContact O-N 2.85Å |
| 888 | V | 78.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.1 | -43 | -171.3 | 176.3 | 0 | 0 | 0 | 0 | 113.6 | M884 H890 L891 T892 F910 L913 I921 Y924 | M884-V888 HydrophobicContact CE-CG2 3.35Å; M884-V888 PolarHBondContact O-N 3.32Å; M884-V888 HydrophobicContact SD-CG2 4.37Å; V888-H890 VanDerWaalsContact C-N 3.32Å; V888-H890 PolarHBondContact O-N 3.07Å; V888-L891 PolarHBondContact O-N 3.42Å; V888-T892 HydrophobicContact CG1-CG2 4.38Å; V888-T892 PolarHBondContact O-N 3.35Å; V888-T892 PolarHBondContact O-OG1 3.08Å; V888-F910 HydrophobicContact CG1-CE2 4.18Å; V888-F910 HydrophobicContact CG1-CZ 4.27Å; V888-L913 HydrophobicContact CG2-CD2 4.38Å; V888-I921 HydrophobicContact CG1-CD1 4.27Å; V888-I921 HydrophobicContact CG2-CD1 4.04Å; V888-Y924 HydrophobicContact CB-CD1 4.36Å; V888-Y924 HydrophobicContact CB-CD2 4.19Å; V888-Y924 HydrophobicContact CB-CG 4.13Å; V888-Y924 HydrophobicContact CG1-CD1 3.93Å; V888-Y924 HydrophobicContact CG1-CD2 4.02Å; V888-Y924 HydrophobicContact CG1-CG 3.56Å; V888-Y924 HydrophobicContact CG2-CD2 4.47Å |
| 889 | P | 78.1 | Confident | 74 | Confident | 36 Ų | 36 | 44.2 Ų | 44.2 | 23% | 0.234 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -36.2 | 176.5 | -25.2 | 36.4 | 0 | 0 | 0 | 113.4 | D885 T892 N893 Y924 | D885-P889 WeakPolarHBondContact O-CD 3.48Å; P889-T892 VanDerWaalsContact CA-OG1 3.32Å; P889-T892 WeakPolarHBondContact CA-OG1 3.45Å; P889-T892 PolarHBondContact O-OG1 3.03Å; P889-N893 WeakPolarHBondContact O-CB 3.43Å; P889-N893 PolarHBondContact O-N 3.25Å; P889-N893 VanDerWaalsContact O-N 3.13Å; P889-N893 PolarHBondContact O-ND2 3.26Å; P889-Y924 HydrophobicContact CG-CE1 3.97Å |
| 890 | H | 73.2 | Confident | 74 | Confident | 58 Ų | 58 | 42.3 Ų | 42.3 | 27% | 0.269 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -71.2 | -44 | 178.4 | -70.9 | 89.1 | 0 | 0 | 0 | 111.6 | Q886 V887 V888 T892 N893 L894 | Q886-H890 PolarHBondContact O-ND1 2.92Å; V887-H890 PolarHBondContact O-N 3.14Å; V888-H890 VanDerWaalsContact C-N 3.32Å; V888-H890 PolarHBondContact O-N 3.07Å; H890-T892 PolarHBondContact O-N 3.26Å; H890-N893 PolarHBondContact O-N 2.75Å; H890-L894 WeakPolarHBondContact O-CB 3.05Å; H890-L894 PolarHBondContact O-N 3.31Å |
| 891 | L | 79.6 | Confident | 74 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 176.2 | -74.5 | 175.4 | 0 | 0 | 0 | 112.5 | L853 V866 V887 V888 L894 I895 F910 L913 | L853-L891 HydrophobicContact CD1-CD2 4.37Å; V866-L891 HydrophobicContact CG1-CD2 4.37Å; V866-L891 HydrophobicContact CG2-CD2 3.98Å; V887-L891 HydrophobicContact CG1-CD1 3.56Å; V887-L891 HydrophobicContact CG1-CG 4.1Å; V887-L891 PolarHBondContact O-N 2.85Å; V888-L891 PolarHBondContact O-N 3.42Å; L891-L894 WeakPolarHBondContact O-CB 3.28Å; L891-L894 PolarHBondContact O-N 3.13Å; L891-I895 VanDerWaalsContact O-CG1 3.25Å; L891-I895 WeakPolarHBondContact O-CG1 3.47Å; L891-I895 PolarHBondContact O-N 3.42Å; L891-F910 HydrophobicContact CD1-CD2 4.48Å; L891-L913 HydrophobicContact CD1-CD2 3.96Å |
| 892 | T | 78.4 | Confident | 74.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.8 | -40 | 178 | 41.7 | 0 | 0 | 0 | 0 | 112 | V888 P889 H890 I895 R896 V928 L931 | V888-T892 HydrophobicContact CG1-CG2 4.38Å; V888-T892 PolarHBondContact O-N 3.35Å; V888-T892 PolarHBondContact O-OG1 3.08Å; P889-T892 VanDerWaalsContact CA-OG1 3.32Å; P889-T892 WeakPolarHBondContact CA-OG1 3.45Å; P889-T892 PolarHBondContact O-OG1 3.03Å; H890-T892 PolarHBondContact O-N 3.26Å; T892-I895 PolarHBondContact O-N 2.75Å; T892-R896 PolarHBondContact O-N 3.26Å; T892-V928 HydrophobicContact CG2-CG2 4.44Å; T892-L931 HydrophobicContact CG2-CD1 3.5Å |
| 893 | N | 77.3 | Confident | 75 | Confident | 89 Ų | 89 | 44.2 Ų | 44.2 | 48% | 0.476 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.2 | -40.6 | 172.7 | -74.3 | -29.1 | 0 | 0 | 0 | 112.5 | P889 H890 I895 R896 S897 | P889-N893 WeakPolarHBondContact O-CB 3.43Å; P889-N893 PolarHBondContact O-N 3.25Å; P889-N893 VanDerWaalsContact O-N 3.13Å; P889-N893 PolarHBondContact O-ND2 3.26Å; H890-N893 PolarHBondContact O-N 2.75Å; N893-I895 VanDerWaalsContact C-N 3.32Å; N893-I895 PolarHBondContact O-N 2.99Å; N893-R896 WeakPolarHBondContact O-CB 3.32Å; N893-R896 PolarHBondContact O-N 3.12Å; N893-R896 VanDerWaalsContact O-N 3.1Å; N893-R896 PolarHBondContact OD1-NH1 2.77Å; N893-S897 PolarHBondContact O-N 2.67Å; N893-S897 PolarHBondContact O-OG 3.26Å |
| 894 | L | 77.8 | Confident | 75.3 | Confident | 16 Ų | 16 | 47 Ų | 47 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 175.5 | -170.2 | 79.7 | 0 | 0 | 0 | 111.7 | L853 H862 V866 H890 L891 R896 S897 A898 L906 | L853-L894 HydrophobicContact CD2-CD2 4.27Å; H862-L894 WeakPolarHBondContact ND1-CD1 3.49Å; V866-L894 HydrophobicContact CG2-CD2 4.36Å; H890-L894 WeakPolarHBondContact O-CB 3.05Å; H890-L894 PolarHBondContact O-N 3.31Å; L891-L894 WeakPolarHBondContact O-CB 3.28Å; L891-L894 PolarHBondContact O-N 3.13Å; L894-R896 VanDerWaalsContact C-N 3.25Å; L894-R896 PolarHBondContact O-N 3.36Å; L894-S897 PolarHBondContact O-N 2.96Å; L894-S897 PolarHBondContact O-OG 3.33Å; L894-A898 WeakPolarHBondContact O-CB 3.49Å; L894-A898 PolarHBondContact O-N 3.08Å; L894-L906 HydrophobicContact CD2-CD1 3.63Å; L894-L906 HydrophobicContact CD2-CD2 3.67Å; L894-L906 HydrophobicContact CD2-CG 4.31Å; L894-L906 HydrophobicContact CG-CD1 3.85Å |
| 895 | I | 78.5 | Confident | 75.7 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -35.8 | 176.4 | -71.4 | 165.3 | 0 | 0 | 0 | 111.5 | L891 T892 N893 R903 L906 F907 F910 L931 F935 | L891-I895 VanDerWaalsContact O-CG1 3.25Å; L891-I895 WeakPolarHBondContact O-CG1 3.47Å; L891-I895 PolarHBondContact O-N 3.42Å; T892-I895 PolarHBondContact O-N 2.75Å; N893-I895 VanDerWaalsContact C-N 3.32Å; N893-I895 PolarHBondContact O-N 2.99Å; I895-R903 HydrophobicContact CG2-CG 3.98Å; I895-R903 WeakPolarHBondContact O-CD 3.01Å; I895-R903 PolarHBondContact O-NE 3.37Å; I895-L906 HydrophobicContact CD1-CB 4.4Å; I895-L906 HydrophobicContact CG1-CB 3.73Å; I895-L906 HydrophobicContact CG1-CD1 4.07Å; I895-L906 HydrophobicContact CG1-CG 4.5Å; I895-F907 HydrophobicContact CG2-CD2 4.34Å; I895-F907 HydrophobicContact CG2-CE1 3.94Å; I895-F907 HydrophobicContact CG2-CE2 3.67Å; I895-F907 HydrophobicContact CG2-CZ 3.44Å; I895-F907 VanDerWaalsContact CG2-CZ 3.44Å; I895-F910 HydrophobicContact CD1-CB 4.48Å; I895-L931 HydrophobicContact CG2-CD1 4.37Å; I895-L931 HydrophobicContact CG2-CD2 4.21Å; I895-F935 HydrophobicContact CG2-CE2 4.4Å |
| 896 | R | 80.6 | Confident | 76.2 | Confident | 85 Ų | 85 | 43 Ų | 43 | 32% | 0.321 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68 | -41.5 | 177.2 | -64.7 | -176.3 | -179.5 | 113.1 | 2.3 | 112.2 | T892 N893 L894 L931 | T892-R896 PolarHBondContact O-N 3.26Å; N893-R896 WeakPolarHBondContact O-CB 3.32Å; N893-R896 PolarHBondContact O-N 3.12Å; N893-R896 VanDerWaalsContact O-N 3.1Å; N893-R896 PolarHBondContact OD1-NH1 2.77Å; L894-R896 VanDerWaalsContact C-N 3.25Å; L894-R896 PolarHBondContact O-N 3.36Å; R896-L931 HydrophobicContact CG-CD2 3.36Å |
| 897 | S | 72.5 | Confident | 76.8 | Confident | 95 Ų | 95 | 42.6 Ų | 42.6 | 66% | 0.664 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -89.3 | -20.3 | -174.2 | 59.1 | 0 | 0 | 0 | 0 | 114.7 | N893 L894 | N893-S897 PolarHBondContact O-N 2.67Å; N893-S897 PolarHBondContact O-OG 3.26Å; L894-S897 PolarHBondContact O-N 2.96Å; L894-S897 PolarHBondContact O-OG 3.33Å |
| 898 | A | 72.3 | Confident | 77.1 | Confident | 15 Ų | 15 | 46 Ų | 46 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -71.4 | 155.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L894 M902 R903 L906 | L894-A898 WeakPolarHBondContact O-CB 3.49Å; L894-A898 PolarHBondContact O-N 3.08Å; A898-M902 HydrophobicContact CB-CB 4.28Å; A898-M902 HydrophobicContact CB-CG 4.14Å; A898-R903 VanDerWaalsContact O-CZ 3.27Å; A898-R903 PolarHBondContact O-NE 3.21Å; A898-R903 PolarHBondContact O-NH2 2.75Å; A898-L906 HydrophobicContact CB-CD1 3.83Å |
| 899 | D | 69.5 | Low | 77.2 | Confident | 116 Ų | 116 | 47 Ų | 47 | 62% | 0.62 | 25% | 0.253 | S | S | * | . | trans | -64.6 | 159.8 | 173.9 | -71.9 | -36.4 | 0 | 0 | 0 | 113.4 | T901 M902 R903 | D899-T901 VanDerWaalsContact C-N 3.34Å; D899-T901 PolarHBondContact O-N 3.09Å; D899-M902 PolarHBondContact O-N 3.41Å; D899-R903 VanDerWaalsContact O-CB 3.31Å; D899-R903 WeakPolarHBondContact O-CB 3.39Å; D899-R903 PolarHBondContact O-N 2.91Å | ||
| 900 | P | 68.7 | Low | 77.5 | Confident | 76 Ų | 76 | 45.5 Ų | 45.5 | 49% | 0.494 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.7 | -41 | -173.3 | -24.5 | 33.1 | 0 | 0 | 0 | 114.6 | E904 M942 | P900-E904 PolarHBondContact O-N 3.48Å; P900-M942 HydrophobicContact CB-CE 3.64Å; P900-M942 WeakPolarHBondContact O-CE 3.44Å |
| 901 | T | 69.7 | Low | 77.6 | Confident | 117 Ų | 117 | 42.8 Ų | 42.8 | 72% | 0.718 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -68.1 | -44.2 | 179.8 | 48.8 | 0 | 0 | 0 | 0 | 112 | D899 F905 | D899-T901 VanDerWaalsContact C-N 3.34Å; D899-T901 PolarHBondContact O-N 3.09Å; T901-F905 PolarHBondContact O-N 3.46Å |
| 902 | M | 75 | Confident | 77.5 | Confident | 37 Ų | 37 | 45 Ų | 45 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.2 | -37.5 | 176.9 | -175.2 | 60.9 | -177.8 | 0 | 0 | 111.4 | H862 H863 A898 D899 E904 F905 L906 | H862-M902 HydrophobicContact CB-CE 3.68Å; H863-M902 HydrophobicContact CB-CE 4.33Å; H863-M902 HydrophobicContact CB-SD 4.25Å; A898-M902 HydrophobicContact CB-CB 4.28Å; A898-M902 HydrophobicContact CB-CG 4.14Å; D899-M902 PolarHBondContact O-N 3.41Å; M902-E904 VanDerWaalsContact C-N 3.33Å; M902-E904 PolarHBondContact O-N 2.79Å; M902-F905 HydrophobicContact CE-CD1 3.98Å; M902-F905 HydrophobicContact CE-CE1 4.15Å; M902-F905 WeakPolarHBondContact O-CB 3.33Å; M902-F905 PolarHBondContact O-N 3.1Å; M902-F905 HydrophobicContact SD-CD1 3.82Å; M902-F905 HydrophobicContact SD-CE1 4.45Å; M902-L906 HydrophobicContact CE-CD1 4.31Å; M902-L906 HydrophobicContact CE-CD2 3.79Å; M902-L906 HydrophobicContact CE-CG 3.98Å; M902-L906 HydrophobicContact CG-CD1 4.1Å; M902-L906 HydrophobicContact CG-CG 4.26Å; M902-L906 VanDerWaalsContact O-CG 3.29Å; M902-L906 WeakPolarHBondContact O-CG 3.47Å; M902-L906 PolarHBondContact O-N 3.42Å |
| 903 | R | 81.8 | Confident | 77.6 | Confident | 37 Ų | 37 | 45.2 Ų | 45.2 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62 | -39.9 | 179.1 | -163.9 | -177.1 | -60.2 | 129.2 | -1.1 | 112.3 | I895 A898 D899 L906 F907 F935 M942 | I895-R903 HydrophobicContact CG2-CG 3.98Å; I895-R903 WeakPolarHBondContact O-CD 3.01Å; I895-R903 PolarHBondContact O-NE 3.37Å; A898-R903 VanDerWaalsContact O-CZ 3.27Å; A898-R903 PolarHBondContact O-NE 3.21Å; A898-R903 PolarHBondContact O-NH2 2.75Å; D899-R903 VanDerWaalsContact O-CB 3.31Å; D899-R903 WeakPolarHBondContact O-CB 3.39Å; D899-R903 PolarHBondContact O-N 2.91Å; R903-L906 PolarHBondContact O-N 2.94Å; R903-F907 HydrophobicContact CG-CD2 3.89Å; R903-F907 HydrophobicContact CG-CE2 3.68Å; R903-F907 VanDerWaalsContact O-CD2 3.25Å; R903-F907 WeakPolarHBondContact O-CD2 3.43Å; R903-F907 PolarHBondContact O-N 3.35Å; R903-F935 VanDerWaalsContact CZ-CE1 3.4Å; R903-M942 HydrophobicContact CB-CE 4.4Å; R903-M942 HydrophobicContact CB-SD 4.28Å; R903-M942 HydrophobicContact CG-SD 4.36Å |
| 904 | E | 78.1 | Confident | 77.6 | Confident | 66 Ų | 66 | 41 Ų | 41 | 31% | 0.308 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.4 | -46.3 | 175.5 | -172.1 | 167.2 | -167.8 | 0 | 0 | 111.8 | P900 M902 F907 Q908 M942 T945 | P900-E904 PolarHBondContact O-N 3.48Å; M902-E904 VanDerWaalsContact C-N 3.33Å; M902-E904 PolarHBondContact O-N 2.79Å; E904-F907 PolarHBondContact O-N 2.95Å; E904-Q908 PolarHBondContact O-N 3.42Å; E904-Q908 VanDerWaalsContact O-N 3.12Å; E904-M942 HydrophobicContact CB-CG 4.04Å; E904-M942 HydrophobicContact CB-SD 4.49Å; E904-M942 HydrophobicContact CG-CG 4.29Å; E904-T945 HydrophobicContact CG-CG2 3.69Å |
| 905 | F | 82.2 | Confident | 77.5 | Confident | 28 Ų | 28 | 42.7 Ų | 42.7 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -46 | 173.8 | 166 | -98.4 | 0 | 0 | 0 | 111.8 | H863 V866 N867 T901 M902 F907 Q908 Q909 | H863-F905 HydrophobicContact CB-CE1 4.46Å; H863-F905 AromaticContact CD2-CD1 3.72Å; H863-F905 AromaticContact CD2-CD2 3.76Å; H863-F905 AromaticContact CD2-CE1 3.63Å; H863-F905 AromaticContact CD2-CE2 3.67Å; H863-F905 AromaticContact CD2-CG 3.79Å; H863-F905 AromaticContact CD2-CZ 3.6Å; H863-F905 AromaticContact NE2-CD2 3.59Å; H863-F905 AromaticContact NE2-CE2 3.36Å; H863-F905 WeakPolarHBondContact NE2-CE2 3.45Å; H863-F905 AromaticContact NE2-CZ 3.71Å; V866-F905 HydrophobicContact CB-CE1 4.18Å; V866-F905 HydrophobicContact CG1-CE1 4.26Å; N867-F905 WeakPolarHBondContact ND2-CZ 3.4Å; N867-F905 WeakPolarHBondContact OD1-CZ 3.48Å; T901-F905 PolarHBondContact O-N 3.46Å; M902-F905 HydrophobicContact CE-CD1 3.98Å; M902-F905 HydrophobicContact CE-CE1 4.15Å; M902-F905 WeakPolarHBondContact O-CB 3.33Å; M902-F905 PolarHBondContact O-N 3.1Å; M902-F905 HydrophobicContact SD-CD1 3.82Å; M902-F905 HydrophobicContact SD-CE1 4.45Å; F905-F907 PolarHBondContact O-N 3.46Å; F905-Q908 WeakPolarHBondContact O-CB 3.36Å; F905-Q908 PolarHBondContact O-N 2.94Å; F905-Q908 VanDerWaalsContact O-N 3.17Å; F905-Q909 HydrophobicContact CD1-CG 4.33Å; F905-Q909 HydrophobicContact CD2-CG 4.11Å; F905-Q909 HydrophobicContact CE1-CG 3.85Å; F905-Q909 HydrophobicContact CE2-CG 3.6Å; F905-Q909 HydrophobicContact CG-CG 4.45Å; F905-Q909 HydrophobicContact CZ-CG 3.44Å; F905-Q909 VanDerWaalsContact CZ-CG 3.44Å; F905-Q909 WeakPolarHBondContact O-CG 3.34Å; F905-Q909 PolarHBondContact O-N 2.98Å |
| 906 | L | 82.6 | Confident | 77.2 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 179 | -71.3 | 174.4 | 0 | 0 | 0 | 112.4 | V866 L894 I895 A898 M902 R903 Q908 Q909 F910 | V866-L906 HydrophobicContact CB-CD2 4.34Å; V866-L906 HydrophobicContact CG1-CD2 4.09Å; V866-L906 HydrophobicContact CG2-CD2 3.77Å; L894-L906 HydrophobicContact CD2-CD1 3.63Å; L894-L906 HydrophobicContact CD2-CD2 3.67Å; L894-L906 HydrophobicContact CD2-CG 4.31Å; L894-L906 HydrophobicContact CG-CD1 3.85Å; I895-L906 HydrophobicContact CD1-CB 4.4Å; I895-L906 HydrophobicContact CG1-CB 3.73Å; I895-L906 HydrophobicContact CG1-CD1 4.07Å; I895-L906 HydrophobicContact CG1-CG 4.5Å; A898-L906 HydrophobicContact CB-CD1 3.83Å; M902-L906 HydrophobicContact CE-CD1 4.31Å; M902-L906 HydrophobicContact CE-CD2 3.79Å; M902-L906 HydrophobicContact CE-CG 3.98Å; M902-L906 HydrophobicContact CG-CD1 4.1Å; M902-L906 HydrophobicContact CG-CG 4.26Å; M902-L906 VanDerWaalsContact O-CG 3.29Å; M902-L906 WeakPolarHBondContact O-CG 3.47Å; M902-L906 PolarHBondContact O-N 3.42Å; R903-L906 PolarHBondContact O-N 2.94Å; L906-Q908 VanDerWaalsContact C-N 3.33Å; L906-Q908 PolarHBondContact O-N 3.49Å; L906-Q909 PolarHBondContact O-N 3.35Å; L906-F910 VanDerWaalsContact O-CB 3.3Å; L906-F910 WeakPolarHBondContact O-CB 3.44Å; L906-F910 PolarHBondContact O-N 2.73Å |
| 907 | F | 82.2 | Confident | 76.9 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.2 | -39.4 | 174.8 | -85.9 | -61.1 | 0 | 0 | 0 | 112.2 | I895 R903 E904 F905 F910 G911 L931 F935 L949 | I895-F907 HydrophobicContact CG2-CD2 4.34Å; I895-F907 HydrophobicContact CG2-CE1 3.94Å; I895-F907 HydrophobicContact CG2-CE2 3.67Å; I895-F907 HydrophobicContact CG2-CZ 3.44Å; I895-F907 VanDerWaalsContact CG2-CZ 3.44Å; R903-F907 HydrophobicContact CG-CD2 3.89Å; R903-F907 HydrophobicContact CG-CE2 3.68Å; R903-F907 VanDerWaalsContact O-CD2 3.25Å; R903-F907 WeakPolarHBondContact O-CD2 3.43Å; R903-F907 PolarHBondContact O-N 3.35Å; E904-F907 PolarHBondContact O-N 2.95Å; F905-F907 PolarHBondContact O-N 3.46Å; F907-F910 PolarHBondContact O-N 3.21Å; F907-G911 PolarHBondContact O-N 3.35Å; F907-L931 HydrophobicContact CE1-CB 4.5Å; F907-L931 HydrophobicContact CZ-CB 4.49Å; F907-F935 HydrophobicContact CE2-CB 4.33Å; F907-F935 HydrophobicContact CE2-CD2 4.16Å; F907-F935 HydrophobicContact CE2-CG 4.4Å; F907-F935 HydrophobicContact CZ-CB 4.46Å; F907-F935 AromaticContact CZ-CD2 3.94Å; F907-F935 HydrophobicContact CZ-CD2 3.94Å; F907-L949 HydrophobicContact CD1-CD2 3.88Å; F907-L949 HydrophobicContact CE1-CD2 4.37Å |
| 908 | Q | 82.4 | Confident | 77.1 | Confident | 74 Ų | 74 | 40.8 Ų | 40.8 | 35% | 0.346 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.9 | -45.2 | 175.3 | -171.7 | -177.7 | -6.3 | 0 | 0 | 111.5 | E904 F905 L906 G911 Y912 | E904-Q908 PolarHBondContact O-N 3.42Å; E904-Q908 VanDerWaalsContact O-N 3.12Å; F905-Q908 WeakPolarHBondContact O-CB 3.36Å; F905-Q908 PolarHBondContact O-N 2.94Å; F905-Q908 VanDerWaalsContact O-N 3.17Å; L906-Q908 VanDerWaalsContact C-N 3.33Å; L906-Q908 PolarHBondContact O-N 3.49Å; Q908-G911 PolarHBondContact O-N 3.45Å; Q908-Y912 HydrophobicContact CG-CD2 4.47Å; Q908-Y912 HydrophobicContact CG-CE2 3.72Å; Q908-Y912 PolarHBondContact NE2-OH 3.5Å; Q908-Y912 VanDerWaalsContact NE2-OH 3.08Å; Q908-Y912 VanDerWaalsContact O-CD2 3.31Å; Q908-Y912 WeakPolarHBondContact O-CD2 3.05Å; Q908-Y912 PolarHBondContact O-N 2.95Å; Q908-Y912 VanDerWaalsContact O-N 3.14Å |
| 909 | Q | 81.8 | Confident | 77.3 | Confident | 21 Ų | 21 | 45.6 Ų | 45.6 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -39.6 | 176.7 | -67.6 | -52.4 | -38.9 | 0 | 0 | 112.7 | V866 N867 V870 F905 L906 G911 Y912 L913 | V866-Q909 HydrophobicContact CG1-CB 3.8Å; V866-Q909 HydrophobicContact CG1-CG 3.96Å; N867-Q909 PolarHBondContact OD1-NE2 3.48Å; V870-Q909 HydrophobicContact CG2-CB 4.07Å; F905-Q909 HydrophobicContact CD1-CG 4.33Å; F905-Q909 HydrophobicContact CD2-CG 4.11Å; F905-Q909 HydrophobicContact CE1-CG 3.85Å; F905-Q909 HydrophobicContact CE2-CG 3.6Å; F905-Q909 HydrophobicContact CG-CG 4.45Å; F905-Q909 HydrophobicContact CZ-CG 3.44Å; F905-Q909 VanDerWaalsContact CZ-CG 3.44Å; F905-Q909 WeakPolarHBondContact O-CG 3.34Å; F905-Q909 PolarHBondContact O-N 2.98Å; L906-Q909 PolarHBondContact O-N 3.35Å; Q909-G911 VanDerWaalsContact C-N 3.25Å; Q909-G911 PolarHBondContact O-N 3.1Å; Q909-Y912 PolarHBondContact O-N 2.83Å; Q909-Y912 VanDerWaalsContact O-N 3.16Å; Q909-L913 PolarHBondContact O-N 2.91Å |
| 910 | F | 83.1 | Confident | 77.5 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 2% | 0.022 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -37.6 | 174.4 | -164.7 | -102.7 | 0 | 0 | 0 | 111.3 | V888 L891 I895 L906 F907 L913 V914 I921 V928 L949 | V888-F910 HydrophobicContact CG1-CE2 4.18Å; V888-F910 HydrophobicContact CG1-CZ 4.27Å; L891-F910 HydrophobicContact CD1-CD2 4.48Å; I895-F910 HydrophobicContact CD1-CB 4.48Å; L906-F910 VanDerWaalsContact O-CB 3.3Å; L906-F910 WeakPolarHBondContact O-CB 3.44Å; L906-F910 PolarHBondContact O-N 2.73Å; F907-F910 PolarHBondContact O-N 3.21Å; F910-L913 HydrophobicContact CD2-CD2 4.38Å; F910-L913 HydrophobicContact CE2-CD2 4.42Å; F910-L913 WeakPolarHBondContact O-CB 3.31Å; F910-L913 PolarHBondContact O-N 3.15Å; F910-V914 HydrophobicContact CD1-CG2 4.11Å; F910-V914 HydrophobicContact CE1-CG2 3.92Å; F910-V914 VanDerWaalsContact O-CG2 3.3Å; F910-V914 WeakPolarHBondContact O-CG2 3.36Å; F910-V914 PolarHBondContact O-N 3.17Å; F910-I921 HydrophobicContact CZ-CD1 4.29Å; F910-V928 HydrophobicContact CE1-CB 4.34Å; F910-V928 HydrophobicContact CE1-CG1 3.77Å; F910-V928 HydrophobicContact CE1-CG2 3.54Å; F910-V928 HydrophobicContact CZ-CG2 3.48Å; F910-V928 VanDerWaalsContact CZ-CG2 3.48Å; F910-L949 HydrophobicContact CD1-CD1 3.96Å; F910-L949 HydrophobicContact CD1-CD2 4.25Å |
| 911 | G | 76.4 | Confident | 78 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F907 Q908 Q909 V914 S915 L949 Q952 | F907-G911 PolarHBondContact O-N 3.35Å; Q908-G911 PolarHBondContact O-N 3.45Å; Q909-G911 VanDerWaalsContact C-N 3.25Å; Q909-G911 PolarHBondContact O-N 3.1Å; G911-V914 PolarHBondContact O-N 3.31Å; G911-S915 PolarHBondContact O-N 2.89Å; G911-S915 VanDerWaalsContact O-N 3.13Å; G911-L949 VanDerWaalsContact CA-CD1 3.47Å; G911-Q952 PolarHBondContact O-OE1 3.22Å |
| 912 | Y | 77 | Confident | 78.4 | Confident | 58 Ų | 58 | 40.6 Ų | 40.6 | 23% | 0.227 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -42.3 | 173.2 | -64.2 | -50.7 | 0 | 0 | 0 | 112.2 | Q908 Q909 V914 S915 V916 I1142 | Q908-Y912 HydrophobicContact CG-CD2 4.47Å; Q908-Y912 HydrophobicContact CG-CE2 3.72Å; Q908-Y912 PolarHBondContact NE2-OH 3.5Å; Q908-Y912 VanDerWaalsContact NE2-OH 3.08Å; Q908-Y912 VanDerWaalsContact O-CD2 3.31Å; Q908-Y912 WeakPolarHBondContact O-CD2 3.05Å; Q908-Y912 PolarHBondContact O-N 2.95Å; Q908-Y912 VanDerWaalsContact O-N 3.14Å; Q909-Y912 PolarHBondContact O-N 2.83Å; Q909-Y912 VanDerWaalsContact O-N 3.16Å; Y912-V914 PolarHBondContact O-N 2.89Å; Y912-S915 WeakPolarHBondContact O-CB 3.43Å; Y912-S915 PolarHBondContact O-N 2.79Å; Y912-S915 VanDerWaalsContact O-N 3.17Å; Y912-S915 PolarHBondContact O-OG 3.44Å; Y912-V916 PolarHBondContact O-N 3.37Å; Y912-I1142 HydrophobicContact CD1-CD1 3.74Å; Y912-I1142 HydrophobicContact CE1-CD1 3.2Å |
| 913 | L | 79.5 | Confident | 78.6 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 176.1 | -176 | 67.3 | 0 | 0 | 0 | 111.6 | F873 V888 L891 Q909 F910 S915 V916 V917 | F873-L913 HydrophobicContact CB-CD1 3.81Å; F873-L913 HydrophobicContact CD1-CD1 3.5Å; F873-L913 HydrophobicContact CD2-CD1 4.38Å; F873-L913 HydrophobicContact CE1-CD1 4.17Å; F873-L913 HydrophobicContact CG-CD1 3.62Å; V888-L913 HydrophobicContact CG2-CD2 4.38Å; L891-L913 HydrophobicContact CD1-CD2 3.96Å; Q909-L913 PolarHBondContact O-N 2.91Å; F910-L913 HydrophobicContact CD2-CD2 4.38Å; F910-L913 HydrophobicContact CE2-CD2 4.42Å; F910-L913 WeakPolarHBondContact O-CB 3.31Å; F910-L913 PolarHBondContact O-N 3.15Å; L913-S915 VanDerWaalsContact C-N 3.27Å; L913-S915 PolarHBondContact O-N 2.9Å; L913-V916 PolarHBondContact O-N 3.49Å; L913-V916 VanDerWaalsContact O-N 3.15Å; L913-V917 HydrophobicContact CD1-CG2 4.01Å; L913-V917 HydrophobicContact CG-CG2 4.16Å; L913-V917 WeakPolarHBondContact O-CB 3.47Å; L913-V917 VanDerWaalsContact O-CG2 3.25Å; L913-V917 WeakPolarHBondContact O-CG2 3.49Å; L913-V917 PolarHBondContact O-N 3.4Å |
| 914 | V | 78 | Confident | 78.5 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.2 | -40.1 | 176.7 | 168.8 | 0 | 0 | 0 | 0 | 111.6 | F910 G911 Y912 V916 V917 K918 I921 L949 L953 A956 | F910-V914 HydrophobicContact CD1-CG2 4.11Å; F910-V914 HydrophobicContact CE1-CG2 3.92Å; F910-V914 VanDerWaalsContact O-CG2 3.3Å; F910-V914 WeakPolarHBondContact O-CG2 3.36Å; F910-V914 PolarHBondContact O-N 3.17Å; G911-V914 PolarHBondContact O-N 3.31Å; Y912-V914 PolarHBondContact O-N 2.89Å; V914-V916 VanDerWaalsContact C-N 3.27Å; V914-V916 PolarHBondContact O-N 3.38Å; V914-V917 PolarHBondContact O-N 3.48Å; V914-K918 PolarHBondContact O-N 3Å; V914-I921 HydrophobicContact CG2-CG1 4.37Å; V914-L949 HydrophobicContact CG2-CD1 4.29Å; V914-L953 HydrophobicContact CB-CD2 4.49Å; V914-L953 HydrophobicContact CG1-CD2 3.65Å; V914-L953 HydrophobicContact CG1-CG 4.08Å; V914-L953 HydrophobicContact CG2-CD2 3.99Å; V914-A956 HydrophobicContact CG1-CB 3.99Å |
| 915 | S | 75.1 | Confident | 78.6 | Confident | 53 Ų | 53 | 39.5 Ų | 39.5 | 37% | 0.371 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64 | -30.8 | 179.6 | 78.3 | 0 | 0 | 0 | 0 | 113.5 | G911 Y912 L913 K918 | G911-S915 PolarHBondContact O-N 2.89Å; G911-S915 VanDerWaalsContact O-N 3.13Å; Y912-S915 WeakPolarHBondContact O-CB 3.43Å; Y912-S915 PolarHBondContact O-N 2.79Å; Y912-S915 VanDerWaalsContact O-N 3.17Å; Y912-S915 PolarHBondContact O-OG 3.44Å; L913-S915 VanDerWaalsContact C-N 3.27Å; L913-S915 PolarHBondContact O-N 2.9Å; S915-K918 WeakPolarHBondContact O-CG 3.48Å |
| 916 | V | 72.7 | Confident | 78.4 | Confident | 21 Ų | 21 | 41.1 Ų | 41.1 | 13% | 0.127 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -80.4 | -48 | 177.4 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | Y874 Y912 L913 V914 | Y874-V916 HydrophobicContact CD2-CG2 4Å; Y912-V916 PolarHBondContact O-N 3.37Å; L913-V916 PolarHBondContact O-N 3.49Å; L913-V916 VanDerWaalsContact O-N 3.15Å; V914-V916 VanDerWaalsContact C-N 3.27Å; V914-V916 PolarHBondContact O-N 3.38Å |
| 917 | V | 73.9 | Confident | 78.2 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.6 | -29.4 | -171.7 | 173.9 | 0 | 0 | 0 | 0 | 112.8 | F873 M884 L913 V914 H919 H920 I921 | F873-V917 HydrophobicContact CD1-CG2 4.48Å; M884-V917 HydrophobicContact CE-CB 4.46Å; M884-V917 HydrophobicContact CE-CG1 3.56Å; M884-V917 HydrophobicContact CE-CG2 4.14Å; M884-V917 HydrophobicContact SD-CB 4.37Å; M884-V917 HydrophobicContact SD-CG1 3.74Å; M884-V917 HydrophobicContact SD-CG2 3.6Å; M884-V917 VanDerWaalsContact SD-CG2 3.6Å; L913-V917 HydrophobicContact CD1-CG2 4.01Å; L913-V917 HydrophobicContact CG-CG2 4.16Å; L913-V917 WeakPolarHBondContact O-CB 3.47Å; L913-V917 VanDerWaalsContact O-CG2 3.25Å; L913-V917 WeakPolarHBondContact O-CG2 3.49Å; L913-V917 PolarHBondContact O-N 3.4Å; V914-V917 PolarHBondContact O-N 3.48Å; V917-H919 PolarHBondContact O-N 3.39Å; V917-H920 HydrophobicContact CG1-CB 3.59Å; V917-H920 PolarHBondContact O-N 3.43Å; V917-I921 HydrophobicContact CG1-CB 4.19Å |
| 918 | K | 77.2 | Confident | 78.2 | Confident | 119 Ų | 119 | 44.5 Ų | 44.5 | 52% | 0.517 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | 52 | -108.8 | 177.5 | -59.4 | -179.6 | -177.3 | 178.6 | 0 | 113.3 | V914 S915 H920 I921 | V914-K918 PolarHBondContact O-N 3Å; S915-K918 WeakPolarHBondContact O-CG 3.48Å; K918-H920 VanDerWaalsContact C-N 3.33Å; K918-H920 PolarHBondContact O-N 3.36Å; K918-I921 WeakPolarHBondContact O-CG2 3.36Å |
| 919 | H | 76.7 | Confident | 78.1 | Confident | 115 Ų | 115 | 41.1 Ų | 41.1 | 53% | 0.532 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -74 | -20.3 | -173.8 | -63.1 | -50.9 | 0 | 0 | 0 | 114 | V917 I921 A956 | V917-H919 PolarHBondContact O-N 3.39Å; H919-I921 VanDerWaalsContact C-N 3.28Å; H919-I921 PolarHBondContact O-N 3.01Å; H919-A956 PolarHBondContact CE1-O 3.14Å; H919-A956 PolarHBondContact ND1-O 3Å |
| 920 | H | 73.4 | Confident | 78 | Confident | 80 Ų | 80 | 43.6 Ų | 43.6 | 37% | 0.37 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -75.9 | -11.5 | -174.4 | -65.5 | -90.2 | 0 | 0 | 0 | 113.8 | D881 V917 K918 K922 P923 | D881-H920 IonicContact OD1-CE1 3.83Å; D881-H920 IonicContact OD1-CG 3.99Å; D881-H920 IonicContact OD1-ND1 2.72Å; D881-H920 PolarHBondContact OD1-ND1 2.93Å; D881-H920 IonicContact OD2-CE1 2.77Å; D881-H920 PolarHBondContact OD2-CE1 3.08Å; D881-H920 VanDerWaalsContact OD2-CE1 3.3Å; D881-H920 IonicContact OD2-ND1 3.2Å; D881-H920 PolarHBondContact OD2-ND1 3.45Å; V917-H920 HydrophobicContact CG1-CB 3.59Å; V917-H920 PolarHBondContact O-N 3.43Å; K918-H920 VanDerWaalsContact C-N 3.33Å; K918-H920 PolarHBondContact O-N 3.36Å; H920-K922 PolarHBondContact O-N 3.3Å; H920-P923 VanDerWaalsContact O-CD 3.29Å; H920-P923 WeakPolarHBondContact O-CD 3.37Å |
| 921 | I | 79.9 | Confident | 77.9 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -72.7 | -8.6 | 177.1 | -161.8 | 62.3 | 0 | 0 | 0 | 113.4 | M884 V888 F910 V914 V917 K918 H919 Y924 L925 L957 | M884-I921 HydrophobicContact CE-CD1 3.76Å; V888-I921 HydrophobicContact CG1-CD1 4.27Å; V888-I921 HydrophobicContact CG2-CD1 4.04Å; F910-I921 HydrophobicContact CZ-CD1 4.29Å; V914-I921 HydrophobicContact CG2-CG1 4.37Å; V917-I921 HydrophobicContact CG1-CB 4.19Å; K918-I921 WeakPolarHBondContact O-CG2 3.36Å; H919-I921 VanDerWaalsContact C-N 3.28Å; H919-I921 PolarHBondContact O-N 3.01Å; I921-Y924 PolarHBondContact O-N 3.45Å; I921-L925 HydrophobicContact CG2-CD2 3.95Å; I921-L925 HydrophobicContact CG2-CG 4.47Å; I921-L957 HydrophobicContact CG2-CD2 4.06Å |
| 922 | K | 76.9 | Confident | 78.1 | Confident | 123 Ų | 123 | 43.5 Ų | 43.5 | 54% | 0.535 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -47.9 | -44.8 | -172 | -176.2 | -178.5 | 177 | -175.3 | 0 | 115.6 | H920 Y924 L925 | H920-K922 PolarHBondContact O-N 3.3Å; K922-Y924 PolarHBondContact O-N 3.04Å; K922-L925 PolarHBondContact O-N 3.45Å |
| 923 | P | 79.1 | Confident | 78.2 | Confident | 89 Ų | 89 | 46.3 Ų | 46.3 | 58% | 0.578 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -61.7 | -26.2 | -177.7 | -20.5 | 32.8 | 0 | 0 | 0 | 113.4 | H920 | H920-P923 VanDerWaalsContact O-CD 3.29Å; H920-P923 WeakPolarHBondContact O-CD 3.37Å |
| 924 | Y | 81.5 | Confident | 78.1 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 11% | 0.106 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -100.5 | -0.8 | -171.1 | -56.3 | -71.3 | 0 | 0 | 0 | 113.6 | M884 D885 V888 P889 I921 K922 S926 E927 V928 | M884-Y924 HydrophobicContact CB-CE2 4.5Å; D885-Y924 VanDerWaalsContact CA-OH 3.24Å; D885-Y924 WeakPolarHBondContact CA-OH 3.37Å; D885-Y924 VanDerWaalsContact CG-OH 3.26Å; D885-Y924 PolarHBondContact OD1-OH 3.5Å; V888-Y924 HydrophobicContact CB-CD1 4.36Å; V888-Y924 HydrophobicContact CB-CD2 4.19Å; V888-Y924 HydrophobicContact CB-CG 4.13Å; V888-Y924 HydrophobicContact CG1-CD1 3.93Å; V888-Y924 HydrophobicContact CG1-CD2 4.02Å; V888-Y924 HydrophobicContact CG1-CG 3.56Å; V888-Y924 HydrophobicContact CG2-CD2 4.47Å; P889-Y924 HydrophobicContact CG-CE1 3.97Å; I921-Y924 PolarHBondContact O-N 3.45Å; K922-Y924 PolarHBondContact O-N 3.04Å; Y924-S926 VanDerWaalsContact C-N 3.31Å; Y924-S926 PolarHBondContact O-N 2.96Å; Y924-E927 PolarHBondContact O-N 3.35Å; Y924-V928 WeakPolarHBondContact O-CG2 3.35Å; Y924-V928 PolarHBondContact O-N 3.28Å; Y924-V928 VanDerWaalsContact O-N 3.13Å |
| 925 | L | 78.4 | Confident | 78.1 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.1 | -36.9 | -172.1 | -74.4 | 175.8 | 0 | 0 | 0 | 113.5 | I921 K922 E927 V928 F929 L953 L957 Y964 | I921-L925 HydrophobicContact CG2-CD2 3.95Å; I921-L925 HydrophobicContact CG2-CG 4.47Å; K922-L925 PolarHBondContact O-N 3.45Å; L925-E927 PolarHBondContact O-N 3.07Å; L925-V928 PolarHBondContact O-N 3.33Å; L925-F929 HydrophobicContact CB-CD2 4.33Å; L925-F929 HydrophobicContact CB-CE2 4.2Å; L925-F929 HydrophobicContact CD2-CE2 4.18Å; L925-F929 WeakPolarHBondContact O-CD2 3.2Å; L925-F929 PolarHBondContact O-N 2.87Å; L925-L953 HydrophobicContact CD2-CD2 4.03Å; L925-L957 HydrophobicContact CD1-CD1 3.74Å; L925-L957 HydrophobicContact CD1-CD2 3.93Å; L925-L957 HydrophobicContact CD2-CD1 3.71Å; L925-L957 HydrophobicContact CG-CD1 4.4Å; L925-Y964 HydrophobicContact CB-CE2 4.26Å; L925-Y964 HydrophobicContact CD1-CE2 4Å |
| 926 | S | 79 | Confident | 78.2 | Confident | 62 Ų | 62 | 51 Ų | 51 | 43% | 0.434 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.5 | -49.9 | 176.8 | 46.4 | 0 | 0 | 0 | 0 | 111.6 | Y924 V928 F929 D930 | Y924-S926 VanDerWaalsContact C-N 3.31Å; Y924-S926 PolarHBondContact O-N 2.96Å; S926-V928 VanDerWaalsContact C-N 3.33Å; S926-V928 PolarHBondContact O-N 3.31Å; S926-F929 PolarHBondContact O-N 2.84Å; S926-D930 PolarHBondContact O-N 3.26Å |
| 927 | E | 78.9 | Confident | 78 | Confident | 74 Ų | 74 | 52.8 Ų | 52.8 | 35% | 0.346 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 179.9 | -63 | -175.6 | -165.5 | 0 | 0 | 112.1 | Y924 L925 D930 L931 | Y924-E927 PolarHBondContact O-N 3.35Å; L925-E927 PolarHBondContact O-N 3.07Å; E927-D930 PolarHBondContact O-N 2.97Å; E927-L931 WeakPolarHBondContact O-CG 3.41Å; E927-L931 PolarHBondContact O-N 3.42Å |
| 928 | V | 81.1 | Confident | 77.4 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 177.4 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | T892 F910 Y924 L925 S926 D930 L931 I932 L953 | T892-V928 HydrophobicContact CG2-CG2 4.44Å; F910-V928 HydrophobicContact CE1-CB 4.34Å; F910-V928 HydrophobicContact CE1-CG1 3.77Å; F910-V928 HydrophobicContact CE1-CG2 3.54Å; F910-V928 HydrophobicContact CZ-CG2 3.48Å; F910-V928 VanDerWaalsContact CZ-CG2 3.48Å; Y924-V928 WeakPolarHBondContact O-CG2 3.35Å; Y924-V928 PolarHBondContact O-N 3.28Å; Y924-V928 VanDerWaalsContact O-N 3.13Å; L925-V928 PolarHBondContact O-N 3.33Å; S926-V928 VanDerWaalsContact C-N 3.33Å; S926-V928 PolarHBondContact O-N 3.31Å; V928-D930 VanDerWaalsContact C-N 3.31Å; V928-D930 PolarHBondContact O-N 3.49Å; V928-L931 WeakPolarHBondContact O-CB 3.26Å; V928-L931 PolarHBondContact O-N 3.04Å; V928-I932 HydrophobicContact CG1-CD1 4.13Å; V928-I932 WeakPolarHBondContact O-CG1 3.49Å; V928-I932 PolarHBondContact O-N 2.96Å; V928-L953 HydrophobicContact CG1-CD1 4.09Å |
| 929 | F | 80.8 | Confident | 76.5 | Confident | 3 Ų | 3 | 59 Ų | 59 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.4 | -30.9 | 177.7 | -75.6 | -64.9 | 0 | 0 | 0 | 112.7 | L925 S926 I932 R933 L950 F961 Y964 L968 | L925-F929 HydrophobicContact CB-CD2 4.33Å; L925-F929 HydrophobicContact CB-CE2 4.2Å; L925-F929 HydrophobicContact CD2-CE2 4.18Å; L925-F929 WeakPolarHBondContact O-CD2 3.2Å; L925-F929 PolarHBondContact O-N 2.87Å; S926-F929 PolarHBondContact O-N 2.84Å; F929-I932 HydrophobicContact CD1-CD1 4.21Å; F929-I932 PolarHBondContact O-N 3.09Å; F929-R933 PolarHBondContact O-N 3.49Å; F929-L950 HydrophobicContact CE1-CD2 4.19Å; F929-F961 AromaticContact CE1-CE2 3.7Å; F929-F961 HydrophobicContact CE1-CE2 3.7Å; F929-F961 HydrophobicContact CE1-CZ 4.33Å; F929-F961 AromaticContact CZ-CD2 3.85Å; F929-F961 HydrophobicContact CZ-CD2 3.85Å; F929-F961 AromaticContact CZ-CE2 3.46Å; F929-F961 HydrophobicContact CZ-CE2 3.46Å; F929-F961 VanDerWaalsContact CZ-CE2 3.46Å; F929-F961 HydrophobicContact CZ-CZ 4.43Å; F929-Y964 AromaticContact CD2-CD1 3.54Å; F929-Y964 HydrophobicContact CD2-CD1 3.54Å; F929-Y964 HydrophobicContact CD2-CD2 4.23Å; F929-Y964 HydrophobicContact CD2-CE1 4.23Å; F929-Y964 AromaticContact CD2-CG 3.54Å; F929-Y964 HydrophobicContact CD2-CG 3.54Å; F929-Y964 AromaticContact CE2-CD1 3.85Å; F929-Y964 HydrophobicContact CE2-CD1 3.85Å; F929-Y964 AromaticContact CE2-CD2 3.66Å; F929-Y964 HydrophobicContact CE2-CD2 3.66Å; F929-Y964 HydrophobicContact CE2-CE2 4.38Å; F929-Y964 AromaticContact CE2-CG 3.34Å; F929-Y964 HydrophobicContact CE2-CG 3.34Å; F929-Y964 HydrophobicContact CG-CD1 4.4Å; F929-Y964 HydrophobicContact CG-CG 4.46Å; F929-Y964 HydrophobicContact CZ-CD2 4.43Å; F929-Y964 HydrophobicContact CZ-CG 4.11Å; F929-L968 HydrophobicContact CD1-CD1 3.75Å; F929-L968 HydrophobicContact CD1-CD2 4.21Å; F929-L968 HydrophobicContact CD1-CG 4.14Å; F929-L968 HydrophobicContact CE1-CD1 3.55Å; F929-L968 HydrophobicContact CE1-CG 4.4Å |
| 930 | D | 79.5 | Confident | 75.9 | Confident | 74 Ų | 74 | 55 Ų | 55 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 172.8 | -73.6 | -27.6 | 0 | 0 | 0 | 111.5 | S926 E927 V928 R933 E934 | S926-D930 PolarHBondContact O-N 3.26Å; E927-D930 PolarHBondContact O-N 2.97Å; V928-D930 VanDerWaalsContact C-N 3.31Å; V928-D930 PolarHBondContact O-N 3.49Å; D930-R933 PolarHBondContact O-N 3.2Å; D930-R933 IonicContact OD1-CZ 3.18Å; D930-R933 IonicContact OD1-NH1 2.75Å; D930-R933 PolarHBondContact OD1-NH1 2.89Å; D930-R933 IonicContact OD1-NH2 3.36Å; D930-E934 PolarHBondContact O-N 2.9Å |
| 931 | L | 80.4 | Confident | 75.5 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 171.9 | -73.3 | 172.4 | 0 | 0 | 0 | 112.6 | T892 I895 R896 F907 E927 V928 R933 E934 F935 | T892-L931 HydrophobicContact CG2-CD1 3.5Å; I895-L931 HydrophobicContact CG2-CD1 4.37Å; I895-L931 HydrophobicContact CG2-CD2 4.21Å; R896-L931 HydrophobicContact CG-CD2 3.36Å; F907-L931 HydrophobicContact CE1-CB 4.5Å; F907-L931 HydrophobicContact CZ-CB 4.49Å; E927-L931 WeakPolarHBondContact O-CG 3.41Å; E927-L931 PolarHBondContact O-N 3.42Å; V928-L931 WeakPolarHBondContact O-CB 3.26Å; V928-L931 PolarHBondContact O-N 3.04Å; L931-R933 PolarHBondContact O-N 3.45Å; L931-E934 PolarHBondContact O-N 3.27Å; L931-F935 HydrophobicContact CD2-CE2 4.1Å; L931-F935 VanDerWaalsContact O-CD2 3.32Å; L931-F935 WeakPolarHBondContact O-CD2 3.35Å; L931-F935 PolarHBondContact O-N 3.08Å |
| 932 | I | 81.6 | Confident | 75 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.9 | -41.5 | 177.4 | -70.7 | 173 | 0 | 0 | 0 | 109.9 | V928 F929 W936 I946 L949 L950 L953 L968 | V928-I932 HydrophobicContact CG1-CD1 4.13Å; V928-I932 WeakPolarHBondContact O-CG1 3.49Å; V928-I932 PolarHBondContact O-N 2.96Å; F929-I932 HydrophobicContact CD1-CD1 4.21Å; F929-I932 PolarHBondContact O-N 3.09Å; I932-W936 HydrophobicContact CG2-CE3 3.78Å; I932-W936 HydrophobicContact CG2-CZ3 4.24Å; I932-W936 WeakPolarHBondContact O-CB 3.47Å; I932-W936 PolarHBondContact O-N 3.25Å; I932-W936 VanDerWaalsContact O-N 3.14Å; I932-I946 HydrophobicContact CB-CG2 4.38Å; I932-I946 HydrophobicContact CG1-CG2 4.16Å; I932-I946 HydrophobicContact CG2-CG2 3.74Å; I932-L949 HydrophobicContact CD1-CD2 4.05Å; I932-L949 HydrophobicContact CG1-CD2 4.23Å; I932-L950 HydrophobicContact CD1-CD2 3.83Å; I932-L950 HydrophobicContact CG2-CD2 4.46Å; I932-L953 HydrophobicContact CD1-CD1 3.88Å; I932-L968 HydrophobicContact CG2-CD2 3.73Å |
| 933 | R | 78.2 | Confident | 75 | Confident | 117 Ų | 117 | 51.4 Ų | 51.4 | 44% | 0.442 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.7 | -42.5 | 179 | -167.8 | -174.1 | -57.9 | 130.8 | 12.5 | 112.3 | F929 D930 L931 F935 | F929-R933 PolarHBondContact O-N 3.49Å; D930-R933 PolarHBondContact O-N 3.2Å; D930-R933 IonicContact OD1-CZ 3.18Å; D930-R933 IonicContact OD1-NH1 2.75Å; D930-R933 PolarHBondContact OD1-NH1 2.89Å; D930-R933 IonicContact OD1-NH2 3.36Å; L931-R933 PolarHBondContact O-N 3.45Å; R933-F935 VanDerWaalsContact C-N 3.33Å; R933-F935 PolarHBondContact O-N 3.1Å |
| 934 | E | 79 | Confident | 74.8 | Confident | 113 Ų | 113 | 50.4 Ų | 50.4 | 53% | 0.528 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | -178.4 | -169.6 | 174.1 | -177.5 | 0 | 0 | 111.9 | D930 L931 | D930-E934 PolarHBondContact O-N 2.9Å; L931-E934 PolarHBondContact O-N 3.27Å |
| 935 | F | 76.6 | Confident | 74.7 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 11% | 0.105 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -100.9 | -4.6 | -173.8 | -62.9 | -69.3 | 0 | 0 | 0 | 115.6 | I895 R903 F907 L931 R933 T937 T940 I946 | I895-F935 HydrophobicContact CG2-CE2 4.4Å; R903-F935 VanDerWaalsContact CZ-CE1 3.4Å; F907-F935 HydrophobicContact CE2-CB 4.33Å; F907-F935 HydrophobicContact CE2-CD2 4.16Å; F907-F935 HydrophobicContact CE2-CG 4.4Å; F907-F935 HydrophobicContact CZ-CB 4.46Å; F907-F935 AromaticContact CZ-CD2 3.94Å; F907-F935 HydrophobicContact CZ-CD2 3.94Å; L931-F935 HydrophobicContact CD2-CE2 4.1Å; L931-F935 VanDerWaalsContact O-CD2 3.32Å; L931-F935 WeakPolarHBondContact O-CD2 3.35Å; L931-F935 PolarHBondContact O-N 3.08Å; R933-F935 VanDerWaalsContact C-N 3.33Å; R933-F935 PolarHBondContact O-N 3.1Å; F935-T937 PolarHBondContact O-N 3.24Å; F935-T940 PolarHBondContact O-OG1 2.91Å; F935-I946 HydrophobicContact CB-CD1 4.4Å |
| 936 | W | 77.3 | Confident | 74.8 | Confident | 18 Ų | 18 | 49.8 Ų | 49.8 | 7% | 0.068 | 26% | 0.258 | C | S | . | . | trans | -81.7 | 75.7 | 175.8 | -163.1 | -53.8 | 0 | 0 | 0 | 112.2 | I932 I946 I947 L950 V975 | I932-W936 HydrophobicContact CG2-CE3 3.78Å; I932-W936 HydrophobicContact CG2-CZ3 4.24Å; I932-W936 WeakPolarHBondContact O-CB 3.47Å; I932-W936 PolarHBondContact O-N 3.25Å; I932-W936 VanDerWaalsContact O-N 3.14Å; W936-I946 HydrophobicContact CD2-CG2 4.48Å; W936-I946 HydrophobicContact CE3-CB 4.16Å; W936-I946 HydrophobicContact CE3-CG2 3.38Å; W936-I946 HydrophobicContact CZ3-CB 4.2Å; W936-I946 HydrophobicContact CZ3-CG2 3.5Å; W936-I947 HydrophobicContact CH2-CD1 4.4Å; W936-I947 HydrophobicContact CH2-CG1 3.45Å; W936-I947 VanDerWaalsContact CH2-CG1 3.45Å; W936-I947 HydrophobicContact CZ2-CD1 4.36Å; W936-I947 HydrophobicContact CZ2-CG1 3.88Å; W936-I947 HydrophobicContact CZ3-CG1 4.3Å; W936-L950 HydrophobicContact CE3-CD1 4.47Å; W936-L950 HydrophobicContact CH2-CD1 3.54Å; W936-L950 HydrophobicContact CZ3-CD1 3.3Å; W936-L950 HydrophobicContact CZ3-CG 4.04Å; W936-V975 HydrophobicContact CZ2-CG2 4.24Å | ||
| 937 | T | 68.1 | Low | 74.8 | Confident | 59 Ų | 59 | 46.8 Ų | 46.8 | 36% | 0.362 | 24% | 0.238 | S | C | . | . | trans | -113 | 158.2 | 179.5 | 64.8 | 0 | 0 | 0 | 0 | 112.9 | F935 Q939 T940 R943 | F935-T937 PolarHBondContact O-N 3.24Å; T937-Q939 PolarHBondContact O-N 2.99Å; T937-Q939 VanDerWaalsContact O-N 3.16Å; T937-T940 PolarHBondContact O-OG1 2.61Å; T937-T940 VanDerWaalsContact O-OG1 3.13Å; T937-T940 PolarHBondContact OG1-OG1 2.91Å; T937-R943 WeakPolarHBondContact O-CD 3.47Å; T937-R943 PolarHBondContact O-NE 3.4Å | ||
| 938 | P | 62.4 | Low | 74.9 | Confident | 71 Ų | 71 | 46.7 Ų | 46.7 | 46% | 0.461 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 0.9 | -175.2 | 15.2 | -12 | 0 | 0 | 0 | 115.5 | R943 | P938-R943 VanDerWaalsContact C-CZ 3.43Å; P938-R943 VanDerWaalsContact O-CZ 3.26Å; P938-R943 PolarHBondContact O-NH1 3.14Å; P938-R943 PolarHBondContact O-NH2 2.96Å |
| 939 | Q | 58.4 | Low | 74.9 | Confident | 183 Ų | 183 | 46.6 Ų | 46.6 | 86% | 0.855 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | -11.6 | -179.6 | -67.2 | -178.4 | -5.2 | 0 | 0 | 113.5 | T937 | T937-Q939 PolarHBondContact O-N 2.99Å; T937-Q939 VanDerWaalsContact O-N 3.16Å |
| 940 | T | 63.2 | Low | 75 | Confident | 31 Ų | 31 | 46.7 Ų | 46.7 | 19% | 0.19 | 24% | 0.238 | C | C | . | . | trans | -84.4 | 138.5 | -176 | 39.3 | 0 | 0 | 0 | 0 | 112.8 | F935 T937 M942 R943 | F935-T940 PolarHBondContact O-OG1 2.91Å; T937-T940 PolarHBondContact O-OG1 2.61Å; T937-T940 VanDerWaalsContact O-OG1 3.13Å; T937-T940 PolarHBondContact OG1-OG1 2.91Å; T940-M942 VanDerWaalsContact C-N 3.27Å; T940-R943 PolarHBondContact O-NE 3.42Å; T940-R943 PolarHBondContact O-NH2 3.49Å | ||
| 941 | P | 65.3 | Low | 74.9 | Confident | 97 Ų | 97 | 45.2 Ų | 45.2 | 63% | 0.63 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -22.5 | 171.9 | 27.6 | -33 | 0 | 0 | 0 | 112.8 | R943 | P941-R943 PolarHBondContact O-N 3.2Š|
| 942 | M | 70.2 | Confident | 74.7 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.02 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -3 | -177.8 | -52.2 | 178.1 | -153.5 | 0 | 0 | 115.2 | P900 R903 E904 T940 L944 T945 I946 | P900-M942 HydrophobicContact CB-CE 3.64Å; P900-M942 WeakPolarHBondContact O-CE 3.44Å; R903-M942 HydrophobicContact CB-CE 4.4Å; R903-M942 HydrophobicContact CB-SD 4.28Å; R903-M942 HydrophobicContact CG-SD 4.36Å; E904-M942 HydrophobicContact CB-CG 4.04Å; E904-M942 HydrophobicContact CB-SD 4.49Å; E904-M942 HydrophobicContact CG-CG 4.29Å; T940-M942 VanDerWaalsContact C-N 3.27Å; M942-L944 PolarHBondContact O-N 2.86Å; M942-T945 PolarHBondContact O-N 3.37Å; M942-T945 PolarHBondContact O-OG1 2.83Å; M942-I946 HydrophobicContact CB-CD1 4.42Å; M942-I946 WeakPolarHBondContact O-CG1 3.43Å; M942-I946 PolarHBondContact O-N 2.84Å; M942-I946 VanDerWaalsContact O-N 3.09Å |
| 943 | R | 75.3 | Confident | 74.6 | Confident | 27 Ų | 27 | 47 Ų | 47 | 10% | 0.102 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.3 | -33.2 | -178 | -81 | 177.8 | -83.6 | 178.6 | -7.7 | 112.5 | T937 P938 T940 P941 I947 V986 | T937-R943 WeakPolarHBondContact O-CD 3.47Å; T937-R943 PolarHBondContact O-NE 3.4Å; P938-R943 VanDerWaalsContact C-CZ 3.43Å; P938-R943 VanDerWaalsContact O-CZ 3.26Å; P938-R943 PolarHBondContact O-NH1 3.14Å; P938-R943 PolarHBondContact O-NH2 2.96Å; T940-R943 PolarHBondContact O-NE 3.42Å; T940-R943 PolarHBondContact O-NH2 3.49Å; P941-R943 PolarHBondContact O-N 3.2Å; R943-I947 WeakPolarHBondContact O-CD1 3.49Å; R943-I947 WeakPolarHBondContact O-CG1 3.45Å; R943-I947 PolarHBondContact O-N 2.72Å; R943-I947 VanDerWaalsContact O-N 3.08Å; R943-V986 HydrophobicContact CB-CG1 4.14Å |
| 944 | L | 76.6 | Confident | 74.4 | Confident | 68 Ų | 68 | 41.8 Ų | 41.8 | 36% | 0.356 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.7 | -45.2 | 177.6 | -68.1 | 173.9 | 0 | 0 | 0 | 112.1 | M942 I947 M948 V986 K989 | M942-L944 PolarHBondContact O-N 2.86Å; L944-I947 PolarHBondContact O-N 2.6Å; L944-M948 WeakPolarHBondContact O-CG 3.49Å; L944-M948 PolarHBondContact O-N 2.98Å; L944-M948 VanDerWaalsContact O-N 3.08Å; L944-V986 HydrophobicContact CD2-CB 4.39Å; L944-V986 HydrophobicContact CD2-CG2 3.96Å; L944-V986 HydrophobicContact CG-CG2 4.24Å; L944-K989 HydrophobicContact CD2-CB 4.21Å |
| 945 | T | 77.4 | Confident | 74.2 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 9% | 0.092 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.5 | -37 | 179.5 | 50 | 0 | 0 | 0 | 0 | 111.9 | E904 M942 I947 M948 L949 | E904-T945 HydrophobicContact CG-CG2 3.69Å; M942-T945 PolarHBondContact O-N 3.37Å; M942-T945 PolarHBondContact O-OG1 2.83Å; T945-I947 PolarHBondContact O-N 2.92Å; T945-M948 WeakPolarHBondContact O-CB 3.47Å; T945-M948 PolarHBondContact O-N 3.11Å; T945-L949 PolarHBondContact O-N 3.13Å |
| 946 | I | 81.6 | Confident | 74 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.8 | -37.5 | 175.6 | -56.1 | 168.5 | 0 | 0 | 0 | 111.3 | I932 F935 W936 M942 M948 L949 L950 | I932-I946 HydrophobicContact CB-CG2 4.38Å; I932-I946 HydrophobicContact CG1-CG2 4.16Å; I932-I946 HydrophobicContact CG2-CG2 3.74Å; F935-I946 HydrophobicContact CB-CD1 4.4Å; W936-I946 HydrophobicContact CD2-CG2 4.48Å; W936-I946 HydrophobicContact CE3-CB 4.16Å; W936-I946 HydrophobicContact CE3-CG2 3.38Å; W936-I946 HydrophobicContact CZ3-CB 4.2Å; W936-I946 HydrophobicContact CZ3-CG2 3.5Å; M942-I946 HydrophobicContact CB-CD1 4.42Å; M942-I946 WeakPolarHBondContact O-CG1 3.43Å; M942-I946 PolarHBondContact O-N 2.84Å; M942-I946 VanDerWaalsContact O-N 3.09Å; I946-M948 VanDerWaalsContact C-N 3.34Å; I946-L949 WeakPolarHBondContact O-CB 3.26Å; I946-L949 PolarHBondContact O-N 3.02Å; I946-L950 PolarHBondContact O-N 2.84Å |
| 947 | I | 79.7 | Confident | 73.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 174.1 | -69.4 | 162.3 | 0 | 0 | 0 | 111 | W936 R943 L944 T945 L949 L950 E951 V986 K989 L990 A993 | W936-I947 HydrophobicContact CH2-CD1 4.4Å; W936-I947 HydrophobicContact CH2-CG1 3.45Å; W936-I947 VanDerWaalsContact CH2-CG1 3.45Å; W936-I947 HydrophobicContact CZ2-CD1 4.36Å; W936-I947 HydrophobicContact CZ2-CG1 3.88Å; W936-I947 HydrophobicContact CZ3-CG1 4.3Å; R943-I947 WeakPolarHBondContact O-CD1 3.49Å; R943-I947 WeakPolarHBondContact O-CG1 3.45Å; R943-I947 PolarHBondContact O-N 2.72Å; R943-I947 VanDerWaalsContact O-N 3.08Å; L944-I947 PolarHBondContact O-N 2.6Å; T945-I947 PolarHBondContact O-N 2.92Å; I947-L949 VanDerWaalsContact C-N 3.33Å; I947-L949 PolarHBondContact O-N 3.25Å; I947-L950 WeakPolarHBondContact O-CB 3.3Å; I947-L950 PolarHBondContact O-N 3.01Å; I947-E951 PolarHBondContact O-N 3.44Å; I947-V986 HydrophobicContact CD1-CG1 3.65Å; I947-K989 HydrophobicContact CG2-CG 4.05Å; I947-L990 HydrophobicContact CD1-CB 4.11Å; I947-L990 HydrophobicContact CG1-CD1 4.44Å; I947-A993 HydrophobicContact CG2-CB 3.83Å |
| 948 | M | 79.7 | Confident | 74.1 | Confident | 71 Ų | 71 | 36.3 Ų | 36.3 | 35% | 0.35 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 174.2 | -70.6 | 176.6 | 61.6 | 0 | 0 | 111.9 | L944 T945 I946 L950 E951 Q952 | L944-M948 WeakPolarHBondContact O-CG 3.49Å; L944-M948 PolarHBondContact O-N 2.98Å; L944-M948 VanDerWaalsContact O-N 3.08Å; T945-M948 WeakPolarHBondContact O-CB 3.47Å; T945-M948 PolarHBondContact O-N 3.11Å; I946-M948 VanDerWaalsContact C-N 3.34Å; M948-L950 VanDerWaalsContact C-N 3.33Å; M948-L950 PolarHBondContact O-N 2.98Å; M948-E951 WeakPolarHBondContact O-CB 3.34Å; M948-E951 PolarHBondContact O-N 2.61Å; M948-Q952 WeakPolarHBondContact O-CG 3.43Å; M948-Q952 PolarHBondContact O-N 2.92Å |
| 949 | L | 81.7 | Confident | 74.5 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 174.2 | 176 | 64.2 | 0 | 0 | 0 | 111.7 | F907 F910 G911 V914 I932 T945 I946 I947 E951 Q952 L953 | F907-L949 HydrophobicContact CD1-CD2 3.88Å; F907-L949 HydrophobicContact CE1-CD2 4.37Å; F910-L949 HydrophobicContact CD1-CD1 3.96Å; F910-L949 HydrophobicContact CD1-CD2 4.25Å; G911-L949 VanDerWaalsContact CA-CD1 3.47Å; V914-L949 HydrophobicContact CG2-CD1 4.29Å; I932-L949 HydrophobicContact CD1-CD2 4.05Å; I932-L949 HydrophobicContact CG1-CD2 4.23Å; T945-L949 PolarHBondContact O-N 3.13Å; I946-L949 WeakPolarHBondContact O-CB 3.26Å; I946-L949 PolarHBondContact O-N 3.02Å; I947-L949 VanDerWaalsContact C-N 3.33Å; I947-L949 PolarHBondContact O-N 3.25Å; L949-E951 VanDerWaalsContact C-N 3.34Å; L949-Q952 PolarHBondContact O-N 3.31Å; L949-L953 HydrophobicContact CD1-CD1 4.23Å; L949-L953 HydrophobicContact CD1-CG 4.24Å; L949-L953 HydrophobicContact CG-CD1 3.94Å; L949-L953 HydrophobicContact CG-CG 4.42Å; L949-L953 WeakPolarHBondContact O-CB 3.3Å; L949-L953 WeakPolarHBondContact O-CG 3.46Å; L949-L953 PolarHBondContact O-N 3.32Å |
| 950 | L | 82 | Confident | 75 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 175 | -74.4 | -173.7 | 0 | 0 | 0 | 112.4 | F929 I932 W936 I946 I947 M948 Q952 L953 A954 F961 L968 M972 | F929-L950 HydrophobicContact CE1-CD2 4.19Å; I932-L950 HydrophobicContact CD1-CD2 3.83Å; I932-L950 HydrophobicContact CG2-CD2 4.46Å; W936-L950 HydrophobicContact CE3-CD1 4.47Å; W936-L950 HydrophobicContact CH2-CD1 3.54Å; W936-L950 HydrophobicContact CZ3-CD1 3.3Å; W936-L950 HydrophobicContact CZ3-CG 4.04Å; I946-L950 PolarHBondContact O-N 2.84Å; I947-L950 WeakPolarHBondContact O-CB 3.3Å; I947-L950 PolarHBondContact O-N 3.01Å; M948-L950 VanDerWaalsContact C-N 3.33Å; M948-L950 PolarHBondContact O-N 2.98Å; L950-Q952 VanDerWaalsContact C-N 3.32Å; L950-Q952 PolarHBondContact O-N 3.24Å; L950-L953 HydrophobicContact CD2-CD1 4.5Å; L950-L953 PolarHBondContact O-N 2.93Å; L950-A954 VanDerWaalsContact O-CB 3.27Å; L950-A954 WeakPolarHBondContact O-CB 3.42Å; L950-A954 PolarHBondContact O-N 3.42Å; L950-F961 HydrophobicContact CD2-CZ 4.4Å; L950-L968 HydrophobicContact CD1-CD1 4.19Å; L950-L968 HydrophobicContact CD2-CD1 3.49Å; L950-L968 VanDerWaalsContact CD2-CD1 3.49Å; L950-M972 HydrophobicContact CD1-CE 3.68Å |
| 951 | E | 77.6 | Confident | 75.6 | Confident | 44 Ų | 44 | 31.1 Ų | 31.1 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 175 | -168.4 | -177.4 | 165.1 | 0 | 0 | 110.9 | I947 M948 L949 S955 K989 A993 V996 | I947-E951 PolarHBondContact O-N 3.44Å; M948-E951 WeakPolarHBondContact O-CB 3.34Å; M948-E951 PolarHBondContact O-N 2.61Å; L949-E951 VanDerWaalsContact C-N 3.34Å; E951-S955 PolarHBondContact O-N 3.09Å; E951-S955 PolarHBondContact O-OG 3.31Å; E951-K989 WeakPolarHBondContact OE2-CE 3.49Å; E951-K989 IonicContact OE2-NZ 3.6Å; E951-K989 PolarHBondContact OE2-NZ 3.09Å; E951-A993 HydrophobicContact CB-CB 4.24Å; E951-V996 HydrophobicContact CG-CB 4.36Å; E951-V996 HydrophobicContact CG-CG1 4.48Å; E951-V996 HydrophobicContact CG-CG2 4.13Å |
| 952 | Q | 77.3 | Confident | 76 | Confident | 40 Ų | 40 | 29.6 Ų | 29.6 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.3 | -41 | 176.9 | -71.5 | 171.3 | -34.6 | 0 | 0 | 113 | G911 M948 L949 L950 S955 A956 | G911-Q952 PolarHBondContact O-OE1 3.22Å; M948-Q952 WeakPolarHBondContact O-CG 3.43Å; M948-Q952 PolarHBondContact O-N 2.92Å; L949-Q952 PolarHBondContact O-N 3.31Å; L950-Q952 VanDerWaalsContact C-N 3.32Å; L950-Q952 PolarHBondContact O-N 3.24Å; Q952-S955 WeakPolarHBondContact CA-OG 3.49Å; Q952-S955 PolarHBondContact O-OG 2.98Å; Q952-A956 WeakPolarHBondContact O-CB 3.3Å; Q952-A956 PolarHBondContact O-N 3.37Å |
| 953 | L | 78.2 | Confident | 76.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 175.2 | -78 | 166 | 0 | 0 | 0 | 111.6 | V914 L925 V928 I932 L949 L950 A956 L957 F961 | V914-L953 HydrophobicContact CB-CD2 4.49Å; V914-L953 HydrophobicContact CG1-CD2 3.65Å; V914-L953 HydrophobicContact CG1-CG 4.08Å; V914-L953 HydrophobicContact CG2-CD2 3.99Å; L925-L953 HydrophobicContact CD2-CD2 4.03Å; V928-L953 HydrophobicContact CG1-CD1 4.09Å; I932-L953 HydrophobicContact CD1-CD1 3.88Å; L949-L953 HydrophobicContact CD1-CD1 4.23Å; L949-L953 HydrophobicContact CD1-CG 4.24Å; L949-L953 HydrophobicContact CG-CD1 3.94Å; L949-L953 HydrophobicContact CG-CG 4.42Å; L949-L953 WeakPolarHBondContact O-CB 3.3Å; L949-L953 WeakPolarHBondContact O-CG 3.46Å; L949-L953 PolarHBondContact O-N 3.32Å; L950-L953 HydrophobicContact CD2-CD1 4.5Å; L950-L953 PolarHBondContact O-N 2.93Å; L953-A956 PolarHBondContact O-N 3.4Å; L953-L957 HydrophobicContact CD2-CD1 4.46Å; L953-L957 WeakPolarHBondContact O-CB 3.5Å; L953-L957 VanDerWaalsContact O-CG 3.25Å; L953-L957 WeakPolarHBondContact O-CG 3.23Å; L953-L957 PolarHBondContact O-N 3.37Å; L953-F961 HydrophobicContact CB-CE2 4.4Å |
| 954 | A | 75.2 | Confident | 76.4 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 7% | 0.066 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.6 | -42.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L950 G958 F961 T997 | L950-A954 VanDerWaalsContact O-CB 3.27Å; L950-A954 WeakPolarHBondContact O-CB 3.42Å; L950-A954 PolarHBondContact O-N 3.42Å; A954-G958 PolarHBondContact O-N 3.17Å; A954-F961 HydrophobicContact CB-CD1 4.41Å; A954-F961 HydrophobicContact CB-CE1 4.45Å; A954-F961 HydrophobicContact CB-CG 4.48Å; A954-T997 HydrophobicContact CB-CG2 3.17Å |
| 955 | S | 74.1 | Confident | 76.3 | Confident | 57 Ų | 57 | 32.9 Ų | 32.9 | 40% | 0.399 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.7 | -36.6 | 174 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | E951 Q952 | E951-S955 PolarHBondContact O-N 3.09Å; E951-S955 PolarHBondContact O-OG 3.31Å; Q952-S955 WeakPolarHBondContact CA-OG 3.49Å; Q952-S955 PolarHBondContact O-OG 2.98Å |
| 956 | A | 72.1 | Confident | 76.3 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 8% | 0.083 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.6 | -37.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V914 H919 Q952 L953 | V914-A956 HydrophobicContact CG1-CB 3.99Å; H919-A956 PolarHBondContact CE1-O 3.14Å; H919-A956 PolarHBondContact ND1-O 3Å; Q952-A956 WeakPolarHBondContact O-CB 3.3Å; Q952-A956 PolarHBondContact O-N 3.37Å; L953-A956 PolarHBondContact O-N 3.4Å |
| 957 | L | 73.4 | Confident | 76 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -99.5 | -24.8 | -171.8 | -62.6 | 169.6 | 0 | 0 | 0 | 114.1 | I921 L925 L953 S959 Q960 F961 | I921-L957 HydrophobicContact CG2-CD2 4.06Å; L925-L957 HydrophobicContact CD1-CD1 3.74Å; L925-L957 HydrophobicContact CD1-CD2 3.93Å; L925-L957 HydrophobicContact CD2-CD1 3.71Å; L925-L957 HydrophobicContact CG-CD1 4.4Å; L953-L957 HydrophobicContact CD2-CD1 4.46Å; L953-L957 WeakPolarHBondContact O-CB 3.5Å; L953-L957 VanDerWaalsContact O-CG 3.25Å; L953-L957 WeakPolarHBondContact O-CG 3.23Å; L953-L957 PolarHBondContact O-N 3.37Å; L957-S959 PolarHBondContact O-N 3.09Å; L957-Q960 PolarHBondContact O-N 3.15Å; L957-F961 HydrophobicContact CB-CB 4.35Å; L957-F961 HydrophobicContact CD1-CD2 4.23Å |
| 958 | G | 73.8 | Confident | 75.9 | Confident | 27 Ų | 27 | 38.3 Ų | 38.3 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | 57.5 | -124.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | A954 Q960 F961 | A954-G958 PolarHBondContact O-N 3.17Å; G958-Q960 PolarHBondContact O-N 3Å; G958-F961 WeakPolarHBondContact O-CB 3.25Å; G958-F961 PolarHBondContact O-N 2.92Å |
| 959 | S | 70.6 | Confident | 76 | Confident | 86 Ų | 86 | 35.1 Ų | 35.1 | 60% | 0.601 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -64.7 | -20.4 | -178.6 | 59.2 | 0 | 0 | 0 | 0 | 114.1 | L957 F961 K962 | L957-S959 PolarHBondContact O-N 3.09Å; S959-F961 PolarHBondContact O-N 3.42Å; S959-K962 WeakPolarHBondContact O-CG 3.5Å; S959-K962 PolarHBondContact O-N 2.97Å |
| 960 | Q | 69.1 | Low | 76 | Confident | 89 Ų | 89 | 38.5 Ų | 38.5 | 42% | 0.416 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -75 | -7.8 | 178.8 | -59.1 | -170.8 | 14.9 | 0 | 0 | 113.2 | L957 G958 K962 P963 | L957-Q960 PolarHBondContact O-N 3.15Å; G958-Q960 PolarHBondContact O-N 3Å; Q960-K962 VanDerWaalsContact C-N 3.32Å; Q960-P963 VanDerWaalsContact O-CD 3.22Å; Q960-P963 WeakPolarHBondContact O-CD 3.46Å |
| 961 | F | 76.3 | Confident | 75.7 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -72.1 | -24.4 | 173.6 | -172.2 | -109.3 | 0 | 0 | 0 | 112.8 | F929 L950 L953 A954 L957 G958 S959 Y964 V965 L968 A1000 | F929-F961 AromaticContact CE1-CE2 3.7Å; F929-F961 HydrophobicContact CE1-CE2 3.7Å; F929-F961 HydrophobicContact CE1-CZ 4.33Å; F929-F961 AromaticContact CZ-CD2 3.85Å; F929-F961 HydrophobicContact CZ-CD2 3.85Å; F929-F961 AromaticContact CZ-CE2 3.46Å; F929-F961 HydrophobicContact CZ-CE2 3.46Å; F929-F961 VanDerWaalsContact CZ-CE2 3.46Å; F929-F961 HydrophobicContact CZ-CZ 4.43Å; L950-F961 HydrophobicContact CD2-CZ 4.4Å; L953-F961 HydrophobicContact CB-CE2 4.4Å; A954-F961 HydrophobicContact CB-CD1 4.41Å; A954-F961 HydrophobicContact CB-CE1 4.45Å; A954-F961 HydrophobicContact CB-CG 4.48Å; L957-F961 HydrophobicContact CB-CB 4.35Å; L957-F961 HydrophobicContact CD1-CD2 4.23Å; G958-F961 WeakPolarHBondContact O-CB 3.25Å; G958-F961 PolarHBondContact O-N 2.92Å; S959-F961 PolarHBondContact O-N 3.42Å; F961-Y964 PolarHBondContact O-N 2.98Å; F961-Y964 VanDerWaalsContact O-N 3.11Å; F961-V965 HydrophobicContact CD1-CG2 3.35Å; F961-V965 HydrophobicContact CE1-CG2 3.43Å; F961-V965 VanDerWaalsContact CE1-CG2 3.43Å; F961-V965 HydrophobicContact CG-CG2 4.32Å; F961-V965 HydrophobicContact CZ-CG2 4.45Å; F961-V965 PolarHBondContact O-N 2.8Å; F961-L968 HydrophobicContact CZ-CD1 4.08Å; F961-A1000 HydrophobicContact CB-CB 4.28Å; F961-A1000 HydrophobicContact CD1-CB 3.98Å |
| 962 | K | 75.1 | Confident | 75.9 | Confident | 66 Ų | 66 | 37.3 Ų | 37.3 | 29% | 0.287 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -47.1 | -45.1 | -174.6 | -73.8 | -170.4 | 173.4 | -158 | 0 | 115.7 | S959 Q960 Y964 V965 C999 A1000 | S959-K962 WeakPolarHBondContact O-CG 3.5Å; S959-K962 PolarHBondContact O-N 2.97Å; Q960-K962 VanDerWaalsContact C-N 3.32Å; K962-Y964 VanDerWaalsContact C-N 3.27Å; K962-Y964 PolarHBondContact O-N 3.14Å; K962-V965 PolarHBondContact O-N 3.23Å; K962-C999 WeakPolarHBondContact CE-O 3.29Å; K962-A1000 HydrophobicContact CG-CB 4.21Å |
| 963 | P | 76.3 | Confident | 76 | Confident | 93 Ų | 93 | 37.2 Ų | 37.2 | 60% | 0.604 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -63.5 | -31.2 | -176.9 | -20.7 | 33.2 | 0 | 0 | 0 | 113.7 | Q960 | Q960-P963 VanDerWaalsContact O-CD 3.22Å; Q960-P963 WeakPolarHBondContact O-CD 3.46Å |
| 964 | Y | 75.7 | Confident | 76.1 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 29% | 0.29 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -90.6 | -20.2 | -172.9 | -58.3 | -76.6 | 0 | 0 | 0 | 113.1 | L925 F929 F961 K962 T966 S967 | L925-Y964 HydrophobicContact CB-CE2 4.26Å; L925-Y964 HydrophobicContact CD1-CE2 4Å; F929-Y964 AromaticContact CD2-CD1 3.54Å; F929-Y964 HydrophobicContact CD2-CD1 3.54Å; F929-Y964 HydrophobicContact CD2-CD2 4.23Å; F929-Y964 HydrophobicContact CD2-CE1 4.23Å; F929-Y964 AromaticContact CD2-CG 3.54Å; F929-Y964 HydrophobicContact CD2-CG 3.54Å; F929-Y964 AromaticContact CE2-CD1 3.85Å; F929-Y964 HydrophobicContact CE2-CD1 3.85Å; F929-Y964 AromaticContact CE2-CD2 3.66Å; F929-Y964 HydrophobicContact CE2-CD2 3.66Å; F929-Y964 HydrophobicContact CE2-CE2 4.38Å; F929-Y964 AromaticContact CE2-CG 3.34Å; F929-Y964 HydrophobicContact CE2-CG 3.34Å; F929-Y964 HydrophobicContact CG-CD1 4.4Å; F929-Y964 HydrophobicContact CG-CG 4.46Å; F929-Y964 HydrophobicContact CZ-CD2 4.43Å; F929-Y964 HydrophobicContact CZ-CG 4.11Å; F961-Y964 PolarHBondContact O-N 2.98Å; F961-Y964 VanDerWaalsContact O-N 3.11Å; K962-Y964 VanDerWaalsContact C-N 3.27Å; K962-Y964 PolarHBondContact O-N 3.14Å; Y964-T966 VanDerWaalsContact C-N 3.25Å; Y964-T966 PolarHBondContact O-N 3.47Å; Y964-S967 WeakPolarHBondContact O-CB 2.99Å; Y964-S967 PolarHBondContact O-N 3.11Å; Y964-S967 PolarHBondContact O-OG 3.04Å |
| 965 | V | 75.7 | Confident | 76.3 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -50.7 | -44.7 | 176.7 | 168.7 | 0 | 0 | 0 | 0 | 111.9 | F961 K962 S967 L968 M969 L1001 | F961-V965 HydrophobicContact CD1-CG2 3.35Å; F961-V965 HydrophobicContact CE1-CG2 3.43Å; F961-V965 VanDerWaalsContact CE1-CG2 3.43Å; F961-V965 HydrophobicContact CG-CG2 4.32Å; F961-V965 HydrophobicContact CZ-CG2 4.45Å; F961-V965 PolarHBondContact O-N 2.8Å; K962-V965 PolarHBondContact O-N 3.23Å; V965-S967 PolarHBondContact O-N 3.47Å; V965-S967 VanDerWaalsContact O-N 3.1Å; V965-L968 PolarHBondContact O-N 3.37Å; V965-M969 HydrophobicContact CG1-CG 4.05Å; V965-M969 HydrophobicContact CG1-SD 4.36Å; V965-M969 WeakPolarHBondContact O-CG 3.31Å; V965-M969 PolarHBondContact O-N 2.83Å; V965-L1001 HydrophobicContact CB-CD2 4.46Å; V965-L1001 HydrophobicContact CG1-CD2 3.4Å; V965-L1001 HydrophobicContact CG2-CD2 4.17Å |
| 966 | T | 76.5 | Confident | 76.5 | Confident | 88 Ų | 88 | 41.4 Ų | 41.4 | 54% | 0.54 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56 | -32.8 | -178.2 | -51.4 | 0 | 0 | 0 | 0 | 112.1 | Y964 H1004 | Y964-T966 VanDerWaalsContact C-N 3.25Å; Y964-T966 PolarHBondContact O-N 3.47Å; T966-H1004 PolarHBondContact OG1-NE2 2.97Å |
| 967 | S | 76 | Confident | 76.6 | Confident | 37 Ų | 37 | 45.7 Ų | 45.7 | 26% | 0.259 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -76.2 | -23.7 | 178.9 | 78.4 | 0 | 0 | 0 | 0 | 113.9 | Y964 V965 | Y964-S967 WeakPolarHBondContact O-CB 2.99Å; Y964-S967 PolarHBondContact O-N 3.11Å; Y964-S967 PolarHBondContact O-OG 3.04Å; V965-S967 PolarHBondContact O-N 3.47Å; V965-S967 VanDerWaalsContact O-N 3.1Å |
| 968 | L | 78.3 | Confident | 76.7 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -95.7 | -21.3 | -178.5 | -66 | 176.2 | 0 | 0 | 0 | 113.5 | F929 I932 L950 F961 V965 P970 S971 M972 | F929-L968 HydrophobicContact CD1-CD1 3.75Å; F929-L968 HydrophobicContact CD1-CD2 4.21Å; F929-L968 HydrophobicContact CD1-CG 4.14Å; F929-L968 HydrophobicContact CE1-CD1 3.55Å; F929-L968 HydrophobicContact CE1-CG 4.4Å; I932-L968 HydrophobicContact CG2-CD2 3.73Å; L950-L968 HydrophobicContact CD1-CD1 4.19Å; L950-L968 HydrophobicContact CD2-CD1 3.49Å; L950-L968 VanDerWaalsContact CD2-CD1 3.49Å; F961-L968 HydrophobicContact CZ-CD1 4.08Å; V965-L968 PolarHBondContact O-N 3.37Å; L968-P970 VanDerWaalsContact C-CD 3.48Å; L968-S971 WeakPolarHBondContact O-CB 3.35Å; L968-S971 PolarHBondContact O-N 2.93Å; L968-M972 HydrophobicContact CB-CE 4.24Å; L968-M972 HydrophobicContact CD1-CE 4.44Å; L968-M972 PolarHBondContact O-N 3.44Å |
| 969 | M | 81.4 | Confident | 76.7 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.02 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -49.4 | -45.9 | -178.8 | -84.8 | -56.3 | -52.6 | 0 | 0 | 114.3 | V965 S971 M972 L973 H1004 M1007 L1008 | V965-M969 HydrophobicContact CG1-CG 4.05Å; V965-M969 HydrophobicContact CG1-SD 4.36Å; V965-M969 WeakPolarHBondContact O-CG 3.31Å; V965-M969 PolarHBondContact O-N 2.83Å; M969-S971 VanDerWaalsContact C-N 3.3Å; M969-S971 PolarHBondContact O-N 3.25Å; M969-M972 PolarHBondContact O-N 3.35Å; M969-L973 HydrophobicContact CE-CD1 3.91Å; M969-L973 HydrophobicContact CE-CD2 4.12Å; M969-L973 HydrophobicContact CE-CG 3.86Å; M969-L973 VanDerWaalsContact O-CG 3.3Å; M969-L973 WeakPolarHBondContact O-CG 3.17Å; M969-L973 PolarHBondContact O-N 3.39Å; M969-H1004 HydrophobicContact CG-CB 4.46Å; M969-H1004 HydrophobicContact SD-CB 4.12Å; M969-M1007 HydrophobicContact CE-CB 3.97Å; M969-M1007 HydrophobicContact CE-CE 4.09Å; M969-M1007 HydrophobicContact CE-SD 4.49Å; M969-M1007 HydrophobicContact CG-CE 4.37Å; M969-L1008 HydrophobicContact CE-CD1 4.4Å; M969-L1008 HydrophobicContact CE-CD2 3.63Å; M969-L1008 HydrophobicContact CE-CG 3.71Å; M969-L1008 HydrophobicContact SD-CD1 4.09Å; M969-L1008 HydrophobicContact SD-CD2 4.03Å; M969-L1008 HydrophobicContact SD-CG 4.05Å |
| 970 | P | 80.7 | Confident | 76.6 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.8 | -38.8 | 177.5 | -24.3 | 34.8 | 0 | 0 | 0 | 113.4 | L968 R974 | L968-P970 VanDerWaalsContact C-CD 3.48Å; P970-R974 WeakPolarHBondContact O-CB 3.48Å; P970-R974 PolarHBondContact O-N 3.03Å; P970-R974 VanDerWaalsContact O-N 3.13Å |
| 971 | S | 76.9 | Confident | 76.7 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 11% | 0.112 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.9 | -42.2 | 179.2 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | L968 M969 R974 V975 | L968-S971 WeakPolarHBondContact O-CB 3.35Å; L968-S971 PolarHBondContact O-N 2.93Å; M969-S971 VanDerWaalsContact C-N 3.3Å; M969-S971 PolarHBondContact O-N 3.25Å; S971-R974 PolarHBondContact O-N 2.9Å; S971-V975 WeakPolarHBondContact O-CG2 3.34Å; S971-V975 PolarHBondContact O-N 3.23Å |
| 972 | M | 81.3 | Confident | 76.3 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 175.7 | -66.9 | -179 | 174.7 | 0 | 0 | 112 | L950 L968 M969 R974 V975 F976 L990 L994 | L950-M972 HydrophobicContact CD1-CE 3.68Å; L968-M972 HydrophobicContact CB-CE 4.24Å; L968-M972 HydrophobicContact CD1-CE 4.44Å; L968-M972 PolarHBondContact O-N 3.44Å; M969-M972 PolarHBondContact O-N 3.35Å; M972-R974 VanDerWaalsContact C-N 3.32Å; M972-R974 PolarHBondContact O-N 3.27Å; M972-V975 WeakPolarHBondContact O-CB 3.39Å; M972-V975 PolarHBondContact O-N 3.47Å; M972-F976 WeakPolarHBondContact O-CD2 3.19Å; M972-L990 HydrophobicContact CB-CD2 4.48Å; M972-L990 HydrophobicContact CG-CD1 4.26Å; M972-L994 HydrophobicContact SD-CD2 4.48Å |
| 973 | L | 80.3 | Confident | 76 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 20% | 0.204 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 178.9 | -68.8 | 174.2 | 0 | 0 | 0 | 112.5 | M969 V975 F976 L977 M1007 L1008 S1011 | M969-L973 HydrophobicContact CE-CD1 3.91Å; M969-L973 HydrophobicContact CE-CD2 4.12Å; M969-L973 HydrophobicContact CE-CG 3.86Å; M969-L973 VanDerWaalsContact O-CG 3.3Å; M969-L973 WeakPolarHBondContact O-CG 3.17Å; M969-L973 PolarHBondContact O-N 3.39Å; L973-V975 VanDerWaalsContact C-N 3.29Å; L973-V975 PolarHBondContact O-N 2.75Å; L973-F976 PolarHBondContact O-N 3.02Å; L973-L977 PolarHBondContact O-N 2.77Å; L973-M1007 HydrophobicContact CD1-CB 4.44Å; L973-L1008 HydrophobicContact CD2-CD2 4.22Å; L973-S1011 WeakPolarHBondContact CD2-OG 3.38Å |
| 974 | R | 79 | Confident | 76.2 | Confident | 136 Ų | 136 | 56.6 Ų | 56.6 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.9 | -33.8 | 178.3 | -166.1 | 178.5 | -64.1 | 167.8 | 0.1 | 112.4 | P970 S971 M972 L977 H978 | P970-R974 WeakPolarHBondContact O-CB 3.48Å; P970-R974 PolarHBondContact O-N 3.03Å; P970-R974 VanDerWaalsContact O-N 3.13Å; S971-R974 PolarHBondContact O-N 2.9Å; M972-R974 VanDerWaalsContact C-N 3.32Å; M972-R974 PolarHBondContact O-N 3.27Å; R974-L977 PolarHBondContact O-N 2.79Å; R974-H978 PolarHBondContact O-N 2.91Å; R974-H978 VanDerWaalsContact O-N 3.12Å |
| 975 | V | 80.1 | Confident | 76.3 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 175.8 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | W936 S971 M972 L973 L977 H978 D979 V986 L990 | W936-V975 HydrophobicContact CZ2-CG2 4.24Å; S971-V975 WeakPolarHBondContact O-CG2 3.34Å; S971-V975 PolarHBondContact O-N 3.23Å; M972-V975 WeakPolarHBondContact O-CB 3.39Å; M972-V975 PolarHBondContact O-N 3.47Å; L973-V975 VanDerWaalsContact C-N 3.29Å; L973-V975 PolarHBondContact O-N 2.75Å; V975-L977 PolarHBondContact O-N 2.68Å; V975-H978 PolarHBondContact O-N 2.94Å; V975-D979 WeakPolarHBondContact O-CB 3.45Å; V975-D979 PolarHBondContact O-N 2.98Å; V975-V986 HydrophobicContact CG1-CG1 3.87Å; V975-L990 HydrophobicContact CB-CD2 3.9Å; V975-L990 HydrophobicContact CG1-CD2 3.88Å; V975-L990 HydrophobicContact CG2-CD2 4.43Å |
| 976 | F | 78.2 | Confident | 76.5 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 4% | 0.039 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.7 | -25.3 | 179.3 | -64.4 | -59.8 | 0 | 0 | 0 | 114 | M972 L973 T987 L990 L991 L994 L1008 V1012 V1015 | M972-F976 WeakPolarHBondContact O-CD2 3.19Å; L973-F976 PolarHBondContact O-N 3.02Å; F976-T987 HydrophobicContact CD1-CG2 3.79Å; F976-T987 HydrophobicContact CE1-CG2 3.89Å; F976-L990 HydrophobicContact CE1-CD2 4.13Å; F976-L990 HydrophobicContact CE2-CD2 3.88Å; F976-L990 HydrophobicContact CZ-CD2 3.65Å; F976-L990 HydrophobicContact CZ-CG 4.08Å; F976-L991 HydrophobicContact CE1-CD2 3.94Å; F976-L991 HydrophobicContact CE1-CG 4.22Å; F976-L991 HydrophobicContact CZ-CD2 4.23Å; F976-L994 HydrophobicContact CE2-CD1 4.23Å; F976-L994 HydrophobicContact CZ-CD1 3.69Å; F976-L1008 HydrophobicContact CE2-CD2 4.45Å; F976-V1012 HydrophobicContact CZ-CG2 4.22Å; F976-V1015 HydrophobicContact CB-CG2 4.4Å; F976-V1015 HydrophobicContact CD1-CG2 3.9Å |
| 977 | L | 75 | Confident | 76.8 | Confident | 100 Ų | 100 | 51.5 Ų | 51.5 | 52% | 0.524 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -88.2 | -36.2 | -178.1 | -68.8 | 171 | 0 | 0 | 0 | 113.6 | L973 R974 V975 | L973-L977 PolarHBondContact O-N 2.77Å; R974-L977 PolarHBondContact O-N 2.79Å; V975-L977 PolarHBondContact O-N 2.68Å |
| 978 | H | 73.5 | Confident | 77.1 | Confident | 130 Ų | 130 | 50.9 Ų | 50.9 | 60% | 0.602 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -133.5 | 37.4 | -166.7 | -60.6 | -63.3 | 0 | 0 | 0 | 114.3 | R974 V975 T980 | R974-H978 PolarHBondContact O-N 2.91Å; R974-H978 VanDerWaalsContact O-N 3.12Å; V975-H978 PolarHBondContact O-N 2.94Å; H978-T980 PolarHBondContact O-N 3.27Å |
| 979 | D | 74.2 | Confident | 77.1 | Confident | 13 Ų | 13 | 53.8 Ų | 53.8 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | trans | -78.7 | 112.7 | 175.2 | -168.9 | 6.8 | 0 | 0 | 0 | 112.1 | V975 S981 R984 T987 | V975-D979 WeakPolarHBondContact O-CB 3.45Å; V975-D979 PolarHBondContact O-N 2.98Å; D979-S981 VanDerWaalsContact OD1-CB 3.22Å; D979-S981 WeakPolarHBondContact OD1-CB 3.21Å; D979-S981 PolarHBondContact OD1-N 3.35Å; D979-S981 PolarHBondContact OD1-OG 3Å; D979-S981 PolarHBondContact OD2-OG 3.16Å; D979-S981 VanDerWaalsContact OD2-OG 3.11Å; D979-R984 HydrophobicContact CB-CG 4.34Å; D979-R984 WeakPolarHBondContact OD2-CA 3.32Å; D979-R984 WeakPolarHBondContact OD2-CB 3.44Å; D979-T987 WeakPolarHBondContact CB-OG1 3.25Å; D979-T987 PolarHBondContact OD2-N 3.17Å; D979-T987 PolarHBondContact OD2-OG1 3.24Å | ||
| 980 | T | 69.8 | Low | 77.3 | Confident | 126 Ų | 126 | 53.7 Ų | 53.7 | 77% | 0.773 | 29% | 0.293 | S | S | * | . | trans | -100.4 | 5.5 | 173.6 | 58.3 | 0 | 0 | 0 | 0 | 113.2 | H978 | H978-T980 PolarHBondContact O-N 3.27Š| ||
| 981 | S | 71.5 | Confident | 77.5 | Confident | 34 Ų | 34 | 50.2 Ų | 50.2 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -66.2 | 147.4 | 179.6 | 63.3 | 0 | 0 | 0 | 0 | 112.1 | D979 G983 R984 A985 V986 | D979-S981 VanDerWaalsContact OD1-CB 3.22Å; D979-S981 WeakPolarHBondContact OD1-CB 3.21Å; D979-S981 PolarHBondContact OD1-N 3.35Å; D979-S981 PolarHBondContact OD1-OG 3Å; D979-S981 PolarHBondContact OD2-OG 3.16Å; D979-S981 VanDerWaalsContact OD2-OG 3.11Å; S981-G983 PolarHBondContact O-N 3.41Å; S981-R984 PolarHBondContact O-N 3.25Å; S981-R984 WeakPolarHBondContact OG-CA 3.43Å; S981-A985 PolarHBondContact OG-N 3.22Å; S981-V986 PolarHBondContact OG-N 2.93Å |
| 982 | E | 67 | Low | 77.6 | Confident | 189 Ų | 189 | 52.1 Ų | 52.1 | 88% | 0.883 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -56.8 | 124.9 | 176.3 | -69.5 | -166.9 | 163.1 | 0 | 0 | 110.3 | R984 A985 | E982-R984 PolarHBondContact O-N 3.07Å; E982-R984 VanDerWaalsContact O-N 3.11Å; E982-A985 PolarHBondContact O-N 3.34Å |
| 983 | G | 69.7 | Low | 77.5 | Confident | 51 Ų | 51 | 52 Ų | 52 | 53% | 0.526 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | 64.3 | 12.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S981 A985 | S981-G983 PolarHBondContact O-N 3.41Å; G983-A985 VanDerWaalsContact C-N 3.27Å; G983-A985 PolarHBondContact O-N 3.29Å |
| 984 | R | 79.4 | Confident | 77.6 | Confident | 52 Ų | 52 | 50.2 Ų | 50.2 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | 52 | 43 | -171.9 | -68.3 | -163.8 | 171.5 | 175.8 | 3 | 113.1 | D979 S981 E982 V986 T987 A988 V1025 | D979-R984 HydrophobicContact CB-CG 4.34Å; D979-R984 WeakPolarHBondContact OD2-CA 3.32Å; D979-R984 WeakPolarHBondContact OD2-CB 3.44Å; S981-R984 PolarHBondContact O-N 3.25Å; S981-R984 WeakPolarHBondContact OG-CA 3.43Å; E982-R984 PolarHBondContact O-N 3.07Å; E982-R984 VanDerWaalsContact O-N 3.11Å; R984-V986 PolarHBondContact O-N 3.1Å; R984-T987 WeakPolarHBondContact O-CB 3.49Å; R984-T987 PolarHBondContact O-N 3.22Å; R984-T987 VanDerWaalsContact O-N 3.15Å; R984-A988 PolarHBondContact O-N 3.16Å; R984-V1025 HydrophobicContact CB-CG2 4.44Å |
| 985 | A | 77.9 | Confident | 77.6 | Confident | 46 Ų | 46 | 45 Ų | 45 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.7 | -36.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S981 E982 G983 A988 K989 | S981-A985 PolarHBondContact OG-N 3.22Å; E982-A985 PolarHBondContact O-N 3.34Å; G983-A985 VanDerWaalsContact C-N 3.27Å; G983-A985 PolarHBondContact O-N 3.29Å; A985-A988 WeakPolarHBondContact O-CB 3.35Å; A985-A988 PolarHBondContact O-N 3.45Å; A985-K989 PolarHBondContact O-N 2.85Å |
| 986 | V | 79.5 | Confident | 77.2 | Confident | 10 Ų | 10 | 46 Ų | 46 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 177.2 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | R943 L944 I947 V975 S981 R984 A988 K989 L990 | R943-V986 HydrophobicContact CB-CG1 4.14Å; L944-V986 HydrophobicContact CD2-CB 4.39Å; L944-V986 HydrophobicContact CD2-CG2 3.96Å; L944-V986 HydrophobicContact CG-CG2 4.24Å; I947-V986 HydrophobicContact CD1-CG1 3.65Å; V975-V986 HydrophobicContact CG1-CG1 3.87Å; S981-V986 PolarHBondContact OG-N 2.93Å; R984-V986 PolarHBondContact O-N 3.1Å; V986-A988 VanDerWaalsContact C-N 3.34Å; V986-A988 PolarHBondContact O-N 3.3Å; V986-K989 PolarHBondContact O-N 3.24Å; V986-L990 WeakPolarHBondContact O-CB 3.43Å; V986-L990 PolarHBondContact O-N 3.37Å |
| 987 | T | 82.5 | Confident | 76.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 174.9 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | F976 D979 R984 L990 L991 V1015 V1025 | F976-T987 HydrophobicContact CD1-CG2 3.79Å; F976-T987 HydrophobicContact CE1-CG2 3.89Å; D979-T987 WeakPolarHBondContact CB-OG1 3.25Å; D979-T987 PolarHBondContact OD2-N 3.17Å; D979-T987 PolarHBondContact OD2-OG1 3.24Å; R984-T987 WeakPolarHBondContact O-CB 3.49Å; R984-T987 PolarHBondContact O-N 3.22Å; R984-T987 VanDerWaalsContact O-N 3.15Å; T987-L990 PolarHBondContact O-N 3.42Å; T987-L991 HydrophobicContact CG2-CD1 4.26Å; T987-L991 VanDerWaalsContact O-CG 3.28Å; T987-L991 WeakPolarHBondContact O-CG 3.35Å; T987-L991 PolarHBondContact O-N 3.39Å; T987-V1015 HydrophobicContact CG2-CG1 4.36Å; T987-V1025 HydrophobicContact CG2-CG1 3.91Å |
| 988 | A | 82 | Confident | 76.8 | Confident | 25 Ų | 25 | 42 Ų | 42 | 21% | 0.207 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.1 | -49.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R984 A985 V986 L991 D992 V1025 | R984-A988 PolarHBondContact O-N 3.16Å; A985-A988 WeakPolarHBondContact O-CB 3.35Å; A985-A988 PolarHBondContact O-N 3.45Å; V986-A988 VanDerWaalsContact C-N 3.34Å; V986-A988 PolarHBondContact O-N 3.3Å; A988-L991 WeakPolarHBondContact O-CB 3.35Å; A988-L991 PolarHBondContact O-N 2.98Å; A988-D992 PolarHBondContact O-N 3.39Å; A988-D992 VanDerWaalsContact O-N 3.12Å; A988-V1025 HydrophobicContact CB-CG2 4.02Å |
| 989 | K | 79.8 | Confident | 76.7 | Confident | 63 Ų | 63 | 39.2 Ų | 39.2 | 27% | 0.274 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70 | -33.8 | -178.9 | -167.8 | 62.8 | -175.3 | 157.1 | 0 | 112.3 | L944 I947 E951 A985 V986 L991 D992 A993 | L944-K989 HydrophobicContact CD2-CB 4.21Å; I947-K989 HydrophobicContact CG2-CG 4.05Å; E951-K989 WeakPolarHBondContact OE2-CE 3.49Å; E951-K989 IonicContact OE2-NZ 3.6Å; E951-K989 PolarHBondContact OE2-NZ 3.09Å; A985-K989 PolarHBondContact O-N 2.85Å; V986-K989 PolarHBondContact O-N 3.24Å; K989-L991 VanDerWaalsContact C-N 3.34Å; K989-D992 PolarHBondContact O-N 2.99Å; K989-A993 PolarHBondContact O-N 3.42Å |
| 990 | L | 84.9 | Confident | 76.5 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 171.7 | -178 | 61.7 | 0 | 0 | 0 | 111.4 | I947 M972 V975 F976 V986 T987 D992 A993 L994 | I947-L990 HydrophobicContact CD1-CB 4.11Å; I947-L990 HydrophobicContact CG1-CD1 4.44Å; M972-L990 HydrophobicContact CB-CD2 4.48Å; M972-L990 HydrophobicContact CG-CD1 4.26Å; V975-L990 HydrophobicContact CB-CD2 3.9Å; V975-L990 HydrophobicContact CG1-CD2 3.88Å; V975-L990 HydrophobicContact CG2-CD2 4.43Å; F976-L990 HydrophobicContact CE1-CD2 4.13Å; F976-L990 HydrophobicContact CE2-CD2 3.88Å; F976-L990 HydrophobicContact CZ-CD2 3.65Å; F976-L990 HydrophobicContact CZ-CG 4.08Å; V986-L990 WeakPolarHBondContact O-CB 3.43Å; V986-L990 PolarHBondContact O-N 3.37Å; T987-L990 PolarHBondContact O-N 3.42Å; L990-D992 VanDerWaalsContact C-N 3.32Å; L990-D992 PolarHBondContact O-N 2.98Å; L990-A993 PolarHBondContact O-N 3.26Å; L990-L994 VanDerWaalsContact O-CG 3.32Å; L990-L994 WeakPolarHBondContact O-CG 3.34Å; L990-L994 PolarHBondContact O-N 3.32Å |
| 991 | L | 84.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 175.4 | -71.3 | 167.2 | 0 | 0 | 0 | 111.7 | F976 T987 A988 K989 L994 K995 V1012 V1025 A1029 T1032 | F976-L991 HydrophobicContact CE1-CD2 3.94Å; F976-L991 HydrophobicContact CE1-CG 4.22Å; F976-L991 HydrophobicContact CZ-CD2 4.23Å; T987-L991 HydrophobicContact CG2-CD1 4.26Å; T987-L991 VanDerWaalsContact O-CG 3.28Å; T987-L991 WeakPolarHBondContact O-CG 3.35Å; T987-L991 PolarHBondContact O-N 3.39Å; A988-L991 WeakPolarHBondContact O-CB 3.35Å; A988-L991 PolarHBondContact O-N 2.98Å; K989-L991 VanDerWaalsContact C-N 3.34Å; L991-L994 HydrophobicContact CD2-CD1 4.41Å; L991-L994 WeakPolarHBondContact O-CB 3.26Å; L991-L994 PolarHBondContact O-N 3.09Å; L991-K995 WeakPolarHBondContact O-CG 3.24Å; L991-K995 PolarHBondContact O-N 2.95Å; L991-K995 VanDerWaalsContact O-N 3.11Å; L991-V1012 HydrophobicContact CD2-CG1 3.91Å; L991-V1012 HydrophobicContact CD2-CG2 4.08Å; L991-V1025 HydrophobicContact CD1-CG1 3.96Å; L991-A1029 HydrophobicContact CD1-CB 3.94Å; L991-A1029 HydrophobicContact CD2-CB 4.38Å; L991-T1032 HydrophobicContact CD2-CG2 4.43Å |
| 992 | D | 80.1 | Confident | 76.8 | Confident | 57 Ų | 57 | 35.2 Ų | 35.2 | 31% | 0.305 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.1 | -42 | 174.9 | -65.5 | -30.1 | 0 | 0 | 0 | 111.9 | A988 K989 L990 L994 K995 V996 S1028 | A988-D992 PolarHBondContact O-N 3.39Å; A988-D992 VanDerWaalsContact O-N 3.12Å; K989-D992 PolarHBondContact O-N 2.99Å; L990-D992 VanDerWaalsContact C-N 3.32Å; L990-D992 PolarHBondContact O-N 2.98Å; D992-L994 VanDerWaalsContact C-N 3.28Å; D992-L994 PolarHBondContact O-N 3.28Å; D992-K995 WeakPolarHBondContact O-CB 3.31Å; D992-K995 PolarHBondContact O-N 2.82Å; D992-K995 VanDerWaalsContact O-N 3.14Å; D992-K995 IonicContact OD1-NZ 3.91Å; D992-K995 PolarHBondContact OD1-NZ 2.99Å; D992-V996 PolarHBondContact O-N 3.28Å; D992-S1028 PolarHBondContact OD1-OG 3.36Å |
| 993 | A | 78.7 | Confident | 77.3 | Confident | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.033 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -35.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I947 E951 K989 L990 K995 V996 T997 | I947-A993 HydrophobicContact CG2-CB 3.83Å; E951-A993 HydrophobicContact CB-CB 4.24Å; K989-A993 PolarHBondContact O-N 3.42Å; L990-A993 PolarHBondContact O-N 3.26Å; A993-K995 VanDerWaalsContact C-N 3.33Å; A993-K995 PolarHBondContact O-N 2.89Å; A993-V996 PolarHBondContact O-N 3.42Å; A993-T997 WeakPolarHBondContact O-CB 3.29Å; A993-T997 VanDerWaalsContact O-CG2 3.28Å; A993-T997 WeakPolarHBondContact O-CG2 3.21Å; A993-T997 PolarHBondContact O-N 3.29Å; A993-T997 PolarHBondContact O-OG1 3.37Å |
| 994 | L | 82.3 | Confident | 77.8 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64 | -35.1 | 174.4 | -72.4 | 179.2 | 0 | 0 | 0 | 112.6 | M972 F976 L990 L991 D992 V996 T997 S998 L1001 L1008 V1012 T1032 F1036 | M972-L994 HydrophobicContact SD-CD2 4.48Å; F976-L994 HydrophobicContact CE2-CD1 4.23Å; F976-L994 HydrophobicContact CZ-CD1 3.69Å; L990-L994 VanDerWaalsContact O-CG 3.32Å; L990-L994 WeakPolarHBondContact O-CG 3.34Å; L990-L994 PolarHBondContact O-N 3.32Å; L991-L994 HydrophobicContact CD2-CD1 4.41Å; L991-L994 WeakPolarHBondContact O-CB 3.26Å; L991-L994 PolarHBondContact O-N 3.09Å; D992-L994 VanDerWaalsContact C-N 3.28Å; D992-L994 PolarHBondContact O-N 3.28Å; L994-V996 PolarHBondContact O-N 2.8Å; L994-T997 WeakPolarHBondContact CA-OG1 3.02Å; L994-T997 PolarHBondContact O-N 3.08Å; L994-T997 PolarHBondContact O-OG1 3.28Å; L994-S998 PolarHBondContact O-N 2.99Å; L994-L1001 HydrophobicContact CD2-CD1 3.36Å; L994-L1008 HydrophobicContact CD2-CD1 4.25Å; L994-V1012 HydrophobicContact CD1-CG2 4.38Å; L994-T1032 HydrophobicContact CB-CG2 3.94Å; L994-F1036 HydrophobicContact CB-CE1 4.43Å; L994-F1036 HydrophobicContact CB-CZ 4.14Å |
| 995 | K | 78.9 | Confident | 78 | Confident | 26 Ų | 26 | 27.4 Ų | 27.4 | 11% | 0.113 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 175.5 | -65.5 | 168.8 | -166.5 | 164.6 | 0 | 111.2 | L991 D992 A993 S998 S1028 E1031 T1032 V1035 | L991-K995 WeakPolarHBondContact O-CG 3.24Å; L991-K995 PolarHBondContact O-N 2.95Å; L991-K995 VanDerWaalsContact O-N 3.11Å; D992-K995 WeakPolarHBondContact O-CB 3.31Å; D992-K995 PolarHBondContact O-N 2.82Å; D992-K995 VanDerWaalsContact O-N 3.14Å; D992-K995 IonicContact OD1-NZ 3.91Å; D992-K995 PolarHBondContact OD1-NZ 2.99Å; A993-K995 VanDerWaalsContact C-N 3.33Å; A993-K995 PolarHBondContact O-N 2.89Å; K995-S998 PolarHBondContact O-OG 3.34Å; K995-S998 VanDerWaalsContact O-OG 3.04Å; K995-S1028 PolarHBondContact NZ-OG 2.93Å; K995-E1031 IonicContact NZ-OE2 3.86Å; K995-T1032 WeakPolarHBondContact CE-OG1 3.1Å; K995-T1032 HydrophobicContact CG-CG2 4.07Å; K995-V1035 HydrophobicContact CB-CG1 4.32Å; K995-V1035 HydrophobicContact CB-CG2 4.5Å; K995-V1035 HydrophobicContact CG-CB 4.47Å; K995-V1035 HydrophobicContact CG-CG2 4.25Å |
| 996 | V | 72.8 | Confident | 78.3 | Confident | 28 Ų | 28 | 30.5 Ų | 30.5 | 17% | 0.17 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.6 | -36.7 | 179.4 | -176.5 | 0 | 0 | 0 | 0 | 112 | E951 D992 A993 L994 S998 L1135 | E951-V996 HydrophobicContact CG-CB 4.36Å; E951-V996 HydrophobicContact CG-CG1 4.48Å; E951-V996 HydrophobicContact CG-CG2 4.13Å; D992-V996 PolarHBondContact O-N 3.28Å; A993-V996 PolarHBondContact O-N 3.42Å; L994-V996 PolarHBondContact O-N 2.8Å; V996-S998 VanDerWaalsContact C-N 3.35Å; V996-S998 PolarHBondContact O-N 3.48Å; V996-L1135 HydrophobicContact CG2-CD2 3.86Å |
| 997 | T | 71.5 | Confident | 78.4 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.043 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 1.8 | -176 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | A954 A993 L994 C999 A1000 L1001 | A954-T997 HydrophobicContact CB-CG2 3.17Å; A993-T997 WeakPolarHBondContact O-CB 3.29Å; A993-T997 VanDerWaalsContact O-CG2 3.28Å; A993-T997 WeakPolarHBondContact O-CG2 3.21Å; A993-T997 PolarHBondContact O-N 3.29Å; A993-T997 PolarHBondContact O-OG1 3.37Å; L994-T997 WeakPolarHBondContact CA-OG1 3.02Å; L994-T997 PolarHBondContact O-N 3.08Å; L994-T997 PolarHBondContact O-OG1 3.28Å; T997-C999 VanDerWaalsContact C-N 3.31Å; T997-C999 PolarHBondContact O-N 2.9Å; T997-C999 VanDerWaalsContact O-N 3.11Å; T997-A1000 PolarHBondContact O-N 3.44Å; T997-L1001 PolarHBondContact O-N 3.19Å; T997-L1001 WeakPolarHBondContact OG1-CD1 3.32Å |
| 998 | S | 72.1 | Confident | 78.5 | Confident | 18 Ų | 18 | 33.2 Ų | 33.2 | 13% | 0.126 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -48 | -43.8 | -170.8 | 51.3 | 0 | 0 | 0 | 0 | 114.8 | L994 K995 V996 A1000 L1001 F1005 | L994-S998 PolarHBondContact O-N 2.99Å; K995-S998 PolarHBondContact O-OG 3.34Å; K995-S998 VanDerWaalsContact O-OG 3.04Å; V996-S998 VanDerWaalsContact C-N 3.35Å; V996-S998 PolarHBondContact O-N 3.48Å; S998-A1000 VanDerWaalsContact C-N 3.3Å; S998-A1000 PolarHBondContact O-N 3.03Å; S998-L1001 PolarHBondContact O-N 3.4Å; S998-F1005 WeakPolarHBondContact O-CZ 3.43Å |
| 999 | C | 70.8 | Confident | 78.7 | Confident | 71 Ų | 71 | 32.1 Ų | 32.1 | 48% | 0.48 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -67.9 | -22.7 | 179.4 | 64.4 | 0 | 0 | 0 | 0 | 115 | K962 T997 | K962-C999 WeakPolarHBondContact CE-O 3.29Å; T997-C999 VanDerWaalsContact C-N 3.31Å; T997-C999 PolarHBondContact O-N 2.9Å; T997-C999 VanDerWaalsContact O-N 3.11Å |
| 1000 | A | 69.8 | Low | 78.9 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -92.1 | -14.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F961 K962 T997 S998 | F961-A1000 HydrophobicContact CB-CB 4.28Å; F961-A1000 HydrophobicContact CD1-CB 3.98Å; K962-A1000 HydrophobicContact CG-CB 4.21Å; T997-A1000 PolarHBondContact O-N 3.44Å; S998-A1000 VanDerWaalsContact C-N 3.3Å; S998-A1000 PolarHBondContact O-N 3.03Å |
| 1001 | L | 74.5 | Confident | 78.9 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -102.7 | 1.7 | -173.9 | -69.1 | 168.9 | 0 | 0 | 0 | 114.4 | V965 L994 T997 S998 D1003 H1004 F1005 L1008 | V965-L1001 HydrophobicContact CB-CD2 4.46Å; V965-L1001 HydrophobicContact CG1-CD2 3.4Å; V965-L1001 HydrophobicContact CG2-CD2 4.17Å; L994-L1001 HydrophobicContact CD2-CD1 3.36Å; T997-L1001 PolarHBondContact O-N 3.19Å; T997-L1001 WeakPolarHBondContact OG1-CD1 3.32Å; S998-L1001 PolarHBondContact O-N 3.4Å; L1001-D1003 VanDerWaalsContact C-N 3.28Å; L1001-D1003 PolarHBondContact O-N 2.93Å; L1001-H1004 CarbonylContact O-C 3.57Å; L1001-H1004 PolarHBondContact O-N 3.36Å; L1001-F1005 HydrophobicContact CB-CD1 4.23Å; L1001-F1005 HydrophobicContact CB-CE1 3.74Å; L1001-F1005 WeakPolarHBondContact O-CD1 3.28Å; L1001-F1005 WeakPolarHBondContact O-CE1 3.32Å; L1001-F1005 PolarHBondContact O-N 3.47Å; L1001-L1008 HydrophobicContact CB-CD1 4.2Å; L1001-L1008 HydrophobicContact CD1-CD1 4.05Å; L1001-L1008 HydrophobicContact CD2-CD1 4.02Å; L1001-L1008 HydrophobicContact CG-CD1 4.35Å |
| 1002 | E | 74.2 | Confident | 79 | Confident | 86 Ų | 86 | 32.2 Ų | 32.2 | 40% | 0.402 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -51.6 | -44.4 | -173.4 | -169.7 | 178.2 | -173 | 0 | 0 | 112.9 | H1004 F1005 S1040 | E1002-H1004 PolarHBondContact O-N 2.85Å; E1002-F1005 HydrophobicContact CB-CE2 4.42Å; E1002-F1005 HydrophobicContact CG-CE2 4.36Å; E1002-F1005 PolarHBondContact O-N 3.19Å; E1002-S1040 WeakPolarHBondContact OE1-CB 3.39Å |
| 1003 | D | 77 | Confident | 79.3 | Confident | 102 Ų | 102 | 29.7 Ų | 29.7 | 55% | 0.545 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -65.9 | -22.9 | -179.3 | -59.2 | -40.8 | 0 | 0 | 0 | 112.7 | L1001 H1006 | L1001-D1003 VanDerWaalsContact C-N 3.28Å; L1001-D1003 PolarHBondContact O-N 2.93Å; D1003-H1006 PolarHBondContact O-CE1 3.41Å; D1003-H1006 VanDerWaalsContact O-CE1 3.26Å; D1003-H1006 PolarHBondContact O-ND1 3.13Å |
| 1004 | H | 80.7 | Confident | 79.5 | Confident | 22 Ų | 22 | 34.6 Ų | 34.6 | 10% | 0.102 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -105.7 | 4.7 | -175 | -51.1 | 88.6 | 0 | 0 | 0 | 113.5 | T966 M969 L1001 E1002 H1006 M1007 L1008 | T966-H1004 PolarHBondContact OG1-NE2 2.97Å; M969-H1004 HydrophobicContact CG-CB 4.46Å; M969-H1004 HydrophobicContact SD-CB 4.12Å; L1001-H1004 CarbonylContact O-C 3.57Å; L1001-H1004 PolarHBondContact O-N 3.36Å; E1002-H1004 PolarHBondContact O-N 2.85Å; H1004-H1006 PolarHBondContact O-N 3.24Å; H1004-H1006 VanDerWaalsContact O-N 3.14Å; H1004-M1007 HydrophobicContact CB-CE 4.06Å; H1004-M1007 PolarHBondContact O-N 3.34Å; H1004-L1008 PolarHBondContact O-N 3.24Å |
| 1005 | F | 83.5 | Confident | 79.6 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.1 | -31.4 | 179 | -78.2 | -4.4 | 0 | 0 | 0 | 113.6 | S998 L1001 E1002 M1007 L1008 I1009 F1036 S1040 F1045 | S998-F1005 WeakPolarHBondContact O-CZ 3.43Å; L1001-F1005 HydrophobicContact CB-CD1 4.23Å; L1001-F1005 HydrophobicContact CB-CE1 3.74Å; L1001-F1005 WeakPolarHBondContact O-CD1 3.28Å; L1001-F1005 WeakPolarHBondContact O-CE1 3.32Å; L1001-F1005 PolarHBondContact O-N 3.47Å; E1002-F1005 HydrophobicContact CB-CE2 4.42Å; E1002-F1005 HydrophobicContact CG-CE2 4.36Å; E1002-F1005 PolarHBondContact O-N 3.19Å; F1005-M1007 PolarHBondContact O-N 3.36Å; F1005-L1008 PolarHBondContact O-N 3.2Å; F1005-I1009 HydrophobicContact CB-CD1 3.81Å; F1005-I1009 HydrophobicContact CB-CG1 4.26Å; F1005-I1009 HydrophobicContact CD2-CD1 4.5Å; F1005-I1009 HydrophobicContact CG-CD1 4.26Å; F1005-I1009 WeakPolarHBondContact O-CB 3.05Å; F1005-I1009 WeakPolarHBondContact O-CG1 3.36Å; F1005-I1009 PolarHBondContact O-N 3.29Å; F1005-F1036 HydrophobicContact CD1-CD2 4.37Å; F1005-F1036 HydrophobicContact CD1-CE2 4.39Å; F1005-F1036 AromaticContact CE1-CD1 3.93Å; F1005-F1036 HydrophobicContact CE1-CD1 3.93Å; F1005-F1036 HydrophobicContact CE1-CD2 4.11Å; F1005-F1036 HydrophobicContact CE1-CE1 4.01Å; F1005-F1036 HydrophobicContact CE1-CE2 4.2Å; F1005-F1036 AromaticContact CE1-CG 3.98Å; F1005-F1036 HydrophobicContact CE1-CG 3.98Å; F1005-F1036 HydrophobicContact CE1-CZ 4.14Å; F1005-F1036 HydrophobicContact CE2-CB 4.11Å; F1005-F1036 HydrophobicContact CE2-CG 4.35Å; F1005-F1036 HydrophobicContact CZ-CB 4.02Å; F1005-F1036 AromaticContact CZ-CD1 3.83Å; F1005-F1036 HydrophobicContact CZ-CD1 3.83Å; F1005-F1036 HydrophobicContact CZ-CD2 4.36Å; F1005-F1036 HydrophobicContact CZ-CE1 4.35Å; F1005-F1036 AromaticContact CZ-CG 3.83Å; F1005-F1036 HydrophobicContact CZ-CG 3.83Å; F1005-S1040 VanDerWaalsContact CE2-OG 3.27Å; F1005-S1040 WeakPolarHBondContact CE2-OG 3.48Å; F1005-F1045 HydrophobicContact CB-CE2 4.4Å |
| 1006 | H | 83.5 | Confident | 79.7 | Confident | 112 Ų | 112 | 33.5 Ų | 33.5 | 52% | 0.519 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.3 | -23.5 | 175.8 | 68.8 | -83.9 | 0 | 0 | 0 | 114 | D1003 H1004 P1010 F1045 | D1003-H1006 PolarHBondContact O-CE1 3.41Å; D1003-H1006 VanDerWaalsContact O-CE1 3.26Å; D1003-H1006 PolarHBondContact O-ND1 3.13Å; H1004-H1006 PolarHBondContact O-N 3.24Å; H1004-H1006 VanDerWaalsContact O-N 3.14Å; H1006-P1010 WeakPolarHBondContact O-CD 3.31Å; H1006-P1010 WeakPolarHBondContact O-CG 3.21Å; H1006-F1045 HydrophobicContact CB-CE1 4.22Å; H1006-F1045 HydrophobicContact CB-CZ 3.93Å |
| 1007 | M | 83.1 | Confident | 80.2 | Confident | 67 Ų | 67 | 36.8 Ų | 36.8 | 33% | 0.33 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -94.2 | -37.7 | 173.9 | -65.9 | -172.2 | -79.5 | 0 | 0 | 112.9 | M969 L973 H1004 F1005 S1011 | M969-M1007 HydrophobicContact CE-CB 3.97Å; M969-M1007 HydrophobicContact CE-CE 4.09Å; M969-M1007 HydrophobicContact CE-SD 4.49Å; M969-M1007 HydrophobicContact CG-CE 4.37Å; L973-M1007 HydrophobicContact CD1-CB 4.44Å; H1004-M1007 HydrophobicContact CB-CE 4.06Å; H1004-M1007 PolarHBondContact O-N 3.34Å; F1005-M1007 PolarHBondContact O-N 3.36Å; M1007-S1011 PolarHBondContact O-OG 2.96Å; M1007-S1011 VanDerWaalsContact O-OG 3.08Å |
| 1008 | L | 84.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -77.4 | -46.7 | -175.1 | -71.7 | 171.7 | 0 | 0 | 0 | 112.8 | M969 L973 F976 L994 L1001 H1004 F1005 S1011 V1012 | M969-L1008 HydrophobicContact CE-CD1 4.4Å; M969-L1008 HydrophobicContact CE-CD2 3.63Å; M969-L1008 HydrophobicContact CE-CG 3.71Å; M969-L1008 HydrophobicContact SD-CD1 4.09Å; M969-L1008 HydrophobicContact SD-CD2 4.03Å; M969-L1008 HydrophobicContact SD-CG 4.05Å; L973-L1008 HydrophobicContact CD2-CD2 4.22Å; F976-L1008 HydrophobicContact CE2-CD2 4.45Å; L994-L1008 HydrophobicContact CD2-CD1 4.25Å; L1001-L1008 HydrophobicContact CB-CD1 4.2Å; L1001-L1008 HydrophobicContact CD1-CD1 4.05Å; L1001-L1008 HydrophobicContact CD2-CD1 4.02Å; L1001-L1008 HydrophobicContact CG-CD1 4.35Å; H1004-L1008 PolarHBondContact O-N 3.24Å; F1005-L1008 PolarHBondContact O-N 3.2Å; L1008-S1011 WeakPolarHBondContact O-CB 3.27Å; L1008-S1011 PolarHBondContact O-N 2.88Å; L1008-V1012 WeakPolarHBondContact O-CG2 3.46Å; L1008-V1012 PolarHBondContact O-N 2.79Å |
| 1009 | I | 85.6 | Confident | 80.9 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.3 | -47.5 | -174.9 | -68.5 | 173.3 | 0 | 0 | 0 | 111.8 | F1005 S1011 V1012 L1013 F1036 L1042 F1045 I1049 | F1005-I1009 HydrophobicContact CB-CD1 3.81Å; F1005-I1009 HydrophobicContact CB-CG1 4.26Å; F1005-I1009 HydrophobicContact CD2-CD1 4.5Å; F1005-I1009 HydrophobicContact CG-CD1 4.26Å; F1005-I1009 WeakPolarHBondContact O-CB 3.05Å; F1005-I1009 WeakPolarHBondContact O-CG1 3.36Å; F1005-I1009 PolarHBondContact O-N 3.29Å; I1009-S1011 PolarHBondContact O-N 3.36Å; I1009-V1012 PolarHBondContact O-N 3.35Å; I1009-L1013 HydrophobicContact CG2-CD1 3.61Å; I1009-L1013 HydrophobicContact CG2-CG 4.09Å; I1009-L1013 VanDerWaalsContact O-CB 3.3Å; I1009-L1013 WeakPolarHBondContact O-CB 3.34Å; I1009-L1013 VanDerWaalsContact O-CG 3.22Å; I1009-L1013 WeakPolarHBondContact O-CG 3.43Å; I1009-L1013 PolarHBondContact O-N 3.42Å; I1009-F1036 HydrophobicContact CG1-CD2 4.16Å; I1009-L1042 HydrophobicContact CD1-CD2 3.75Å; I1009-F1045 HydrophobicContact CD1-CB 4.5Å; I1009-F1045 HydrophobicContact CD1-CD2 3.47Å; I1009-F1045 VanDerWaalsContact CD1-CD2 3.47Å; I1009-F1045 HydrophobicContact CD1-CE2 3.75Å; I1009-F1045 HydrophobicContact CD1-CG 3.94Å; I1009-F1045 HydrophobicContact CD1-CZ 4.43Å; I1009-F1045 HydrophobicContact CG2-CB 4.26Å; I1009-F1045 HydrophobicContact CG2-CG 4.31Å; I1009-I1049 HydrophobicContact CG2-CG1 4.4Å |
| 1010 | P | 84.9 | Confident | 81 | Confident | 35 Ų | 35 | 49.2 Ų | 49.2 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.5 | -35.5 | 176.8 | -24.5 | 35 | 0 | 0 | 0 | 113.4 | H1006 K1014 | H1006-P1010 WeakPolarHBondContact O-CD 3.31Å; H1006-P1010 WeakPolarHBondContact O-CG 3.21Å; P1010-K1014 WeakPolarHBondContact O-CB 3.21Å; P1010-K1014 PolarHBondContact O-N 3.06Å; P1010-K1014 VanDerWaalsContact O-N 3.09Å |
| 1011 | S | 84.5 | Confident | 81.4 | Confident | 32 Ų | 32 | 49.4 Ų | 49.4 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.3 | -44.1 | -178.8 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | L973 M1007 L1008 I1009 K1014 V1015 | L973-S1011 WeakPolarHBondContact CD2-OG 3.38Å; M1007-S1011 PolarHBondContact O-OG 2.96Å; M1007-S1011 VanDerWaalsContact O-OG 3.08Å; L1008-S1011 WeakPolarHBondContact O-CB 3.27Å; L1008-S1011 PolarHBondContact O-N 2.88Å; I1009-S1011 PolarHBondContact O-N 3.36Å; S1011-K1014 WeakPolarHBondContact O-CB 3.43Å; S1011-K1014 PolarHBondContact O-N 3.42Å; S1011-V1015 PolarHBondContact O-N 3.14Å |
| 1012 | V | 85.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 175.7 | 177.6 | 0 | 0 | 0 | 0 | 111 | F976 L991 L994 L1008 I1009 K1014 V1015 A1016 A1029 I1033 | F976-V1012 HydrophobicContact CZ-CG2 4.22Å; L991-V1012 HydrophobicContact CD2-CG1 3.91Å; L991-V1012 HydrophobicContact CD2-CG2 4.08Å; L994-V1012 HydrophobicContact CD1-CG2 4.38Å; L1008-V1012 WeakPolarHBondContact O-CG2 3.46Å; L1008-V1012 PolarHBondContact O-N 2.79Å; I1009-V1012 PolarHBondContact O-N 3.35Å; V1012-K1014 VanDerWaalsContact C-N 3.31Å; V1012-K1014 PolarHBondContact O-N 3.43Å; V1012-V1015 WeakPolarHBondContact O-CB 3.3Å; V1012-V1015 PolarHBondContact O-N 2.85Å; V1012-V1015 VanDerWaalsContact O-N 3.13Å; V1012-A1016 PolarHBondContact O-N 3.27Å; V1012-A1016 VanDerWaalsContact O-N 3.11Å; V1012-A1029 HydrophobicContact CG1-CB 3.87Å; V1012-I1033 HydrophobicContact CG1-CD1 4.05Å; V1012-I1033 HydrophobicContact CG1-CG1 3.96Å |
| 1013 | L | 85.9 | Confident | 82.1 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 174.9 | -74.5 | 173.5 | 0 | 0 | 0 | 111.9 | I1009 V1015 A1016 E1017 I1033 R1048 I1049 T1052 | I1009-L1013 HydrophobicContact CG2-CD1 3.61Å; I1009-L1013 HydrophobicContact CG2-CG 4.09Å; I1009-L1013 VanDerWaalsContact O-CB 3.3Å; I1009-L1013 WeakPolarHBondContact O-CB 3.34Å; I1009-L1013 VanDerWaalsContact O-CG 3.22Å; I1009-L1013 WeakPolarHBondContact O-CG 3.43Å; I1009-L1013 PolarHBondContact O-N 3.42Å; L1013-V1015 VanDerWaalsContact C-N 3.27Å; L1013-V1015 PolarHBondContact O-N 3.08Å; L1013-A1016 WeakPolarHBondContact O-CB 3.38Å; L1013-A1016 PolarHBondContact O-N 3.28Å; L1013-A1016 VanDerWaalsContact O-N 3.08Å; L1013-E1017 PolarHBondContact O-N 2.65Å; L1013-I1033 HydrophobicContact CD2-CD1 3.25Å; L1013-I1033 HydrophobicContact CG-CD1 3.67Å; L1013-R1048 HydrophobicContact CD1-CB 4.24Å; L1013-R1048 HydrophobicContact CD1-CG 3.92Å; L1013-I1049 HydrophobicContact CD1-CG1 3.94Å; L1013-I1049 HydrophobicContact CD2-CB 4.49Å; L1013-I1049 HydrophobicContact CD2-CG1 4.25Å; L1013-T1052 HydrophobicContact CB-CG2 4.14Å; L1013-T1052 HydrophobicContact CD2-CG2 3.8Å; L1013-T1052 WeakPolarHBondContact O-CG2 3.48Å |
| 1014 | K | 84.2 | Confident | 82.3 | Confident | 107 Ų | 107 | 53 Ų | 53 | 47% | 0.465 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.1 | -36.1 | 176 | -167.8 | 176.4 | -175.9 | 180 | 0 | 112.1 | P1010 S1011 V1012 E1017 Q1018 | P1010-K1014 WeakPolarHBondContact O-CB 3.21Å; P1010-K1014 PolarHBondContact O-N 3.06Å; P1010-K1014 VanDerWaalsContact O-N 3.09Å; S1011-K1014 WeakPolarHBondContact O-CB 3.43Å; S1011-K1014 PolarHBondContact O-N 3.42Å; V1012-K1014 VanDerWaalsContact C-N 3.31Å; V1012-K1014 PolarHBondContact O-N 3.43Å; K1014-E1017 PolarHBondContact O-N 3.39Å; K1014-Q1018 VanDerWaalsContact O-CG 3.27Å; K1014-Q1018 WeakPolarHBondContact O-CG 3.32Å; K1014-Q1018 PolarHBondContact O-N 3.23Å; K1014-Q1018 VanDerWaalsContact O-N 3.16Å |
| 1015 | V | 83.6 | Confident | 82.5 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67 | -39.2 | 173.7 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | F976 T987 S1011 V1012 L1013 E1017 V1021 V1025 | F976-V1015 HydrophobicContact CB-CG2 4.4Å; F976-V1015 HydrophobicContact CD1-CG2 3.9Å; T987-V1015 HydrophobicContact CG2-CG1 4.36Å; S1011-V1015 PolarHBondContact O-N 3.14Å; V1012-V1015 WeakPolarHBondContact O-CB 3.3Å; V1012-V1015 PolarHBondContact O-N 2.85Å; V1012-V1015 VanDerWaalsContact O-N 3.13Å; L1013-V1015 VanDerWaalsContact C-N 3.27Å; L1013-V1015 PolarHBondContact O-N 3.08Å; V1015-E1017 VanDerWaalsContact C-N 3.34Å; V1015-V1021 HydrophobicContact CG1-CG1 4.03Å; V1015-V1025 HydrophobicContact CG1-CG1 4.15Å |
| 1016 | A | 82.3 | Confident | 82.6 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.9 | -33.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1012 L1013 R1026 A1029 I1030 T1052 | V1012-A1016 PolarHBondContact O-N 3.27Å; V1012-A1016 VanDerWaalsContact O-N 3.11Å; L1013-A1016 WeakPolarHBondContact O-CB 3.38Å; L1013-A1016 PolarHBondContact O-N 3.28Å; L1013-A1016 VanDerWaalsContact O-N 3.08Å; A1016-R1026 VanDerWaalsContact O-CZ 3.32Å; A1016-R1026 PolarHBondContact O-NE 2.87Å; A1016-R1026 PolarHBondContact O-NH2 3.27Å; A1016-A1029 HydrophobicContact CB-CB 4.27Å; A1016-I1030 HydrophobicContact CB-CG1 4.14Å; A1016-T1052 HydrophobicContact CB-CG2 4.31Å |
| 1017 | E | 82.7 | Confident | 82.7 | Confident | 97 Ų | 97 | 52.7 Ų | 52.7 | 45% | 0.453 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -75.2 | -36.8 | 179.9 | -163.8 | -177.2 | 174.1 | 0 | 0 | 113.3 | L1013 K1014 V1015 R1019 T1052 V1055 | L1013-E1017 PolarHBondContact O-N 2.65Å; K1014-E1017 PolarHBondContact O-N 3.39Å; V1015-E1017 VanDerWaalsContact C-N 3.34Å; E1017-R1019 PolarHBondContact O-N 3.36Å; E1017-T1052 HydrophobicContact CB-CG2 4.19Å; E1017-V1055 HydrophobicContact CG-CG1 3.97Å |
| 1018 | Q | 82.2 | Confident | 82.7 | Confident | 68 Ų | 68 | 50.1 Ų | 50.1 | 32% | 0.318 | 26% | 0.26 | S | S | . | . | trans | -65.6 | 114.1 | -174.3 | -78.8 | 174.9 | 4.2 | 0 | 0 | 112.7 | K1014 G1020 V1021 | K1014-Q1018 VanDerWaalsContact O-CG 3.27Å; K1014-Q1018 WeakPolarHBondContact O-CG 3.32Å; K1014-Q1018 PolarHBondContact O-N 3.23Å; K1014-Q1018 VanDerWaalsContact O-N 3.16Å; Q1018-G1020 PolarHBondContact O-N 2.87Å; Q1018-V1021 HydrophobicContact CB-CG2 3.74Å; Q1018-V1021 PolarHBondContact O-N 3.43Å | ||
| 1019 | R | 76.3 | Confident | 82.8 | Confident | 208 Ų | 208 | 50.1 Ų | 50.1 | 79% | 0.785 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23 | 177.7 | -64.6 | -176.5 | -177.5 | -176.8 | -0.8 | 114.3 | E1017 V1021 | E1017-R1019 PolarHBondContact O-N 3.36Å; R1019-V1021 VanDerWaalsContact C-N 3.29Å; R1019-V1021 PolarHBondContact O-N 2.87Å |
| 1020 | G | 73.1 | Confident | 82.8 | Confident | 81 Ų | 81 | 50.2 Ų | 50.2 | 84% | 0.835 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -1.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q1018 | Q1018-G1020 PolarHBondContact O-N 2.87Š|
| 1021 | V | 78.7 | Confident | 82.8 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -93.9 | 138.6 | -179.6 | 179.7 | 0 | 0 | 0 | 0 | 110.2 | V1015 Q1018 R1019 V1025 R1026 | V1015-V1021 HydrophobicContact CG1-CG1 4.03Å; Q1018-V1021 HydrophobicContact CB-CG2 3.74Å; Q1018-V1021 PolarHBondContact O-N 3.43Å; R1019-V1021 VanDerWaalsContact C-N 3.29Å; R1019-V1021 PolarHBondContact O-N 2.87Å; V1021-V1025 HydrophobicContact CG1-CB 3.81Å; V1021-V1025 HydrophobicContact CG1-CG1 3.97Å; V1021-R1026 HydrophobicContact CB-CG 3.88Å; V1021-R1026 HydrophobicContact CG1-CG 3.87Å; V1021-R1026 VanDerWaalsContact O-CD 3.3Å; V1021-R1026 WeakPolarHBondContact O-CD 3.17Å |
| 1022 | P | 82.9 | Confident | 82.8 | Confident | 54 Ų | 54 | 49.4 Ų | 49.4 | 35% | 0.351 | 25% | 0.251 | S | S | . | . | trans | -55.9 | 143.1 | 177.4 | -26.3 | 35.7 | 0 | 0 | 0 | 113.1 | N1024 V1025 R1026 | P1022-N1024 VanDerWaalsContact C-N 3.27Å; P1022-N1024 PolarHBondContact O-N 2.76Å; P1022-V1025 HydrophobicContact CB-CG2 4.38Å; P1022-V1025 PolarHBondContact O-N 3.4Å; P1022-R1026 PolarHBondContact O-N 3.37Å; P1022-R1026 VanDerWaalsContact O-N 3.13Å | ||
| 1023 | L | 80.5 | Confident | 82.7 | Confident | 71 Ų | 71 | 49.5 Ų | 49.5 | 37% | 0.372 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.8 | -35.8 | -173.1 | -72 | 158.5 | 0 | 0 | 0 | 113 | V1025 R1026 R1027 E1062 | L1023-V1025 VanDerWaalsContact C-N 3.33Å; L1023-V1025 PolarHBondContact O-N 3.47Å; L1023-R1026 PolarHBondContact O-N 3.28Å; L1023-R1027 WeakPolarHBondContact O-CB 3.44Å; L1023-R1027 PolarHBondContact O-N 3.42Å; L1023-E1062 WeakPolarHBondContact CD1-OE2 3.14Å |
| 1024 | N | 81.1 | Confident | 82.5 | Confident | 139 Ų | 139 | 49.7 Ų | 49.7 | 74% | 0.743 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.8 | -41.1 | 176.6 | -65.4 | -15.3 | 0 | 0 | 0 | 112.2 | P1022 S1028 | P1022-N1024 VanDerWaalsContact C-N 3.27Å; P1022-N1024 PolarHBondContact O-N 2.76Å; N1024-S1028 WeakPolarHBondContact O-CB 3.39Å; N1024-S1028 PolarHBondContact O-N 2.85Å |
| 1025 | V | 83.1 | Confident | 82.3 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.2 | -39.9 | -179.9 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | R984 T987 A988 L991 V1015 V1021 P1022 L1023 R1027 S1028 A1029 | R984-V1025 HydrophobicContact CB-CG2 4.44Å; T987-V1025 HydrophobicContact CG2-CG1 3.91Å; A988-V1025 HydrophobicContact CB-CG2 4.02Å; L991-V1025 HydrophobicContact CD1-CG1 3.96Å; V1015-V1025 HydrophobicContact CG1-CG1 4.15Å; V1021-V1025 HydrophobicContact CG1-CB 3.81Å; V1021-V1025 HydrophobicContact CG1-CG1 3.97Å; P1022-V1025 HydrophobicContact CB-CG2 4.38Å; P1022-V1025 PolarHBondContact O-N 3.4Å; L1023-V1025 VanDerWaalsContact C-N 3.33Å; L1023-V1025 PolarHBondContact O-N 3.47Å; V1025-R1027 VanDerWaalsContact C-N 3.35Å; V1025-R1027 PolarHBondContact O-N 2.94Å; V1025-S1028 PolarHBondContact O-N 3.29Å; V1025-A1029 WeakPolarHBondContact O-CB 3.36Å; V1025-A1029 PolarHBondContact O-N 3.12Å |
| 1026 | R | 87 | Confident | 82.2 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 174.9 | -64.7 | -179.5 | 67.2 | -151.1 | -1.8 | 111.7 | A1016 V1021 P1022 L1023 A1029 I1030 S1059 L1063 | A1016-R1026 VanDerWaalsContact O-CZ 3.32Å; A1016-R1026 PolarHBondContact O-NE 2.87Å; A1016-R1026 PolarHBondContact O-NH2 3.27Å; V1021-R1026 HydrophobicContact CB-CG 3.88Å; V1021-R1026 HydrophobicContact CG1-CG 3.87Å; V1021-R1026 VanDerWaalsContact O-CD 3.3Å; V1021-R1026 WeakPolarHBondContact O-CD 3.17Å; P1022-R1026 PolarHBondContact O-N 3.37Å; P1022-R1026 VanDerWaalsContact O-N 3.13Å; L1023-R1026 PolarHBondContact O-N 3.28Å; R1026-A1029 WeakPolarHBondContact O-CB 3.44Å; R1026-A1029 PolarHBondContact O-N 3.29Å; R1026-I1030 WeakPolarHBondContact O-CG1 3.31Å; R1026-I1030 PolarHBondContact O-N 3.31Å; R1026-S1059 PolarHBondContact NH1-OG 3.41Å; R1026-S1059 PolarHBondContact NH2-OG 3.25Å; R1026-L1063 HydrophobicContact CB-CD1 4.19Å |
| 1027 | R | 85.3 | Confident | 81.7 | Confident | 119 Ų | 119 | 45.1 Ų | 45.1 | 45% | 0.449 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.3 | -49.6 | 173.6 | 179.3 | 177.9 | 175.3 | 159.1 | 1.3 | 111.3 | L1023 V1025 A1029 I1030 E1031 L1063 | L1023-R1027 WeakPolarHBondContact O-CB 3.44Å; L1023-R1027 PolarHBondContact O-N 3.42Å; V1025-R1027 VanDerWaalsContact C-N 3.35Å; V1025-R1027 PolarHBondContact O-N 2.94Å; R1027-A1029 PolarHBondContact O-N 3.35Å; R1027-I1030 PolarHBondContact O-N 2.74Å; R1027-I1030 VanDerWaalsContact O-N 3.13Å; R1027-E1031 HydrophobicContact CG-CG 4.47Å; R1027-E1031 IonicContact CZ-OE1 3.19Å; R1027-E1031 IonicContact NE-OE1 3.25Å; R1027-E1031 PolarHBondContact NE-OE1 2.79Å; R1027-E1031 IonicContact NH2-OE1 2.83Å; R1027-E1031 WeakPolarHBondContact O-CG 3.36Å; R1027-E1031 PolarHBondContact O-N 3.37Å; R1027-L1063 HydrophobicContact CB-CD2 3.78Å |
| 1028 | S | 83.4 | Confident | 81.3 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.2 | -35.7 | 178.4 | -168.7 | 0 | 0 | 0 | 0 | 111.9 | D992 K995 N1024 V1025 E1031 T1032 | D992-S1028 PolarHBondContact OD1-OG 3.36Å; K995-S1028 PolarHBondContact NZ-OG 2.93Å; N1024-S1028 WeakPolarHBondContact O-CB 3.39Å; N1024-S1028 PolarHBondContact O-N 2.85Å; V1025-S1028 PolarHBondContact O-N 3.29Å; S1028-E1031 PolarHBondContact O-N 3.3Å; S1028-T1032 WeakPolarHBondContact O-CB 3.49Å; S1028-T1032 PolarHBondContact O-N 3.37Å; S1028-T1032 PolarHBondContact O-OG1 2.91Å |
| 1029 | A | 86.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L991 V1012 A1016 V1025 R1026 R1027 T1032 I1033 | L991-A1029 HydrophobicContact CD1-CB 3.94Å; L991-A1029 HydrophobicContact CD2-CB 4.38Å; V1012-A1029 HydrophobicContact CG1-CB 3.87Å; A1016-A1029 HydrophobicContact CB-CB 4.27Å; V1025-A1029 WeakPolarHBondContact O-CB 3.36Å; V1025-A1029 PolarHBondContact O-N 3.12Å; R1026-A1029 WeakPolarHBondContact O-CB 3.44Å; R1026-A1029 PolarHBondContact O-N 3.29Å; R1027-A1029 PolarHBondContact O-N 3.35Å; A1029-T1032 PolarHBondContact O-N 3.23Å; A1029-I1033 WeakPolarHBondContact O-CG1 3.49Å; A1029-I1033 PolarHBondContact O-N 3.47Å |
| 1030 | I | 85.3 | Confident | 80.3 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66 | -44.5 | 176 | -64.6 | 171.3 | 0 | 0 | 0 | 110.7 | A1016 R1026 R1027 T1032 I1033 D1034 L1053 A1056 L1063 C1066 L1070 | A1016-I1030 HydrophobicContact CB-CG1 4.14Å; R1026-I1030 WeakPolarHBondContact O-CG1 3.31Å; R1026-I1030 PolarHBondContact O-N 3.31Å; R1027-I1030 PolarHBondContact O-N 2.74Å; R1027-I1030 VanDerWaalsContact O-N 3.13Å; I1030-T1032 VanDerWaalsContact C-N 3.27Å; I1030-T1032 PolarHBondContact O-N 2.61Å; I1030-I1033 PolarHBondContact O-N 3.27Å; I1030-D1034 PolarHBondContact O-N 3.17Å; I1030-D1034 VanDerWaalsContact O-N 3.11Å; I1030-L1053 HydrophobicContact CD1-CD2 4.28Å; I1030-L1053 HydrophobicContact CG1-CD2 4.3Å; I1030-L1053 HydrophobicContact CG2-CD2 4.09Å; I1030-A1056 HydrophobicContact CD1-CB 4.28Å; I1030-L1063 HydrophobicContact CD1-CB 4.42Å; I1030-L1063 HydrophobicContact CD1-CD1 4.31Å; I1030-L1063 HydrophobicContact CD1-CD2 4.33Å; I1030-C1066 HydrophobicContact CG2-CB 4.26Å; I1030-L1070 HydrophobicContact CG2-CB 4.4Å; I1030-L1070 HydrophobicContact CG2-CD2 4.12Å |
| 1031 | E | 84 | Confident | 80 | Confident | 51 Ų | 51 | 32.3 Ų | 32.3 | 24% | 0.238 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.4 | -34.2 | 176.5 | -70.3 | 173.9 | 179.6 | 0 | 0 | 112 | K995 R1027 S1028 I1033 D1034 V1035 | K995-E1031 IonicContact NZ-OE2 3.86Å; R1027-E1031 HydrophobicContact CG-CG 4.47Å; R1027-E1031 IonicContact CZ-OE1 3.19Å; R1027-E1031 IonicContact NE-OE1 3.25Å; R1027-E1031 PolarHBondContact NE-OE1 2.79Å; R1027-E1031 IonicContact NH2-OE1 2.83Å; R1027-E1031 WeakPolarHBondContact O-CG 3.36Å; R1027-E1031 PolarHBondContact O-N 3.37Å; S1028-E1031 PolarHBondContact O-N 3.3Å; E1031-I1033 PolarHBondContact O-N 2.97Å; E1031-D1034 WeakPolarHBondContact O-CB 3.45Å; E1031-D1034 PolarHBondContact O-N 3.5Å; E1031-V1035 WeakPolarHBondContact O-CG2 3.2Å; E1031-V1035 PolarHBondContact O-N 2.91Å |
| 1032 | T | 84.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.4 | -39.9 | 176.4 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | L991 L994 K995 S1028 A1029 I1030 D1034 V1035 F1036 | L991-T1032 HydrophobicContact CD2-CG2 4.43Å; L994-T1032 HydrophobicContact CB-CG2 3.94Å; K995-T1032 WeakPolarHBondContact CE-OG1 3.1Å; K995-T1032 HydrophobicContact CG-CG2 4.07Å; S1028-T1032 WeakPolarHBondContact O-CB 3.49Å; S1028-T1032 PolarHBondContact O-N 3.37Å; S1028-T1032 PolarHBondContact O-OG1 2.91Å; A1029-T1032 PolarHBondContact O-N 3.23Å; I1030-T1032 VanDerWaalsContact C-N 3.27Å; I1030-T1032 PolarHBondContact O-N 2.61Å; T1032-D1034 VanDerWaalsContact C-N 3.33Å; T1032-V1035 PolarHBondContact O-N 3.48Å; T1032-F1036 HydrophobicContact CG2-CE1 3.97Å; T1032-F1036 HydrophobicContact CG2-CE2 4.21Å; T1032-F1036 HydrophobicContact CG2-CZ 3.78Å; T1032-F1036 WeakPolarHBondContact O-CG 3.5Å; T1032-F1036 PolarHBondContact O-N 3.47Å |
| 1033 | I | 84.3 | Confident | 79.5 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.6 | -35.5 | 176.3 | -61.9 | 174 | 0 | 0 | 0 | 110.9 | V1012 L1013 A1029 I1030 E1031 V1035 F1036 G1037 L1042 I1049 L1070 | V1012-I1033 HydrophobicContact CG1-CD1 4.05Å; V1012-I1033 HydrophobicContact CG1-CG1 3.96Å; L1013-I1033 HydrophobicContact CD2-CD1 3.25Å; L1013-I1033 HydrophobicContact CG-CD1 3.67Å; A1029-I1033 WeakPolarHBondContact O-CG1 3.49Å; A1029-I1033 PolarHBondContact O-N 3.47Å; I1030-I1033 PolarHBondContact O-N 3.27Å; E1031-I1033 PolarHBondContact O-N 2.97Å; I1033-V1035 VanDerWaalsContact C-N 3.34Å; I1033-F1036 PolarHBondContact O-N 2.78Å; I1033-G1037 PolarHBondContact O-N 2.97Å; I1033-L1042 HydrophobicContact CG2-CD1 4.1Å; I1033-I1049 HydrophobicContact CG2-CD1 4.01Å; I1033-I1049 HydrophobicContact CG2-CG1 4.37Å; I1033-I1049 HydrophobicContact CG2-CG2 4.4Å; I1033-L1070 HydrophobicContact CB-CD2 3.99Å; I1033-L1070 HydrophobicContact CG2-CD1 4.17Å; I1033-L1070 HydrophobicContact CG2-CD2 3.73Å |
| 1034 | D | 82.1 | Confident | 79.4 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 173.3 | -164.9 | 37.5 | 0 | 0 | 0 | 111.3 | I1030 E1031 T1032 F1036 G1037 E1038 L1070 T1073 R1131 | I1030-D1034 PolarHBondContact O-N 3.17Å; I1030-D1034 VanDerWaalsContact O-N 3.11Å; E1031-D1034 WeakPolarHBondContact O-CB 3.45Å; E1031-D1034 PolarHBondContact O-N 3.5Å; T1032-D1034 VanDerWaalsContact C-N 3.33Å; D1034-F1036 PolarHBondContact O-N 3.22Å; D1034-G1037 PolarHBondContact O-N 3.47Å; D1034-E1038 PolarHBondContact O-N 3.33Å; D1034-L1070 HydrophobicContact CB-CB 4.48Å; D1034-L1070 HydrophobicContact CB-CD1 3.97Å; D1034-T1073 VanDerWaalsContact OD1-CB 3.28Å; D1034-T1073 WeakPolarHBondContact OD1-CB 3.44Å; D1034-T1073 PolarHBondContact OD1-OG1 2.85Å; D1034-R1131 IonicContact OD2-CZ 2.7Å; D1034-R1131 VanDerWaalsContact OD2-CZ 3.25Å; D1034-R1131 IonicContact OD2-NH1 3.92Å; D1034-R1131 PolarHBondContact OD2-NH1 3.39Å; D1034-R1131 IonicContact OD2-NH2 3.02Å; D1034-R1131 PolarHBondContact OD2-NH2 3.4Å |
| 1035 | V | 79 | Confident | 79.5 | Confident | 14 Ų | 14 | 29.9 Ų | 29.9 | 9% | 0.085 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.5 | -38.6 | 173.5 | 176.7 | 0 | 0 | 0 | 0 | 112.2 | K995 E1031 T1032 I1033 G1037 E1038 | K995-V1035 HydrophobicContact CB-CG1 4.32Å; K995-V1035 HydrophobicContact CB-CG2 4.5Å; K995-V1035 HydrophobicContact CG-CB 4.47Å; K995-V1035 HydrophobicContact CG-CG2 4.25Å; E1031-V1035 WeakPolarHBondContact O-CG2 3.2Å; E1031-V1035 PolarHBondContact O-N 2.91Å; T1032-V1035 PolarHBondContact O-N 3.48Å; I1033-V1035 VanDerWaalsContact C-N 3.34Å; V1035-G1037 PolarHBondContact O-N 2.87Å; V1035-E1038 WeakPolarHBondContact O-CB 3.49Å; V1035-E1038 PolarHBondContact O-N 3.37Å |
| 1036 | F | 82.1 | Confident | 79.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.9 | -35.3 | 174.4 | -68 | -11.6 | 0 | 0 | 0 | 112.2 | L994 F1005 I1009 T1032 I1033 D1034 E1038 S1039 S1040 L1042 | L994-F1036 HydrophobicContact CB-CE1 4.43Å; L994-F1036 HydrophobicContact CB-CZ 4.14Å; F1005-F1036 HydrophobicContact CD1-CD2 4.37Å; F1005-F1036 HydrophobicContact CD1-CE2 4.39Å; F1005-F1036 AromaticContact CE1-CD1 3.93Å; F1005-F1036 HydrophobicContact CE1-CD1 3.93Å; F1005-F1036 HydrophobicContact CE1-CD2 4.11Å; F1005-F1036 HydrophobicContact CE1-CE1 4.01Å; F1005-F1036 HydrophobicContact CE1-CE2 4.2Å; F1005-F1036 AromaticContact CE1-CG 3.98Å; F1005-F1036 HydrophobicContact CE1-CG 3.98Å; F1005-F1036 HydrophobicContact CE1-CZ 4.14Å; F1005-F1036 HydrophobicContact CE2-CB 4.11Å; F1005-F1036 HydrophobicContact CE2-CG 4.35Å; F1005-F1036 HydrophobicContact CZ-CB 4.02Å; F1005-F1036 AromaticContact CZ-CD1 3.83Å; F1005-F1036 HydrophobicContact CZ-CD1 3.83Å; F1005-F1036 HydrophobicContact CZ-CD2 4.36Å; F1005-F1036 HydrophobicContact CZ-CE1 4.35Å; F1005-F1036 AromaticContact CZ-CG 3.83Å; F1005-F1036 HydrophobicContact CZ-CG 3.83Å; I1009-F1036 HydrophobicContact CG1-CD2 4.16Å; T1032-F1036 HydrophobicContact CG2-CE1 3.97Å; T1032-F1036 HydrophobicContact CG2-CE2 4.21Å; T1032-F1036 HydrophobicContact CG2-CZ 3.78Å; T1032-F1036 WeakPolarHBondContact O-CG 3.5Å; T1032-F1036 PolarHBondContact O-N 3.47Å; I1033-F1036 PolarHBondContact O-N 2.78Å; D1034-F1036 PolarHBondContact O-N 3.22Å; F1036-E1038 PolarHBondContact O-N 3.48Å; F1036-S1039 PolarHBondContact O-N 2.84Å; F1036-S1039 VanDerWaalsContact O-N 3.15Å; F1036-S1039 PolarHBondContact O-OG 3.16Å; F1036-S1040 PolarHBondContact O-N 2.84Å; F1036-L1042 HydrophobicContact CB-CD2 4.37Å |
| 1037 | G | 72.2 | Confident | 79.2 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.6 | -23.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1033 D1034 V1035 S1039 L1042 H1077 | I1033-G1037 PolarHBondContact O-N 2.97Å; D1034-G1037 PolarHBondContact O-N 3.47Å; V1035-G1037 PolarHBondContact O-N 2.87Å; G1037-S1039 VanDerWaalsContact C-N 3.33Å; G1037-L1042 VanDerWaalsContact CA-CD1 3.45Å; G1037-H1077 PolarHBondContact O-CE1 3.23Å; G1037-H1077 PolarHBondContact O-NE2 3.33Å |
| 1038 | E | 72.9 | Confident | 79.1 | Confident | 41 Ų | 41 | 33.5 Ų | 33.5 | 19% | 0.192 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73.3 | -27.4 | 174 | -57.9 | 177.5 | -166.6 | 0 | 0 | 112.2 | D1034 V1035 F1036 V1128 R1131 | D1034-E1038 PolarHBondContact O-N 3.33Å; V1035-E1038 WeakPolarHBondContact O-CB 3.49Å; V1035-E1038 PolarHBondContact O-N 3.37Å; F1036-E1038 PolarHBondContact O-N 3.48Å; E1038-V1128 HydrophobicContact CG-CG2 4.23Å; E1038-R1131 IonicContact OE1-NH1 2.88Å; E1038-R1131 PolarHBondContact OE1-NH1 3.5Å; E1038-R1131 VanDerWaalsContact OE1-NH1 3.12Å |
| 1039 | S | 68.4 | Low | 79.2 | Confident | 43 Ų | 43 | 33 Ų | 33 | 30% | 0.301 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -95.8 | -28.7 | -174.3 | 63.1 | 0 | 0 | 0 | 0 | 114.5 | F1036 G1037 | F1036-S1039 PolarHBondContact O-N 2.84Å; F1036-S1039 VanDerWaalsContact O-N 3.15Å; F1036-S1039 PolarHBondContact O-OG 3.16Å; G1037-S1039 VanDerWaalsContact C-N 3.33Å |
| 1040 | S | 69 | Low | 79.1 | Confident | 22 Ų | 22 | 33 Ų | 33 | 15% | 0.154 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -150.2 | 159.1 | -176.7 | 74.5 | 0 | 0 | 0 | 0 | 111.7 | E1002 F1005 F1036 L1042 | E1002-S1040 WeakPolarHBondContact OE1-CB 3.39Å; F1005-S1040 VanDerWaalsContact CE2-OG 3.27Å; F1005-S1040 WeakPolarHBondContact CE2-OG 3.48Å; F1036-S1040 PolarHBondContact O-N 2.84Å; S1040-L1042 PolarHBondContact O-N 3.14Å |
| 1041 | S | 68.8 | Low | 79.2 | Confident | 78 Ų | 78 | 38.3 Ų | 38.3 | 55% | 0.545 | 21% | 0.208 | S | C | . | . | trans | -74.4 | 109.6 | 176.3 | 64 | 0 | 0 | 0 | 0 | 111.6 | T1043 | S1041-T1043 PolarHBondContact O-N 2.63Š| ||
| 1042 | L | 74.5 | Confident | 79.2 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -72.8 | 15.5 | 177.4 | -65.2 | 173.1 | 0 | 0 | 0 | 114.9 | I1009 I1033 F1036 G1037 S1040 T1044 F1045 A1046 I1049 L1074 | I1009-L1042 HydrophobicContact CD1-CD2 3.75Å; I1033-L1042 HydrophobicContact CG2-CD1 4.1Å; F1036-L1042 HydrophobicContact CB-CD2 4.37Å; G1037-L1042 VanDerWaalsContact CA-CD1 3.45Å; S1040-L1042 PolarHBondContact O-N 3.14Å; L1042-T1044 VanDerWaalsContact C-N 3.26Å; L1042-T1044 PolarHBondContact O-N 2.88Å; L1042-F1045 PolarHBondContact O-N 3.14Å; L1042-F1045 VanDerWaalsContact O-N 3.09Å; L1042-A1046 PolarHBondContact O-N 3.36Å; L1042-I1049 HydrophobicContact CB-CD1 4.14Å; L1042-I1049 HydrophobicContact CD1-CD1 4.13Å; L1042-I1049 HydrophobicContact CD2-CD1 4.42Å; L1042-I1049 HydrophobicContact CG-CD1 4.48Å; L1042-L1074 HydrophobicContact CB-CD2 3.89Å; L1042-L1074 HydrophobicContact CD1-CD2 4.19Å |
| 1043 | T | 76.2 | Confident | 79.1 | Confident | 58 Ų | 58 | 36.5 Ų | 36.5 | 36% | 0.356 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -57.1 | -38 | -172.3 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | S1041 F1045 A1046 M1078 | S1041-T1043 PolarHBondContact O-N 2.63Å; T1043-F1045 VanDerWaalsContact C-N 3.32Å; T1043-F1045 PolarHBondContact O-N 3.4Å; T1043-A1046 WeakPolarHBondContact O-CB 3.41Å; T1043-A1046 PolarHBondContact O-N 3.09Å; T1043-M1078 HydrophobicContact CG2-CG 4.11Å |
| 1044 | T | 78.2 | Confident | 79.1 | Confident | 108 Ų | 108 | 37.4 Ų | 37.4 | 66% | 0.663 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -70 | -25.6 | -179 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | L1042 | L1042-T1044 VanDerWaalsContact C-N 3.26Å; L1042-T1044 PolarHBondContact O-N 2.88Å |
| 1045 | F | 82.2 | Confident | 79.2 | Confident | 49 Ų | 49 | 39.7 Ų | 39.7 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -103.2 | -0.5 | -179.1 | -54.7 | -71.7 | 0 | 0 | 0 | 113.2 | F1005 H1006 I1009 L1042 T1043 S1047 R1048 I1049 | F1005-F1045 HydrophobicContact CB-CE2 4.4Å; H1006-F1045 HydrophobicContact CB-CE1 4.22Å; H1006-F1045 HydrophobicContact CB-CZ 3.93Å; I1009-F1045 HydrophobicContact CD1-CB 4.5Å; I1009-F1045 HydrophobicContact CD1-CD2 3.47Å; I1009-F1045 VanDerWaalsContact CD1-CD2 3.47Å; I1009-F1045 HydrophobicContact CD1-CE2 3.75Å; I1009-F1045 HydrophobicContact CD1-CG 3.94Å; I1009-F1045 HydrophobicContact CD1-CZ 4.43Å; I1009-F1045 HydrophobicContact CG2-CB 4.26Å; I1009-F1045 HydrophobicContact CG2-CG 4.31Å; L1042-F1045 PolarHBondContact O-N 3.14Å; L1042-F1045 VanDerWaalsContact O-N 3.09Å; T1043-F1045 VanDerWaalsContact C-N 3.32Å; T1043-F1045 PolarHBondContact O-N 3.4Å; F1045-S1047 VanDerWaalsContact C-N 3.31Å; F1045-S1047 PolarHBondContact O-N 3.11Å; F1045-R1048 PolarHBondContact O-N 3.36Å; F1045-I1049 HydrophobicContact CB-CD1 3.87Å; F1045-I1049 HydrophobicContact CB-CG1 4.25Å; F1045-I1049 WeakPolarHBondContact O-CG1 3.48Å; F1045-I1049 PolarHBondContact O-N 3.17Å |
| 1046 | A | 80.7 | Confident | 79.3 | Confident | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -52.7 | -43.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1042 T1043 R1048 I1049 I1050 M1078 | L1042-A1046 PolarHBondContact O-N 3.36Å; T1043-A1046 WeakPolarHBondContact O-CB 3.41Å; T1043-A1046 PolarHBondContact O-N 3.09Å; A1046-R1048 PolarHBondContact O-N 3.39Å; A1046-I1049 PolarHBondContact O-N 3.06Å; A1046-I1050 WeakPolarHBondContact O-CB 3.42Å; A1046-I1050 WeakPolarHBondContact O-CD1 3.49Å; A1046-I1050 WeakPolarHBondContact O-CG1 3.35Å; A1046-I1050 PolarHBondContact O-N 3.12Å; A1046-M1078 HydrophobicContact CB-CE 3.51Å; A1046-M1078 HydrophobicContact CB-SD 3.38Å; A1046-M1078 WeakPolarHBondContact CB-SD 3.41Å |
| 1047 | S | 84.2 | Confident | 79.2 | Confident | 60 Ų | 60 | 39.1 Ų | 39.1 | 42% | 0.42 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 178 | 59.8 | 0 | 0 | 0 | 0 | 111.8 | F1045 I1050 H1051 | F1045-S1047 VanDerWaalsContact C-N 3.31Å; F1045-S1047 PolarHBondContact O-N 3.11Å; S1047-I1050 PolarHBondContact O-N 3.08Å; S1047-H1051 WeakPolarHBondContact O-CB 3.42Å; S1047-H1051 PolarHBondContact O-CD2 3.19Å; S1047-H1051 PolarHBondContact O-N 3.32Å |
| 1048 | R | 83.3 | Confident | 79.7 | Confident | 147 Ų | 147 | 42 Ų | 42 | 56% | 0.555 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -69.7 | -38.9 | -177.7 | -160.8 | 167.4 | -179.2 | 128.4 | -1.1 | 111.9 | L1013 F1045 A1046 T1052 | L1013-R1048 HydrophobicContact CD1-CB 4.24Å; L1013-R1048 HydrophobicContact CD1-CG 3.92Å; F1045-R1048 PolarHBondContact O-N 3.36Å; A1046-R1048 PolarHBondContact O-N 3.39Å; R1048-T1052 WeakPolarHBondContact O-CB 3.29Å; R1048-T1052 PolarHBondContact O-N 3.36Å; R1048-T1052 VanDerWaalsContact O-N 3.09Å; R1048-T1052 PolarHBondContact O-OG1 3.14Å |
| 1049 | I | 84.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.8 | -51.6 | 175.6 | -62.1 | 166.5 | 0 | 0 | 0 | 109.7 | I1009 L1013 I1033 L1042 F1045 A1046 H1051 T1052 L1053 L1070 L1074 | I1009-I1049 HydrophobicContact CG2-CG1 4.4Å; L1013-I1049 HydrophobicContact CD1-CG1 3.94Å; L1013-I1049 HydrophobicContact CD2-CB 4.49Å; L1013-I1049 HydrophobicContact CD2-CG1 4.25Å; I1033-I1049 HydrophobicContact CG2-CD1 4.01Å; I1033-I1049 HydrophobicContact CG2-CG1 4.37Å; I1033-I1049 HydrophobicContact CG2-CG2 4.4Å; L1042-I1049 HydrophobicContact CB-CD1 4.14Å; L1042-I1049 HydrophobicContact CD1-CD1 4.13Å; L1042-I1049 HydrophobicContact CD2-CD1 4.42Å; L1042-I1049 HydrophobicContact CG-CD1 4.48Å; F1045-I1049 HydrophobicContact CB-CD1 3.87Å; F1045-I1049 HydrophobicContact CB-CG1 4.25Å; F1045-I1049 WeakPolarHBondContact O-CG1 3.48Å; F1045-I1049 PolarHBondContact O-N 3.17Å; A1046-I1049 PolarHBondContact O-N 3.06Å; I1049-H1051 PolarHBondContact O-N 3.41Å; I1049-T1052 PolarHBondContact O-N 3.11Å; I1049-T1052 VanDerWaalsContact O-N 3.15Å; I1049-L1053 HydrophobicContact CG2-CD1 3.92Å; I1049-L1053 HydrophobicContact CG2-CG 4.18Å; I1049-L1053 VanDerWaalsContact O-CG 3.32Å; I1049-L1053 WeakPolarHBondContact O-CG 3.41Å; I1049-L1053 PolarHBondContact O-N 2.86Å; I1049-L1070 HydrophobicContact CG2-CD2 3.87Å; I1049-L1070 HydrophobicContact CG2-CG 4.42Å; I1049-L1074 HydrophobicContact CB-CD1 4.42Å; I1049-L1074 HydrophobicContact CG2-CD1 3.85Å |
| 1050 | I | 85.2 | Confident | 80.6 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61 | -46.2 | -177.7 | -68.8 | 168.6 | 0 | 0 | 0 | 111.4 | A1046 S1047 T1052 L1053 V1054 L1074 F1082 F1085 I1089 | A1046-I1050 WeakPolarHBondContact O-CB 3.42Å; A1046-I1050 WeakPolarHBondContact O-CD1 3.49Å; A1046-I1050 WeakPolarHBondContact O-CG1 3.35Å; A1046-I1050 PolarHBondContact O-N 3.12Å; S1047-I1050 PolarHBondContact O-N 3.08Å; I1050-T1052 VanDerWaalsContact C-N 3.31Å; I1050-T1052 PolarHBondContact O-N 3.47Å; I1050-L1053 PolarHBondContact O-N 3.45Å; I1050-V1054 WeakPolarHBondContact O-CG2 3.49Å; I1050-V1054 PolarHBondContact O-N 2.85Å; I1050-L1074 HydrophobicContact CG1-CD1 4.1Å; I1050-F1082 HydrophobicContact CD1-CD2 4.29Å; I1050-F1082 HydrophobicContact CD1-CE2 3.77Å; I1050-F1082 HydrophobicContact CD1-CZ 4.5Å; I1050-F1082 HydrophobicContact CG1-CE2 4.49Å; I1050-F1085 HydrophobicContact CD1-CB 3.65Å; I1050-F1085 HydrophobicContact CD1-CD1 3.73Å; I1050-F1085 HydrophobicContact CD1-CD2 3.59Å; I1050-F1085 HydrophobicContact CD1-CE1 4.27Å; I1050-F1085 HydrophobicContact CD1-CE2 4.15Å; I1050-F1085 HydrophobicContact CD1-CG 3.35Å; I1050-F1085 HydrophobicContact CD1-CZ 4.46Å; I1050-F1085 HydrophobicContact CG2-CB 4.39Å; I1050-F1085 HydrophobicContact CG2-CD1 4.32Å; I1050-I1089 HydrophobicContact CD1-CD1 4.47Å; I1050-I1089 HydrophobicContact CG1-CD1 4.45Å; I1050-I1089 HydrophobicContact CG2-CD1 3.91Å; I1050-I1089 HydrophobicContact CG2-CG1 4.01Å |
| 1051 | H | 85.9 | Confident | 81 | Confident | 113 Ų | 113 | 49.5 Ų | 49.5 | 52% | 0.523 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 176.4 | -79.2 | -65 | 0 | 0 | 0 | 112.3 | S1047 I1049 V1054 V1055 | S1047-H1051 WeakPolarHBondContact O-CB 3.42Å; S1047-H1051 PolarHBondContact O-CD2 3.19Å; S1047-H1051 PolarHBondContact O-N 3.32Å; I1049-H1051 PolarHBondContact O-N 3.41Å; H1051-V1054 PolarHBondContact O-N 2.87Å; H1051-V1055 WeakPolarHBondContact O-CG2 3.38Å; H1051-V1055 PolarHBondContact O-N 3.49Å; H1051-V1055 VanDerWaalsContact O-N 3.16Å |
| 1052 | T | 84.9 | Confident | 81.4 | Confident | 9 Ų | 9 | 52 Ų | 52 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 176.4 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | L1013 A1016 E1017 R1048 I1049 I1050 V1055 A1056 | L1013-T1052 HydrophobicContact CB-CG2 4.14Å; L1013-T1052 HydrophobicContact CD2-CG2 3.8Å; L1013-T1052 WeakPolarHBondContact O-CG2 3.48Å; A1016-T1052 HydrophobicContact CB-CG2 4.31Å; E1017-T1052 HydrophobicContact CB-CG2 4.19Å; R1048-T1052 WeakPolarHBondContact O-CB 3.29Å; R1048-T1052 PolarHBondContact O-N 3.36Å; R1048-T1052 VanDerWaalsContact O-N 3.09Å; R1048-T1052 PolarHBondContact O-OG1 3.14Å; I1049-T1052 PolarHBondContact O-N 3.11Å; I1049-T1052 VanDerWaalsContact O-N 3.15Å; I1050-T1052 VanDerWaalsContact C-N 3.31Å; I1050-T1052 PolarHBondContact O-N 3.47Å; T1052-V1055 PolarHBondContact O-N 3.25Å; T1052-A1056 WeakPolarHBondContact O-CB 3.32Å; T1052-A1056 PolarHBondContact O-N 3.26Å |
| 1053 | L | 83.5 | Confident | 81.7 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 177.8 | -71.3 | -179.2 | 0 | 0 | 0 | 112.1 | I1030 I1049 I1050 V1055 A1056 M1057 A1067 L1070 V1071 | I1030-L1053 HydrophobicContact CD1-CD2 4.28Å; I1030-L1053 HydrophobicContact CG1-CD2 4.3Å; I1030-L1053 HydrophobicContact CG2-CD2 4.09Å; I1049-L1053 HydrophobicContact CG2-CD1 3.92Å; I1049-L1053 HydrophobicContact CG2-CG 4.18Å; I1049-L1053 VanDerWaalsContact O-CG 3.32Å; I1049-L1053 WeakPolarHBondContact O-CG 3.41Å; I1049-L1053 PolarHBondContact O-N 2.86Å; I1050-L1053 PolarHBondContact O-N 3.45Å; L1053-V1055 VanDerWaalsContact C-N 3.33Å; L1053-V1055 PolarHBondContact O-N 3.02Å; L1053-A1056 PolarHBondContact O-N 3.47Å; L1053-M1057 WeakPolarHBondContact O-CB 3.15Å; L1053-M1057 WeakPolarHBondContact O-CG 3.33Å; L1053-M1057 PolarHBondContact O-N 2.73Å; L1053-A1067 HydrophobicContact CD2-CB 3.9Å; L1053-L1070 HydrophobicContact CD1-CB 4.23Å; L1053-L1070 HydrophobicContact CD1-CD2 3.88Å; L1053-L1070 HydrophobicContact CD1-CG 3.97Å; L1053-L1070 HydrophobicContact CD2-CD2 4.15Å; L1053-L1070 HydrophobicContact CG-CD2 4.41Å; L1053-V1071 HydrophobicContact CD1-CG2 3.83Å |
| 1054 | V | 83.8 | Confident | 82.2 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.7 | -47.8 | 172.8 | 163.6 | 0 | 0 | 0 | 0 | 110.7 | I1050 H1051 A1056 M1057 D1058 V1088 T1092 | I1050-V1054 WeakPolarHBondContact O-CG2 3.49Å; I1050-V1054 PolarHBondContact O-N 2.85Å; H1051-V1054 PolarHBondContact O-N 2.87Å; V1054-A1056 VanDerWaalsContact C-N 3.34Å; V1054-A1056 PolarHBondContact O-N 3.32Å; V1054-M1057 PolarHBondContact O-N 2.86Å; V1054-D1058 PolarHBondContact O-N 3.28Å; V1054-V1088 HydrophobicContact CG2-CG1 4.03Å; V1054-T1092 HydrophobicContact CB-CG2 4.27Å; V1054-T1092 HydrophobicContact CG1-CG2 3.5Å; V1054-T1092 HydrophobicContact CG2-CG2 4.03Å |
| 1055 | V | 84 | Confident | 82.3 | Confident | 54 Ų | 54 | 47.9 Ų | 47.9 | 33% | 0.327 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.9 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | E1017 H1051 T1052 L1053 S1059 | E1017-V1055 HydrophobicContact CG-CG1 3.97Å; H1051-V1055 WeakPolarHBondContact O-CG2 3.38Å; H1051-V1055 PolarHBondContact O-N 3.49Å; H1051-V1055 VanDerWaalsContact O-N 3.16Å; T1052-V1055 PolarHBondContact O-N 3.25Å; L1053-V1055 VanDerWaalsContact C-N 3.33Å; L1053-V1055 PolarHBondContact O-N 3.02Å; V1055-S1059 WeakPolarHBondContact O-CB 3.47Å; V1055-S1059 PolarHBondContact O-N 3.09Å; V1055-S1059 VanDerWaalsContact O-N 3.09Å |
| 1056 | A | 81.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.3 | -41.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1030 T1052 L1053 V1054 S1059 S1060 L1063 | I1030-A1056 HydrophobicContact CD1-CB 4.28Å; T1052-A1056 WeakPolarHBondContact O-CB 3.32Å; T1052-A1056 PolarHBondContact O-N 3.26Å; L1053-A1056 PolarHBondContact O-N 3.47Å; V1054-A1056 VanDerWaalsContact C-N 3.34Å; V1054-A1056 PolarHBondContact O-N 3.32Å; A1056-S1059 PolarHBondContact O-N 2.91Å; A1056-S1059 VanDerWaalsContact O-N 3.17Å; A1056-S1059 PolarHBondContact O-OG 2.93Å; A1056-S1060 PolarHBondContact O-N 3.05Å; A1056-L1063 HydrophobicContact CB-CD1 4.4Å |
| 1057 | M | 79.7 | Confident | 82.4 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.5 | -41.2 | 176.7 | -72.1 | 171.9 | 71.3 | 0 | 0 | 111.8 | L1053 V1054 S1059 H1064 A1067 M1068 V1093 I1098 | L1053-M1057 WeakPolarHBondContact O-CB 3.15Å; L1053-M1057 WeakPolarHBondContact O-CG 3.33Å; L1053-M1057 PolarHBondContact O-N 2.73Å; V1054-M1057 PolarHBondContact O-N 2.86Å; M1057-S1059 PolarHBondContact O-N 2.84Å; M1057-H1064 PolarHBondContact O-CD2 2.84Å; M1057-H1064 PolarHBondContact O-NE2 3.2Å; M1057-A1067 HydrophobicContact CG-CB 3.59Å; M1057-A1067 HydrophobicContact SD-CB 3.99Å; M1057-M1068 HydrophobicContact CE-CG 4.02Å; M1057-M1068 HydrophobicContact CE-SD 3.53Å; M1057-M1068 VanDerWaalsContact CE-SD 3.53Å; M1057-M1068 HydrophobicContact SD-SD 4.26Å; M1057-V1093 HydrophobicContact CE-CG2 4.16Å; M1057-I1098 HydrophobicContact CE-CD1 3.32Å |
| 1058 | D | 81.5 | Confident | 82.5 | Confident | 63 Ų | 63 | 43 Ų | 43 | 34% | 0.337 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.3 | -24.3 | 174.5 | -80.4 | 3.5 | 0 | 0 | 0 | 112.1 | V1054 R1095 N1096 | V1054-D1058 PolarHBondContact O-N 3.28Å; D1058-R1095 IonicContact OD2-NH1 3.04Å; D1058-R1095 PolarHBondContact OD2-NH1 3.29Å; D1058-N1096 PolarHBondContact OD1-ND2 2.9Å |
| 1059 | S | 81.4 | Confident | 82.4 | Confident | 38 Ų | 38 | 37 Ų | 37 | 27% | 0.266 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -80.8 | -36.9 | -175.3 | 74.5 | 0 | 0 | 0 | 0 | 115.1 | R1026 V1055 A1056 M1057 | R1026-S1059 PolarHBondContact NH1-OG 3.41Å; R1026-S1059 PolarHBondContact NH2-OG 3.25Å; V1055-S1059 WeakPolarHBondContact O-CB 3.47Å; V1055-S1059 PolarHBondContact O-N 3.09Å; V1055-S1059 VanDerWaalsContact O-N 3.09Å; A1056-S1059 PolarHBondContact O-N 2.91Å; A1056-S1059 VanDerWaalsContact O-N 3.17Å; A1056-S1059 PolarHBondContact O-OG 2.93Å; M1057-S1059 PolarHBondContact O-N 2.84Å |
| 1060 | S | 79.1 | Confident | 82.4 | Confident | 21 Ų | 21 | 37 Ų | 37 | 15% | 0.147 | 19% | 0.186 | C | C | . | . | trans | -159 | 135 | -172.5 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | A1056 E1062 L1063 H1064 | A1056-S1060 PolarHBondContact O-N 3.05Å; S1060-E1062 VanDerWaalsContact C-N 3.34Å; S1060-E1062 PolarHBondContact O-N 3.13Å; S1060-L1063 PolarHBondContact O-N 3.48Å; S1060-L1063 VanDerWaalsContact OG-CD1 3.23Å; S1060-L1063 WeakPolarHBondContact OG-CD1 3.21Å; S1060-L1063 VanDerWaalsContact OG-CG 3.31Å; S1060-L1063 WeakPolarHBondContact OG-CG 3.47Å; S1060-H1064 PolarHBondContact O-CD2 3.43Å | ||
| 1061 | R | 78.5 | Confident | 82.3 | Confident | 204 Ų | 204 | 37 Ų | 37 | 77% | 0.77 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -67.3 | -30.5 | -176.5 | -163 | 176.9 | -174.1 | 178.1 | 1.2 | 114.1 | L1063 H1064 | R1061-L1063 VanDerWaalsContact C-N 3.25Å; R1061-L1063 PolarHBondContact O-N 3.44Å; R1061-H1064 VanDerWaalsContact O-CB 3.27Å; R1061-H1064 WeakPolarHBondContact O-CB 3.44Å; R1061-H1064 PolarHBondContact O-N 3.39Å |
| 1062 | E | 76.5 | Confident | 82.1 | Confident | 130 Ų | 130 | 31.6 Ų | 31.6 | 61% | 0.607 | 16% | 0.161 | S | C | * | . | G | 310 helix | trans | -69.1 | -23 | -178.4 | -68.4 | 152.8 | -164.4 | 0 | 0 | 113.1 | L1023 S1060 H1064 | L1023-E1062 WeakPolarHBondContact CD1-OE2 3.14Å; S1060-E1062 VanDerWaalsContact C-N 3.34Å; S1060-E1062 PolarHBondContact O-N 3.13Å; E1062-H1064 VanDerWaalsContact C-N 3.32Å |
| 1063 | L | 81.6 | Confident | 81.8 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -84.1 | -5.6 | 176.3 | -62.1 | -179.2 | 0 | 0 | 0 | 113 | R1026 R1027 I1030 A1056 S1060 R1061 S1065 C1066 A1067 | R1026-L1063 HydrophobicContact CB-CD1 4.19Å; R1027-L1063 HydrophobicContact CB-CD2 3.78Å; I1030-L1063 HydrophobicContact CD1-CB 4.42Å; I1030-L1063 HydrophobicContact CD1-CD1 4.31Å; I1030-L1063 HydrophobicContact CD1-CD2 4.33Å; A1056-L1063 HydrophobicContact CB-CD1 4.4Å; S1060-L1063 PolarHBondContact O-N 3.48Å; S1060-L1063 VanDerWaalsContact OG-CD1 3.23Å; S1060-L1063 WeakPolarHBondContact OG-CD1 3.21Å; S1060-L1063 VanDerWaalsContact OG-CG 3.31Å; S1060-L1063 WeakPolarHBondContact OG-CG 3.47Å; R1061-L1063 VanDerWaalsContact C-N 3.25Å; R1061-L1063 PolarHBondContact O-N 3.44Å; L1063-S1065 PolarHBondContact O-N 2.99Å; L1063-C1066 VanDerWaalsContact CA-SG 3.6Å; L1063-C1066 PolarHBondContact O-SG 3.47Å; L1063-A1067 WeakPolarHBondContact O-CB 3.29Å; L1063-A1067 PolarHBondContact O-N 2.79Å |
| 1064 | H | 85.2 | Confident | 81.6 | Confident | 25 Ų | 25 | 31.2 Ų | 31.2 | 12% | 0.116 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | -176.3 | -68.7 | 177.4 | 0 | 0 | 0 | 112.5 | M1057 S1060 R1061 E1062 M1068 I1098 | M1057-H1064 PolarHBondContact O-CD2 2.84Å; M1057-H1064 PolarHBondContact O-NE2 3.2Å; S1060-H1064 PolarHBondContact O-CD2 3.43Å; R1061-H1064 VanDerWaalsContact O-CB 3.27Å; R1061-H1064 WeakPolarHBondContact O-CB 3.44Å; R1061-H1064 PolarHBondContact O-N 3.39Å; E1062-H1064 VanDerWaalsContact C-N 3.32Å; H1064-M1068 VanDerWaalsContact O-CB 3.27Å; H1064-M1068 WeakPolarHBondContact O-CB 3.45Å; H1064-M1068 WeakPolarHBondContact O-CG 3.38Å; H1064-M1068 PolarHBondContact O-N 3.17Å; H1064-I1098 HydrophobicContact CB-CD1 4.01Å; H1064-I1098 HydrophobicContact CB-CG1 4.47Å; H1064-I1098 VanDerWaalsContact CG-CD1 3.49Å; H1064-I1098 WeakPolarHBondContact ND1-CD1 3.11Å; H1064-I1098 WeakPolarHBondContact ND1-CG1 3.24Å |
| 1065 | S | 81.7 | Confident | 81.5 | Confident | 56 Ų | 56 | 30.2 Ų | 30.2 | 39% | 0.392 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.5 | -49.3 | -178.2 | 56 | 0 | 0 | 0 | 0 | 112 | L1063 M1068 D1069 | L1063-S1065 PolarHBondContact O-N 2.99Å; S1065-M1068 PolarHBondContact O-N 3.01Å; S1065-D1069 PolarHBondContact O-N 3.49Å |
| 1066 | C | 81 | Confident | 81.2 | Confident | 9 Ų | 9 | 27.8 Ų | 27.8 | 6% | 0.061 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.5 | -37.2 | 179.5 | 56.5 | 0 | 0 | 0 | 0 | 112.5 | I1030 L1063 D1069 L1070 | I1030-C1066 HydrophobicContact CG2-CB 4.26Å; L1063-C1066 VanDerWaalsContact CA-SG 3.6Å; L1063-C1066 PolarHBondContact O-SG 3.47Å; C1066-D1069 PolarHBondContact O-N 3.41Å; C1066-L1070 PolarHBondContact O-N 2.9Å; C1066-L1070 VanDerWaalsContact O-N 3.1Å |
| 1067 | A | 83.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.9 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1053 M1057 L1063 D1069 L1070 V1071 | L1053-A1067 HydrophobicContact CD2-CB 3.9Å; M1057-A1067 HydrophobicContact CG-CB 3.59Å; M1057-A1067 HydrophobicContact SD-CB 3.99Å; L1063-A1067 WeakPolarHBondContact O-CB 3.29Å; L1063-A1067 PolarHBondContact O-N 2.79Å; A1067-D1069 VanDerWaalsContact C-N 3.33Å; A1067-L1070 PolarHBondContact O-N 3.03Å; A1067-V1071 WeakPolarHBondContact O-CG2 3.45Å; A1067-V1071 PolarHBondContact O-N 2.97Å |
| 1068 | M | 85 | Confident | 80.7 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.4 | -32.1 | 177.4 | -73.5 | -58 | -65.2 | 0 | 0 | 112.6 | M1057 H1064 S1065 V1071 C1072 V1093 I1098 Y1100 Y1103 | M1057-M1068 HydrophobicContact CE-CG 4.02Å; M1057-M1068 HydrophobicContact CE-SD 3.53Å; M1057-M1068 VanDerWaalsContact CE-SD 3.53Å; M1057-M1068 HydrophobicContact SD-SD 4.26Å; H1064-M1068 VanDerWaalsContact O-CB 3.27Å; H1064-M1068 WeakPolarHBondContact O-CB 3.45Å; H1064-M1068 WeakPolarHBondContact O-CG 3.38Å; H1064-M1068 PolarHBondContact O-N 3.17Å; S1065-M1068 PolarHBondContact O-N 3.01Å; M1068-V1071 PolarHBondContact O-N 3.41Å; M1068-C1072 PolarHBondContact O-N 3.5Å; M1068-C1072 PolarHBondContact O-SG 3.44Å; M1068-V1093 HydrophobicContact CE-CG2 3.99Å; M1068-V1093 HydrophobicContact SD-CG2 3.82Å; M1068-I1098 HydrophobicContact CG-CG2 4.11Å; M1068-Y1100 HydrophobicContact CB-CD1 3.93Å; M1068-Y1100 HydrophobicContact CB-CD2 4.24Å; M1068-Y1100 HydrophobicContact CB-CE1 4.23Å; M1068-Y1100 HydrophobicContact CB-CG 3.95Å; M1068-Y1100 HydrophobicContact CE-CD1 4.45Å; M1068-Y1100 HydrophobicContact CE-CG 4.42Å; M1068-Y1100 HydrophobicContact CG-CG 4.42Å; M1068-Y1103 HydrophobicContact CE-CD1 3.87Å; M1068-Y1103 HydrophobicContact CE-CD2 4.09Å; M1068-Y1103 HydrophobicContact CE-CG 3.58Å |
| 1069 | D | 81.7 | Confident | 80.5 | Confident | 19 Ų | 19 | 27.5 Ų | 27.5 | 10% | 0.102 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.8 | -48.5 | 171.1 | -90.7 | -42.3 | 0 | 0 | 0 | 111.6 | S1065 C1066 A1067 V1071 C1072 T1073 Y1100 R1102 K1127 | S1065-D1069 PolarHBondContact O-N 3.49Å; C1066-D1069 PolarHBondContact O-N 3.41Å; A1067-D1069 VanDerWaalsContact C-N 3.33Å; D1069-V1071 VanDerWaalsContact C-N 3.29Å; D1069-V1071 PolarHBondContact O-N 3.03Å; D1069-C1072 WeakPolarHBondContact O-CA 3.45Å; D1069-C1072 WeakPolarHBondContact O-CB 3.43Å; D1069-C1072 PolarHBondContact O-N 3.3Å; D1069-T1073 PolarHBondContact O-N 3.33Å; D1069-T1073 PolarHBondContact O-OG1 3.46Å; D1069-T1073 VanDerWaalsContact O-OG1 3.12Å; D1069-Y1100 PolarHBondContact OD1-OH 2.76Å; D1069-Y1100 PolarHBondContact OD2-OH 3.33Å; D1069-R1102 IonicContact OD1-NH1 2.9Å; D1069-R1102 PolarHBondContact OD1-NH1 3.3Å; D1069-K1127 IonicContact OD1-NZ 2.61Å; D1069-K1127 PolarHBondContact OD1-NZ 3.25Å; D1069-K1127 IonicContact OD2-NZ 3.93Å; D1069-K1127 PolarHBondContact OD2-NZ 3.26Å |
| 1070 | L | 84.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.2 | -37.1 | 176.1 | 178.7 | 57 | 0 | 0 | 0 | 112 | I1030 I1033 D1034 I1049 L1053 C1066 A1067 C1072 T1073 L1074 | I1030-L1070 HydrophobicContact CG2-CB 4.4Å; I1030-L1070 HydrophobicContact CG2-CD2 4.12Å; I1033-L1070 HydrophobicContact CB-CD2 3.99Å; I1033-L1070 HydrophobicContact CG2-CD1 4.17Å; I1033-L1070 HydrophobicContact CG2-CD2 3.73Å; D1034-L1070 HydrophobicContact CB-CB 4.48Å; D1034-L1070 HydrophobicContact CB-CD1 3.97Å; I1049-L1070 HydrophobicContact CG2-CD2 3.87Å; I1049-L1070 HydrophobicContact CG2-CG 4.42Å; L1053-L1070 HydrophobicContact CD1-CB 4.23Å; L1053-L1070 HydrophobicContact CD1-CD2 3.88Å; L1053-L1070 HydrophobicContact CD1-CG 3.97Å; L1053-L1070 HydrophobicContact CD2-CD2 4.15Å; L1053-L1070 HydrophobicContact CG-CD2 4.41Å; C1066-L1070 PolarHBondContact O-N 2.9Å; C1066-L1070 VanDerWaalsContact O-N 3.1Å; A1067-L1070 PolarHBondContact O-N 3.03Å; L1070-C1072 VanDerWaalsContact C-N 3.35Å; L1070-T1073 PolarHBondContact O-N 2.85Å; L1070-L1074 HydrophobicContact CD1-CG 4.44Å; L1070-L1074 WeakPolarHBondContact O-CG 3.22Å; L1070-L1074 PolarHBondContact O-N 3.18Å |
| 1071 | V | 84.2 | Confident | 80.1 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 171.8 | 162.7 | 0 | 0 | 0 | 0 | 111.6 | L1053 A1067 M1068 D1069 L1074 L1075 F1082 I1089 Y1103 | L1053-V1071 HydrophobicContact CD1-CG2 3.83Å; A1067-V1071 WeakPolarHBondContact O-CG2 3.45Å; A1067-V1071 PolarHBondContact O-N 2.97Å; M1068-V1071 PolarHBondContact O-N 3.41Å; D1069-V1071 VanDerWaalsContact C-N 3.29Å; D1069-V1071 PolarHBondContact O-N 3.03Å; V1071-L1074 PolarHBondContact O-N 3.48Å; V1071-L1075 VanDerWaalsContact O-CB 3.3Å; V1071-L1075 WeakPolarHBondContact O-CB 3.44Å; V1071-L1075 PolarHBondContact O-N 3.17Å; V1071-F1082 HydrophobicContact CG1-CZ 3.87Å; V1071-I1089 HydrophobicContact CG1-CD1 4.2Å; V1071-I1089 HydrophobicContact CG1-CG2 4.34Å; V1071-I1089 HydrophobicContact CG2-CD1 4.31Å; V1071-Y1103 HydrophobicContact CG1-CD2 3.63Å; V1071-Y1103 HydrophobicContact CG1-CE2 3.54Å |
| 1072 | C | 82.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.2 | -42 | 175 | -66.7 | 0 | 0 | 0 | 0 | 111.2 | M1068 D1069 L1070 L1075 I1076 L1106 | M1068-C1072 PolarHBondContact O-N 3.5Å; M1068-C1072 PolarHBondContact O-SG 3.44Å; D1069-C1072 WeakPolarHBondContact O-CA 3.45Å; D1069-C1072 WeakPolarHBondContact O-CB 3.43Å; D1069-C1072 PolarHBondContact O-N 3.3Å; L1070-C1072 VanDerWaalsContact C-N 3.35Å; C1072-L1075 PolarHBondContact O-N 3.32Å; C1072-I1076 WeakPolarHBondContact O-CG1 3.18Å; C1072-I1076 PolarHBondContact O-N 3.4Å; C1072-L1106 HydrophobicContact CB-CD1 3.88Å |
| 1073 | T | 78 | Confident | 80.3 | Confident | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.018 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 175.2 | -53.9 | 0 | 0 | 0 | 0 | 110.9 | D1034 D1069 L1070 L1075 I1076 H1077 Y1124 | D1034-T1073 VanDerWaalsContact OD1-CB 3.28Å; D1034-T1073 WeakPolarHBondContact OD1-CB 3.44Å; D1034-T1073 PolarHBondContact OD1-OG1 2.85Å; D1069-T1073 PolarHBondContact O-N 3.33Å; D1069-T1073 PolarHBondContact O-OG1 3.46Å; D1069-T1073 VanDerWaalsContact O-OG1 3.12Å; L1070-T1073 PolarHBondContact O-N 2.85Å; T1073-L1075 PolarHBondContact O-N 3.13Å; T1073-I1076 PolarHBondContact O-N 2.99Å; T1073-H1077 PolarHBondContact O-N 2.94Å; T1073-H1077 VanDerWaalsContact O-N 3.1Å; T1073-H1077 PolarHBondContact O-ND1 3.41Å; T1073-Y1124 HydrophobicContact CG2-CE2 3.89Å |
| 1074 | L | 78.9 | Confident | 80.2 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 175.1 | -72 | 173 | 0 | 0 | 0 | 112.3 | L1042 I1049 I1050 L1070 V1071 I1076 H1077 M1078 F1082 | L1042-L1074 HydrophobicContact CB-CD2 3.89Å; L1042-L1074 HydrophobicContact CD1-CD2 4.19Å; I1049-L1074 HydrophobicContact CB-CD1 4.42Å; I1049-L1074 HydrophobicContact CG2-CD1 3.85Å; I1050-L1074 HydrophobicContact CG1-CD1 4.1Å; L1070-L1074 HydrophobicContact CD1-CG 4.44Å; L1070-L1074 WeakPolarHBondContact O-CG 3.22Å; L1070-L1074 PolarHBondContact O-N 3.18Å; V1071-L1074 PolarHBondContact O-N 3.48Å; L1074-I1076 VanDerWaalsContact C-N 3.33Å; L1074-I1076 PolarHBondContact O-N 3Å; L1074-H1077 PolarHBondContact O-N 3.13Å; L1074-M1078 VanDerWaalsContact O-CB 3.23Å; L1074-M1078 WeakPolarHBondContact O-CB 3.35Å; L1074-M1078 VanDerWaalsContact O-CG 3.29Å; L1074-M1078 WeakPolarHBondContact O-CG 3.39Å; L1074-M1078 PolarHBondContact O-N 3.5Å; L1074-F1082 HydrophobicContact CB-CD2 4.31Å; L1074-F1082 HydrophobicContact CB-CE2 4.02Å |
| 1075 | L | 80.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.2 | -39 | 177.6 | 178.3 | 67 | 0 | 0 | 0 | 111.8 | V1071 C1072 T1073 G1079 F1082 Y1103 L1106 L1107 V1110 | V1071-L1075 VanDerWaalsContact O-CB 3.3Å; V1071-L1075 WeakPolarHBondContact O-CB 3.44Å; V1071-L1075 PolarHBondContact O-N 3.17Å; C1072-L1075 PolarHBondContact O-N 3.32Å; T1073-L1075 PolarHBondContact O-N 3.13Å; L1075-G1079 WeakPolarHBondContact O-CA 3.42Å; L1075-G1079 PolarHBondContact O-N 3.19Å; L1075-F1082 HydrophobicContact CB-CD1 4.33Å; L1075-F1082 HydrophobicContact CB-CE1 4.42Å; L1075-F1082 HydrophobicContact CB-CG 4.36Å; L1075-F1082 HydrophobicContact CD1-CB 3.94Å; L1075-F1082 HydrophobicContact CD1-CD1 3.37Å; L1075-F1082 HydrophobicContact CD1-CE1 3.99Å; L1075-F1082 HydrophobicContact CD1-CG 3.76Å; L1075-F1082 HydrophobicContact CG-CD1 4.4Å; L1075-Y1103 HydrophobicContact CD2-CD2 4.12Å; L1075-Y1103 HydrophobicContact CD2-CE2 4.28Å; L1075-L1106 HydrophobicContact CD2-CB 3.73Å; L1075-L1107 HydrophobicContact CD2-CB 4.01Å; L1075-V1110 HydrophobicContact CD1-CB 4.3Å; L1075-V1110 HydrophobicContact CD1-CG1 4.18Å; L1075-V1110 HydrophobicContact CD1-CG2 4.21Å; L1075-V1110 HydrophobicContact CG-CG2 4.13Å |
| 1076 | I | 77.9 | Confident | 80 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.015 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.6 | -49.4 | 174.5 | -67.2 | 165.1 | 0 | 0 | 0 | 110.6 | C1072 T1073 L1074 L1106 P1118 D1121 Y1124 | C1072-I1076 WeakPolarHBondContact O-CG1 3.18Å; C1072-I1076 PolarHBondContact O-N 3.4Å; T1073-I1076 PolarHBondContact O-N 2.99Å; L1074-I1076 VanDerWaalsContact C-N 3.33Å; L1074-I1076 PolarHBondContact O-N 3Å; I1076-L1106 HydrophobicContact CD1-CD1 3.96Å; I1076-L1106 HydrophobicContact CD1-CD2 4.39Å; I1076-L1106 HydrophobicContact CG1-CD1 4.07Å; I1076-L1106 HydrophobicContact CG1-CD2 4.17Å; I1076-P1118 HydrophobicContact CG2-CB 4.26Å; I1076-P1118 HydrophobicContact CG2-CG 4.04Å; I1076-D1121 HydrophobicContact CD1-CB 4.48Å; I1076-Y1124 HydrophobicContact CD1-CD2 4.32Å; I1076-Y1124 HydrophobicContact CD1-CG 4.34Å |
| 1077 | H | 76.1 | Confident | 80 | Confident | 49 Ų | 49 | 40.9 Ų | 40.9 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.9 | -37.1 | -175.4 | -69.1 | 90 | 0 | 0 | 0 | 113.7 | G1037 T1073 L1074 Y1124 | G1037-H1077 PolarHBondContact O-CE1 3.23Å; G1037-H1077 PolarHBondContact O-NE2 3.33Å; T1073-H1077 PolarHBondContact O-N 2.94Å; T1073-H1077 VanDerWaalsContact O-N 3.1Å; T1073-H1077 PolarHBondContact O-ND1 3.41Å; L1074-H1077 PolarHBondContact O-N 3.13Å; H1077-Y1124 AromaticContact CE1-CZ 3.97Å; H1077-Y1124 PolarHBondContact CE1-OH 3.47Å |
| 1078 | M | 75.7 | Confident | 79.9 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 6% | 0.059 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -85.8 | -26.6 | -178.7 | -64 | -174.6 | 72.6 | 0 | 0 | 113 | T1043 A1046 L1074 R1080 D1081 F1082 F1085 | T1043-M1078 HydrophobicContact CG2-CG 4.11Å; A1046-M1078 HydrophobicContact CB-CE 3.51Å; A1046-M1078 HydrophobicContact CB-SD 3.38Å; A1046-M1078 WeakPolarHBondContact CB-SD 3.41Å; L1074-M1078 VanDerWaalsContact O-CB 3.23Å; L1074-M1078 WeakPolarHBondContact O-CB 3.35Å; L1074-M1078 VanDerWaalsContact O-CG 3.29Å; L1074-M1078 WeakPolarHBondContact O-CG 3.39Å; L1074-M1078 PolarHBondContact O-N 3.5Å; M1078-R1080 PolarHBondContact O-N 3.32Å; M1078-D1081 HydrophobicContact CB-CB 4.41Å; M1078-D1081 HydrophobicContact CE-CB 4.31Å; M1078-D1081 WeakPolarHBondContact O-CB 3.47Å; M1078-D1081 PolarHBondContact O-N 2.94Å; M1078-D1081 VanDerWaalsContact O-N 3.11Å; M1078-F1082 HydrophobicContact CB-CB 3.99Å; M1078-F1082 HydrophobicContact SD-CD2 4.02Å; M1078-F1085 HydrophobicContact CE-CE2 3.98Å |
| 1079 | G | 77.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | 54.9 | -124.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1075 D1081 F1082 V1110 G1114 | L1075-G1079 WeakPolarHBondContact O-CA 3.42Å; L1075-G1079 PolarHBondContact O-N 3.19Å; G1079-D1081 PolarHBondContact O-N 3.27Å; G1079-F1082 VanDerWaalsContact O-CB 3.29Å; G1079-F1082 WeakPolarHBondContact O-CB 3.15Å; G1079-F1082 PolarHBondContact O-N 3.17Å; G1079-F1082 VanDerWaalsContact O-N 3.17Å; G1079-V1110 WeakPolarHBondContact O-CG1 3.38Å; G1079-G1114 CarbonylContact C-O 3.48Å; G1079-G1114 VanDerWaalsContact CA-O 3.3Å; G1079-G1114 WeakPolarHBondContact CA-O 3.32Å |
| 1080 | R | 76.1 | Confident | 79.8 | Confident | 149 Ų | 149 | 45.4 Ų | 45.4 | 56% | 0.562 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -59.7 | -28.7 | 178.5 | -68.8 | -168.5 | 170.6 | 174.5 | -1.2 | 114.1 | M1078 F1082 L1083 G1114 | M1078-R1080 PolarHBondContact O-N 3.32Å; R1080-F1082 PolarHBondContact O-N 2.9Å; R1080-F1082 VanDerWaalsContact O-N 3.14Å; R1080-L1083 HydrophobicContact CB-CD1 4.39Å; R1080-L1083 WeakPolarHBondContact O-CB 3.31Å; R1080-L1083 VanDerWaalsContact O-CG 3.32Å; R1080-L1083 WeakPolarHBondContact O-CG 3.45Å; R1080-L1083 PolarHBondContact O-N 3Å; R1080-L1083 VanDerWaalsContact O-N 3.11Å; R1080-G1114 PolarHBondContact N-O 3.18Å |
| 1081 | D | 74.8 | Confident | 79.7 | Confident | 104 Ų | 104 | 51.3 Ų | 51.3 | 56% | 0.556 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -69.1 | -12.1 | -178.6 | -59.2 | -31.7 | 0 | 0 | 0 | 112.3 | M1078 G1079 P1084 | M1078-D1081 HydrophobicContact CB-CB 4.41Å; M1078-D1081 HydrophobicContact CE-CB 4.31Å; M1078-D1081 WeakPolarHBondContact O-CB 3.47Å; M1078-D1081 PolarHBondContact O-N 2.94Å; M1078-D1081 VanDerWaalsContact O-N 3.11Å; G1079-D1081 PolarHBondContact O-N 3.27Å; D1081-P1084 WeakPolarHBondContact O-CD 3.4Å |
| 1082 | F | 81.7 | Confident | 79.6 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -78.7 | -23.6 | 174.1 | -168.5 | -94.6 | 0 | 0 | 0 | 113.7 | I1050 V1071 L1074 L1075 M1078 G1079 R1080 P1084 F1085 I1089 Y1103 | I1050-F1082 HydrophobicContact CD1-CD2 4.29Å; I1050-F1082 HydrophobicContact CD1-CE2 3.77Å; I1050-F1082 HydrophobicContact CD1-CZ 4.5Å; I1050-F1082 HydrophobicContact CG1-CE2 4.49Å; V1071-F1082 HydrophobicContact CG1-CZ 3.87Å; L1074-F1082 HydrophobicContact CB-CD2 4.31Å; L1074-F1082 HydrophobicContact CB-CE2 4.02Å; L1075-F1082 HydrophobicContact CB-CD1 4.33Å; L1075-F1082 HydrophobicContact CB-CE1 4.42Å; L1075-F1082 HydrophobicContact CB-CG 4.36Å; L1075-F1082 HydrophobicContact CD1-CB 3.94Å; L1075-F1082 HydrophobicContact CD1-CD1 3.37Å; L1075-F1082 HydrophobicContact CD1-CE1 3.99Å; L1075-F1082 HydrophobicContact CD1-CG 3.76Å; L1075-F1082 HydrophobicContact CG-CD1 4.4Å; M1078-F1082 HydrophobicContact CB-CB 3.99Å; M1078-F1082 HydrophobicContact SD-CD2 4.02Å; G1079-F1082 VanDerWaalsContact O-CB 3.29Å; G1079-F1082 WeakPolarHBondContact O-CB 3.15Å; G1079-F1082 PolarHBondContact O-N 3.17Å; G1079-F1082 VanDerWaalsContact O-N 3.17Å; R1080-F1082 PolarHBondContact O-N 2.9Å; R1080-F1082 VanDerWaalsContact O-N 3.14Å; F1082-P1084 VanDerWaalsContact C-N 3.34Å; F1082-F1085 WeakPolarHBondContact O-CB 3.37Å; F1082-F1085 PolarHBondContact O-N 3.17Å; F1082-I1089 HydrophobicContact CE1-CD1 3.88Å; F1082-I1089 HydrophobicContact CE2-CD1 4.08Å; F1082-I1089 HydrophobicContact CZ-CD1 3.24Å; F1082-Y1103 HydrophobicContact CE1-CE2 4.12Å |
| 1083 | L | 78.1 | Confident | 79.5 | Confident | 59 Ų | 59 | 52.3 Ų | 52.3 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55.4 | -34.3 | -171.9 | -66.9 | 173.7 | 0 | 0 | 0 | 115.3 | R1080 F1085 R1086 T1111 | R1080-L1083 HydrophobicContact CB-CD1 4.39Å; R1080-L1083 WeakPolarHBondContact O-CB 3.31Å; R1080-L1083 VanDerWaalsContact O-CG 3.32Å; R1080-L1083 WeakPolarHBondContact O-CG 3.45Å; R1080-L1083 PolarHBondContact O-N 3Å; R1080-L1083 VanDerWaalsContact O-N 3.11Å; L1083-F1085 PolarHBondContact O-N 2.97Å; L1083-R1086 WeakPolarHBondContact O-CB 3.49Å; L1083-R1086 PolarHBondContact O-N 2.91Å; L1083-T1111 HydrophobicContact CD2-CG2 3.87Å |
| 1084 | P | 79.9 | Confident | 79.6 | Confident | 94 Ų | 94 | 55.4 Ų | 55.4 | 61% | 0.61 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -58.6 | -34 | 174.5 | -25 | 35.6 | 0 | 0 | 0 | 113.3 | D1081 F1082 R1086 | D1081-P1084 WeakPolarHBondContact O-CD 3.4Å; F1082-P1084 VanDerWaalsContact C-N 3.34Å; P1084-R1086 VanDerWaalsContact C-N 3.35Å |
| 1085 | F | 82.1 | Confident | 79.7 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 20% | 0.197 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -80.3 | -16.6 | -178.7 | -56.5 | -73.8 | 0 | 0 | 0 | 113.3 | I1050 M1078 F1082 L1083 R1087 V1088 I1089 | I1050-F1085 HydrophobicContact CD1-CB 3.65Å; I1050-F1085 HydrophobicContact CD1-CD1 3.73Å; I1050-F1085 HydrophobicContact CD1-CD2 3.59Å; I1050-F1085 HydrophobicContact CD1-CE1 4.27Å; I1050-F1085 HydrophobicContact CD1-CE2 4.15Å; I1050-F1085 HydrophobicContact CD1-CG 3.35Å; I1050-F1085 HydrophobicContact CD1-CZ 4.46Å; I1050-F1085 HydrophobicContact CG2-CB 4.39Å; I1050-F1085 HydrophobicContact CG2-CD1 4.32Å; M1078-F1085 HydrophobicContact CE-CE2 3.98Å; F1082-F1085 WeakPolarHBondContact O-CB 3.37Å; F1082-F1085 PolarHBondContact O-N 3.17Å; L1083-F1085 PolarHBondContact O-N 2.97Å; F1085-R1087 VanDerWaalsContact C-N 3.25Å; F1085-R1087 PolarHBondContact O-N 3.01Å; F1085-V1088 PolarHBondContact O-N 2.92Å; F1085-I1089 HydrophobicContact CB-CD1 4.34Å; F1085-I1089 PolarHBondContact O-N 3.47Å |
| 1086 | R | 80.2 | Confident | 79.6 | Confident | 98 Ų | 98 | 64.7 Ų | 64.7 | 37% | 0.37 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -50.9 | -43.8 | 179.1 | 179.4 | -179.9 | 175.5 | 174.6 | 3.5 | 112.4 | L1083 P1084 V1088 I1089 D1090 L1107 | L1083-R1086 WeakPolarHBondContact O-CB 3.49Å; L1083-R1086 PolarHBondContact O-N 2.91Å; P1084-R1086 VanDerWaalsContact C-N 3.35Å; R1086-V1088 VanDerWaalsContact C-N 3.28Å; R1086-V1088 PolarHBondContact O-N 3.14Å; R1086-I1089 PolarHBondContact O-N 2.71Å; R1086-D1090 WeakPolarHBondContact CG-OD2 3.43Å; R1086-D1090 IonicContact CZ-OD2 3.83Å; R1086-D1090 IonicContact NE-OD2 2.88Å; R1086-D1090 PolarHBondContact NE-OD2 3.23Å; R1086-D1090 IonicContact NH2-OD2 3.19Å; R1086-D1090 VanDerWaalsContact O-CB 3.24Å; R1086-D1090 WeakPolarHBondContact O-CB 3.28Å; R1086-D1090 VanDerWaalsContact O-CG 3.26Å; R1086-D1090 PolarHBondContact O-N 2.86Å; R1086-L1107 HydrophobicContact CG-CD1 4.09Å |
| 1087 | R | 80.2 | Confident | 79.7 | Confident | 217 Ų | 217 | 72.7 Ų | 72.7 | 82% | 0.819 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.3 | -39.3 | -179.4 | -72.1 | -173.1 | 176.5 | -179.1 | -0.1 | 112.5 | F1085 H1091 | F1085-R1087 VanDerWaalsContact C-N 3.25Å; F1085-R1087 PolarHBondContact O-N 3.01Å; R1087-H1091 VanDerWaalsContact O-CB 3.25Å; R1087-H1091 WeakPolarHBondContact O-CB 3.45Å; R1087-H1091 PolarHBondContact O-N 3.07Å |
| 1088 | V | 82.2 | Confident | 79.7 | Confident | 61 Ų | 61 | 71.6 Ų | 71.6 | 37% | 0.37 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71.4 | -45.8 | -179.8 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | V1054 F1085 R1086 T1092 | V1054-V1088 HydrophobicContact CG2-CG1 4.03Å; F1085-V1088 PolarHBondContact O-N 2.92Å; R1086-V1088 VanDerWaalsContact C-N 3.28Å; R1086-V1088 PolarHBondContact O-N 3.14Å; V1088-T1092 PolarHBondContact O-N 3.2Å; V1088-T1092 VanDerWaalsContact O-N 3.07Å; V1088-T1092 PolarHBondContact O-OG1 3.42Å; V1088-T1092 VanDerWaalsContact O-OG1 3.07Å |
| 1089 | I | 82.9 | Confident | 79.9 | Confident | 4 Ų | 4 | 79.8 Ų | 79.8 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70.5 | -49 | -176.4 | -64.5 | 172.6 | 0 | 0 | 0 | 111.2 | I1050 V1071 F1082 F1085 R1086 H1091 T1092 V1093 Y1103 | I1050-I1089 HydrophobicContact CD1-CD1 4.47Å; I1050-I1089 HydrophobicContact CG1-CD1 4.45Å; I1050-I1089 HydrophobicContact CG2-CD1 3.91Å; I1050-I1089 HydrophobicContact CG2-CG1 4.01Å; V1071-I1089 HydrophobicContact CG1-CD1 4.2Å; V1071-I1089 HydrophobicContact CG1-CG2 4.34Å; V1071-I1089 HydrophobicContact CG2-CD1 4.31Å; F1082-I1089 HydrophobicContact CE1-CD1 3.88Å; F1082-I1089 HydrophobicContact CE2-CD1 4.08Å; F1082-I1089 HydrophobicContact CZ-CD1 3.24Å; F1085-I1089 HydrophobicContact CB-CD1 4.34Å; F1085-I1089 PolarHBondContact O-N 3.47Å; R1086-I1089 PolarHBondContact O-N 2.71Å; I1089-H1091 PolarHBondContact O-N 2.87Å; I1089-T1092 VanDerWaalsContact CA-OG1 3.29Å; I1089-T1092 WeakPolarHBondContact CA-OG1 3.04Å; I1089-T1092 CarbonylContact O-C 3.53Å; I1089-T1092 PolarHBondContact O-N 2.97Å; I1089-T1092 PolarHBondContact O-OG1 3.48Å; I1089-V1093 HydrophobicContact CG2-CG2 3.9Å; I1089-V1093 WeakPolarHBondContact O-CB 2.87Å; I1089-V1093 WeakPolarHBondContact O-CG2 3.49Å; I1089-V1093 PolarHBondContact O-N 3.17Å; I1089-Y1103 HydrophobicContact CG2-CE1 4.46Å; I1089-Y1103 HydrophobicContact CG2-CE2 4.27Å |
| 1090 | D | 81.7 | Confident | 80.1 | Confident | 49 Ų | 49 | 82.1 Ų | 82.1 | 26% | 0.262 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.8 | -38.6 | 178.3 | -70 | 0.8 | 0 | 0 | 0 | 110.6 | R1086 V1093 A1094 Y1103 | R1086-D1090 WeakPolarHBondContact CG-OD2 3.43Å; R1086-D1090 IonicContact CZ-OD2 3.83Å; R1086-D1090 IonicContact NE-OD2 2.88Å; R1086-D1090 PolarHBondContact NE-OD2 3.23Å; R1086-D1090 IonicContact NH2-OD2 3.19Å; R1086-D1090 VanDerWaalsContact O-CB 3.24Å; R1086-D1090 WeakPolarHBondContact O-CB 3.28Å; R1086-D1090 VanDerWaalsContact O-CG 3.26Å; R1086-D1090 PolarHBondContact O-N 2.86Å; D1090-V1093 PolarHBondContact O-N 2.92Å; D1090-A1094 VanDerWaalsContact O-CB 3.24Å; D1090-A1094 WeakPolarHBondContact O-CB 3.33Å; D1090-A1094 PolarHBondContact O-N 3.45Å; D1090-Y1103 WeakPolarHBondContact OD1-CE1 3.5Å; D1090-Y1103 PolarHBondContact OD1-OH 3.29Å |
| 1091 | H | 83.1 | Confident | 80.2 | Confident | 125 Ų | 125 | 78.6 Ų | 78.6 | 58% | 0.579 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.9 | -45.4 | 173.7 | -177.7 | -80.7 | 0 | 0 | 0 | 111.9 | R1087 I1089 R1095 | R1087-H1091 VanDerWaalsContact O-CB 3.25Å; R1087-H1091 WeakPolarHBondContact O-CB 3.45Å; R1087-H1091 PolarHBondContact O-N 3.07Å; I1089-H1091 PolarHBondContact O-N 2.87Å; H1091-R1095 WeakPolarHBondContact O-CB 3.19Å; H1091-R1095 PolarHBondContact O-N 3.35Å |
| 1092 | T | 80.7 | Confident | 80.4 | Confident | 6 Ų | 6 | 75 Ų | 75 | 4% | 0.037 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.8 | -36 | 177.1 | 45.4 | 0 | 0 | 0 | 0 | 113.6 | V1054 V1088 I1089 R1095 N1096 | V1054-T1092 HydrophobicContact CB-CG2 4.27Å; V1054-T1092 HydrophobicContact CG1-CG2 3.5Å; V1054-T1092 HydrophobicContact CG2-CG2 4.03Å; V1088-T1092 PolarHBondContact O-N 3.2Å; V1088-T1092 VanDerWaalsContact O-N 3.07Å; V1088-T1092 PolarHBondContact O-OG1 3.42Å; V1088-T1092 VanDerWaalsContact O-OG1 3.07Å; I1089-T1092 VanDerWaalsContact CA-OG1 3.29Å; I1089-T1092 WeakPolarHBondContact CA-OG1 3.04Å; I1089-T1092 CarbonylContact O-C 3.53Å; I1089-T1092 PolarHBondContact O-N 2.97Å; I1089-T1092 PolarHBondContact O-OG1 3.48Å; T1092-R1095 PolarHBondContact O-N 3.48Å; T1092-N1096 WeakPolarHBondContact O-CB 3.42Å; T1092-N1096 PolarHBondContact O-N 3.49Å; T1092-N1096 PolarHBondContact O-ND2 3.22Å |
| 1093 | V | 80.7 | Confident | 80.4 | Confident | 17 Ų | 17 | 75 Ų | 75 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 176.3 | 169 | 0 | 0 | 0 | 0 | 110.1 | M1057 M1068 I1089 D1090 H1097 I1098 | M1057-V1093 HydrophobicContact CE-CG2 4.16Å; M1068-V1093 HydrophobicContact CE-CG2 3.99Å; M1068-V1093 HydrophobicContact SD-CG2 3.82Å; I1089-V1093 HydrophobicContact CG2-CG2 3.9Å; I1089-V1093 WeakPolarHBondContact O-CB 2.87Å; I1089-V1093 WeakPolarHBondContact O-CG2 3.49Å; I1089-V1093 PolarHBondContact O-N 3.17Å; D1090-V1093 PolarHBondContact O-N 2.92Å; V1093-H1097 PolarHBondContact O-N 3.4Å; V1093-I1098 HydrophobicContact CG1-CB 4.19Å; V1093-I1098 WeakPolarHBondContact CG1-O 3.19Å; V1093-I1098 PolarHBondContact O-N 3.23Å |
| 1094 | A | 81.1 | Confident | 80.5 | Confident | 67 Ų | 67 | 75.5 Ų | 75.5 | 55% | 0.554 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.6 | -44.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1090 N1096 H1097 | D1090-A1094 VanDerWaalsContact O-CB 3.24Å; D1090-A1094 WeakPolarHBondContact O-CB 3.33Å; D1090-A1094 PolarHBondContact O-N 3.45Å; A1094-N1096 VanDerWaalsContact C-N 3.32Å; A1094-N1096 PolarHBondContact O-N 3.43Å; A1094-H1097 PolarHBondContact O-N 3.15Å |
| 1095 | R | 81.3 | Confident | 80.4 | Confident | 160 Ų | 160 | 73.7 Ų | 73.7 | 60% | 0.604 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.9 | -39.3 | 179.8 | -176.4 | -178.4 | -177.1 | -173.5 | 4 | 112.6 | D1058 H1091 T1092 | D1058-R1095 IonicContact OD2-NH1 3.04Å; D1058-R1095 PolarHBondContact OD2-NH1 3.29Å; H1091-R1095 WeakPolarHBondContact O-CB 3.19Å; H1091-R1095 PolarHBondContact O-N 3.35Å; T1092-R1095 PolarHBondContact O-N 3.48Å |
| 1096 | N | 78.1 | Confident | 80.1 | Confident | 39 Ų | 39 | 72 Ų | 72 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 8.5 | -178.1 | -65.4 | -37.2 | 0 | 0 | 0 | 113.7 | D1058 T1092 A1094 I1098 | D1058-N1096 PolarHBondContact OD1-ND2 2.9Å; T1092-N1096 WeakPolarHBondContact O-CB 3.42Å; T1092-N1096 PolarHBondContact O-N 3.49Å; T1092-N1096 PolarHBondContact O-ND2 3.22Å; A1094-N1096 VanDerWaalsContact C-N 3.32Å; A1094-N1096 PolarHBondContact O-N 3.43Å; N1096-I1098 VanDerWaalsContact C-N 3.32Å; N1096-I1098 HydrophobicContact CB-CD1 3.75Å; N1096-I1098 HydrophobicContact CB-CG1 3.88Å; N1096-I1098 PolarHBondContact O-N 3.49Å |
| 1097 | H | 79.9 | Confident | 79.9 | Confident | 171 Ų | 171 | 67.7 Ų | 67.7 | 79% | 0.792 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 41.7 | -177.9 | -58.5 | -64.6 | 0 | 0 | 0 | 114.5 | V1093 A1094 | V1093-H1097 PolarHBondContact O-N 3.4Å; A1094-H1097 PolarHBondContact O-N 3.15Å |
| 1098 | I | 75.3 | Confident | 79.8 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 13% | 0.128 | 31% | 0.311 | C | S | . | . | trans | -93 | 117.8 | -178.1 | -56.2 | 169.4 | 0 | 0 | 0 | 108.6 | M1057 H1064 M1068 V1093 N1096 | M1057-I1098 HydrophobicContact CE-CD1 3.32Å; H1064-I1098 HydrophobicContact CB-CD1 4.01Å; H1064-I1098 HydrophobicContact CB-CG1 4.47Å; H1064-I1098 VanDerWaalsContact CG-CD1 3.49Å; H1064-I1098 WeakPolarHBondContact ND1-CD1 3.11Å; H1064-I1098 WeakPolarHBondContact ND1-CG1 3.24Å; M1068-I1098 HydrophobicContact CG-CG2 4.11Å; V1093-I1098 HydrophobicContact CG1-CB 4.19Å; V1093-I1098 WeakPolarHBondContact CG1-O 3.19Å; V1093-I1098 PolarHBondContact O-N 3.23Å; N1096-I1098 VanDerWaalsContact C-N 3.32Å; N1096-I1098 HydrophobicContact CB-CD1 3.75Å; N1096-I1098 HydrophobicContact CB-CG1 3.88Å; N1096-I1098 PolarHBondContact O-N 3.49Å | ||
| 1099 | Y | 79.5 | Confident | 79.3 | Confident | 185 Ų | 185 | 63.4 Ų | 63.4 | 73% | 0.725 | 32% | 0.318 | S | S | * | . | trans | -106.3 | 107.7 | 169.6 | -176.5 | -103.3 | 0 | 0 | 0 | 109.1 | P1101 | Y1099-P1101 HydrophobicContact CD1-CG 4.15Å; Y1099-P1101 HydrophobicContact CE1-CG 3.79Å | ||
| 1100 | Y | 81.6 | Confident | 78.8 | Confident | 48 Ų | 48 | 63.2 Ų | 63.2 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | trans | -117.9 | 98.5 | 179.9 | -154.7 | -108.1 | 0 | 0 | 0 | 110.5 | M1068 D1069 R1102 Y1103 N1104 | M1068-Y1100 HydrophobicContact CB-CD1 3.93Å; M1068-Y1100 HydrophobicContact CB-CD2 4.24Å; M1068-Y1100 HydrophobicContact CB-CE1 4.23Å; M1068-Y1100 HydrophobicContact CB-CG 3.95Å; M1068-Y1100 HydrophobicContact CE-CD1 4.45Å; M1068-Y1100 HydrophobicContact CE-CG 4.42Å; M1068-Y1100 HydrophobicContact CG-CG 4.42Å; D1069-Y1100 PolarHBondContact OD1-OH 2.76Å; D1069-Y1100 PolarHBondContact OD2-OH 3.33Å; Y1100-R1102 HydrophobicContact CD1-CB 3.98Å; Y1100-R1102 HydrophobicContact CE1-CB 3.72Å; Y1100-R1102 HydrophobicContact CE1-CG 4.47Å; Y1100-R1102 PolarHBondContact O-N 3.01Å; Y1100-R1102 VanDerWaalsContact O-N 3.17Å; Y1100-Y1103 PolarHBondContact O-N 2.87Å; Y1100-Y1103 VanDerWaalsContact O-N 3.14Å; Y1100-N1104 PolarHBondContact O-N 2.96Å | ||
| 1101 | P | 78 | Confident | 78.5 | Confident | 75 Ų | 75 | 63.7 Ų | 63.7 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56 | -37.2 | -171.9 | -24.6 | 30.8 | 0 | 0 | 0 | 113.7 | Y1099 N1104 A1105 | Y1099-P1101 HydrophobicContact CD1-CG 4.15Å; Y1099-P1101 HydrophobicContact CE1-CG 3.79Å; P1101-N1104 PolarHBondContact O-N 3.47Å; P1101-A1105 WeakPolarHBondContact O-CB 2.94Å; P1101-A1105 PolarHBondContact O-N 3.38Å |
| 1102 | R | 79.7 | Confident | 77.9 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64 | -41 | -179 | -174.1 | 178.1 | -179.6 | -146.2 | -2.3 | 112.4 | D1069 Y1100 A1105 L1106 D1121 | D1069-R1102 IonicContact OD1-NH1 2.9Å; D1069-R1102 PolarHBondContact OD1-NH1 3.3Å; Y1100-R1102 HydrophobicContact CD1-CB 3.98Å; Y1100-R1102 HydrophobicContact CE1-CB 3.72Å; Y1100-R1102 HydrophobicContact CE1-CG 4.47Å; Y1100-R1102 PolarHBondContact O-N 3.01Å; Y1100-R1102 VanDerWaalsContact O-N 3.17Å; R1102-A1105 PolarHBondContact O-N 3.3Å; R1102-L1106 HydrophobicContact CG-CD1 3.86Å; R1102-L1106 HydrophobicContact CG-CG 4.45Å; R1102-L1106 WeakPolarHBondContact O-CB 3.27Å; R1102-L1106 VanDerWaalsContact O-CG 3.31Å; R1102-L1106 WeakPolarHBondContact O-CG 3.4Å; R1102-L1106 PolarHBondContact O-N 2.98Å; R1102-D1121 IonicContact CZ-OD2 3.6Å; R1102-D1121 IonicContact NE-OD2 3.43Å; R1102-D1121 PolarHBondContact NE-OD2 3.31Å; R1102-D1121 IonicContact NH2-OD2 2.85Å; R1102-D1121 PolarHBondContact NH2-OD2 2.63Å |
| 1103 | Y | 81.8 | Confident | 77.2 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 0% | 0.004 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 177.6 | 172.8 | -105.9 | 0 | 0 | 0 | 110.6 | M1068 V1071 L1075 F1082 I1089 D1090 Y1100 A1105 L1106 L1107 | M1068-Y1103 HydrophobicContact CE-CD1 3.87Å; M1068-Y1103 HydrophobicContact CE-CD2 4.09Å; M1068-Y1103 HydrophobicContact CE-CG 3.58Å; V1071-Y1103 HydrophobicContact CG1-CD2 3.63Å; V1071-Y1103 HydrophobicContact CG1-CE2 3.54Å; L1075-Y1103 HydrophobicContact CD2-CD2 4.12Å; L1075-Y1103 HydrophobicContact CD2-CE2 4.28Å; F1082-Y1103 HydrophobicContact CE1-CE2 4.12Å; I1089-Y1103 HydrophobicContact CG2-CE1 4.46Å; I1089-Y1103 HydrophobicContact CG2-CE2 4.27Å; D1090-Y1103 WeakPolarHBondContact OD1-CE1 3.5Å; D1090-Y1103 PolarHBondContact OD1-OH 3.29Å; Y1100-Y1103 PolarHBondContact O-N 2.87Å; Y1100-Y1103 VanDerWaalsContact O-N 3.14Å; Y1103-A1105 PolarHBondContact O-N 3.2Å; Y1103-L1106 PolarHBondContact O-N 2.81Å; Y1103-L1107 HydrophobicContact CE1-CD1 3.85Å; Y1103-L1107 HydrophobicContact CE2-CD1 3.76Å; Y1103-L1107 WeakPolarHBondContact O-CB 3.42Å; Y1103-L1107 PolarHBondContact O-N 2.87Å; Y1103-L1107 VanDerWaalsContact OH-CD1 3.26Å; Y1103-L1107 WeakPolarHBondContact OH-CD1 3.48Å |
| 1104 | N | 81 | Confident | 76.5 | Confident | 68 Ų | 68 | 68.8 Ų | 68.8 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 179.2 | -68.5 | -24.3 | 0 | 0 | 0 | 112 | Y1100 P1101 L1107 V1108 | Y1100-N1104 PolarHBondContact O-N 2.96Å; P1101-N1104 PolarHBondContact O-N 3.47Å; N1104-L1107 PolarHBondContact O-N 2.74Å; N1104-V1108 WeakPolarHBondContact O-CG2 3.11Å; N1104-V1108 PolarHBondContact O-N 3.32Å |
| 1105 | A | 78.1 | Confident | 75.6 | Confident | 57 Ų | 57 | 72.4 Ų | 72.4 | 47% | 0.471 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1101 R1102 Y1103 L1107 K1109 | P1101-A1105 WeakPolarHBondContact O-CB 2.94Å; P1101-A1105 PolarHBondContact O-N 3.38Å; R1102-A1105 PolarHBondContact O-N 3.3Å; Y1103-A1105 PolarHBondContact O-N 3.2Å; A1105-L1107 VanDerWaalsContact C-N 3.32Å; A1105-K1109 WeakPolarHBondContact O-CG 3.49Å; A1105-K1109 PolarHBondContact O-N 2.94Å; A1105-K1109 VanDerWaalsContact O-N 3.1Å |
| 1106 | L | 74.5 | Confident | 74.9 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.4 | -36.7 | 176.3 | -73.9 | 170.9 | 0 | 0 | 0 | 111.5 | C1072 L1075 I1076 R1102 Y1103 K1109 V1110 | C1072-L1106 HydrophobicContact CB-CD1 3.88Å; L1075-L1106 HydrophobicContact CD2-CB 3.73Å; I1076-L1106 HydrophobicContact CD1-CD1 3.96Å; I1076-L1106 HydrophobicContact CD1-CD2 4.39Å; I1076-L1106 HydrophobicContact CG1-CD1 4.07Å; I1076-L1106 HydrophobicContact CG1-CD2 4.17Å; R1102-L1106 HydrophobicContact CG-CD1 3.86Å; R1102-L1106 HydrophobicContact CG-CG 4.45Å; R1102-L1106 WeakPolarHBondContact O-CB 3.27Å; R1102-L1106 VanDerWaalsContact O-CG 3.31Å; R1102-L1106 WeakPolarHBondContact O-CG 3.4Å; R1102-L1106 PolarHBondContact O-N 2.98Å; Y1103-L1106 PolarHBondContact O-N 2.81Å; L1106-K1109 PolarHBondContact O-N 3.2Å; L1106-V1110 WeakPolarHBondContact O-CB 3.36Å; L1106-V1110 VanDerWaalsContact O-CG2 3.25Å; L1106-V1110 WeakPolarHBondContact O-CG2 3.43Å; L1106-V1110 PolarHBondContact O-N 2.98Å |
| 1107 | L | 76.7 | Confident | 74.3 | Confident | 8 Ų | 8 | 67.8 Ų | 67.8 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.4 | -41.2 | -178.9 | -164 | 139.9 | 0 | 0 | 0 | 111.3 | L1075 R1086 Y1103 N1104 A1105 V1110 T1111 | L1075-L1107 HydrophobicContact CD2-CB 4.01Å; R1086-L1107 HydrophobicContact CG-CD1 4.09Å; Y1103-L1107 HydrophobicContact CE1-CD1 3.85Å; Y1103-L1107 HydrophobicContact CE2-CD1 3.76Å; Y1103-L1107 WeakPolarHBondContact O-CB 3.42Å; Y1103-L1107 PolarHBondContact O-N 2.87Å; Y1103-L1107 VanDerWaalsContact OH-CD1 3.26Å; Y1103-L1107 WeakPolarHBondContact OH-CD1 3.48Å; N1104-L1107 PolarHBondContact O-N 2.74Å; A1105-L1107 VanDerWaalsContact C-N 3.32Å; L1107-V1110 PolarHBondContact O-N 3.23Å; L1107-T1111 PolarHBondContact O-N 3.2Å; L1107-T1111 PolarHBondContact O-OG1 3.22Å |
| 1108 | V | 78.1 | Confident | 73.4 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 44% | 0.442 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.5 | -50.9 | 171.1 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | N1104 V1110 T1111 E1112 | N1104-V1108 WeakPolarHBondContact O-CG2 3.11Å; N1104-V1108 PolarHBondContact O-N 3.32Å; V1108-V1110 VanDerWaalsContact C-N 3.34Å; V1108-V1110 PolarHBondContact O-N 3.3Å; V1108-T1111 WeakPolarHBondContact CA-OG1 3.49Å; V1108-T1111 PolarHBondContact O-N 3.24Å; V1108-T1111 PolarHBondContact O-OG1 3.43Å; V1108-E1112 WeakPolarHBondContact O-CG 3.4Å; V1108-E1112 PolarHBondContact O-N 3.48Å |
| 1109 | K | 71.3 | Confident | 72.8 | Confident | 116 Ų | 116 | 65.6 Ų | 65.6 | 50% | 0.504 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.5 | -40.6 | 178 | -77.4 | -174.6 | 175.6 | -172.5 | 0 | 113.2 | A1105 L1106 E1112 V1113 V1116 | A1105-K1109 WeakPolarHBondContact O-CG 3.49Å; A1105-K1109 PolarHBondContact O-N 2.94Å; A1105-K1109 VanDerWaalsContact O-N 3.1Å; L1106-K1109 PolarHBondContact O-N 3.2Å; K1109-E1112 PolarHBondContact O-N 3.48Å; K1109-V1113 WeakPolarHBondContact O-CB 3.42Å; K1109-V1113 WeakPolarHBondContact O-CG2 3.44Å; K1109-V1113 PolarHBondContact O-N 3.26Å; K1109-V1116 HydrophobicContact CB-CG2 4.16Å |
| 1110 | V | 72.7 | Confident | 71.8 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.2 | -38.1 | 179 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | L1075 G1079 L1106 L1107 V1108 E1112 G1114 V1116 | L1075-V1110 HydrophobicContact CD1-CB 4.3Å; L1075-V1110 HydrophobicContact CD1-CG1 4.18Å; L1075-V1110 HydrophobicContact CD1-CG2 4.21Å; L1075-V1110 HydrophobicContact CG-CG2 4.13Å; G1079-V1110 WeakPolarHBondContact O-CG1 3.38Å; L1106-V1110 WeakPolarHBondContact O-CB 3.36Å; L1106-V1110 VanDerWaalsContact O-CG2 3.25Å; L1106-V1110 WeakPolarHBondContact O-CG2 3.43Å; L1106-V1110 PolarHBondContact O-N 2.98Å; L1107-V1110 PolarHBondContact O-N 3.23Å; V1108-V1110 VanDerWaalsContact C-N 3.34Å; V1108-V1110 PolarHBondContact O-N 3.3Å; V1110-E1112 VanDerWaalsContact C-N 3.3Å; V1110-E1112 PolarHBondContact O-N 3.39Å; V1110-G1114 VanDerWaalsContact O-CA 3.22Å; V1110-G1114 WeakPolarHBondContact O-CA 3.38Å; V1110-G1114 PolarHBondContact O-N 3.18Å; V1110-V1116 HydrophobicContact CG2-CB 4.45Å; V1110-V1116 HydrophobicContact CG2-CG2 3.58Å |
| 1111 | T | 74.6 | Confident | 71 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 36% | 0.362 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.8 | -35.6 | 172.8 | 28.9 | 0 | 0 | 0 | 0 | 112.8 | L1083 L1107 V1108 | L1083-T1111 HydrophobicContact CD2-CG2 3.87Å; L1107-T1111 PolarHBondContact O-N 3.2Å; L1107-T1111 PolarHBondContact O-OG1 3.22Å; V1108-T1111 WeakPolarHBondContact CA-OG1 3.49Å; V1108-T1111 PolarHBondContact O-N 3.24Å; V1108-T1111 PolarHBondContact O-OG1 3.43Å |
| 1112 | E | 72 | Confident | 70.3 | Confident | 141 Ų | 141 | 63.3 Ų | 63.3 | 66% | 0.659 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -77.9 | -48.2 | -179.8 | -70.4 | 175 | 177 | 0 | 0 | 112.6 | V1108 K1109 V1110 | V1108-E1112 WeakPolarHBondContact O-CG 3.4Å; V1108-E1112 PolarHBondContact O-N 3.48Å; K1109-E1112 PolarHBondContact O-N 3.48Å; V1110-E1112 VanDerWaalsContact C-N 3.3Å; V1110-E1112 PolarHBondContact O-N 3.39Å |
| 1113 | V | 65.7 | Low | 69.5 | Low | 107 Ų | 107 | 65.1 Ų | 65.1 | 65% | 0.648 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -104.3 | -17.5 | -167.5 | -170.6 | 0 | 0 | 0 | 0 | 113.2 | K1109 K1115 | K1109-V1113 WeakPolarHBondContact O-CB 3.42Å; K1109-V1113 WeakPolarHBondContact O-CG2 3.44Å; K1109-V1113 PolarHBondContact O-N 3.26Å; V1113-K1115 PolarHBondContact O-N 2.93Å |
| 1114 | G | 65.1 | Low | 68.8 | Low | 7 Ų | 7 | 66.1 Ų | 66.1 | 7% | 0.072 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 89.8 | -59 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | G1079 R1080 V1110 | G1079-G1114 CarbonylContact C-O 3.48Å; G1079-G1114 VanDerWaalsContact CA-O 3.3Å; G1079-G1114 WeakPolarHBondContact CA-O 3.32Å; R1080-G1114 PolarHBondContact N-O 3.18Å; V1110-G1114 VanDerWaalsContact O-CA 3.22Å; V1110-G1114 WeakPolarHBondContact O-CA 3.38Å; V1110-G1114 PolarHBondContact O-N 3.18Å |
| 1115 | K | 63.2 | Low | 68.1 | Low | 143 Ų | 143 | 68.4 Ų | 68.4 | 62% | 0.622 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -128 | 125.2 | 170.9 | -92.1 | -175.3 | 174 | -179.2 | 0 | 108.7 | V1113 | V1113-K1115 PolarHBondContact O-N 2.93Š|
| 1116 | V | 66.7 | Low | 67.4 | Low | 16 Ų | 16 | 68.2 Ų | 68.2 | 10% | 0.097 | 37% | 0.366 | C | S | . | . | trans | -88.9 | 127.1 | 176.5 | 175.9 | 0 | 0 | 0 | 0 | 107.8 | K1109 V1110 | K1109-V1116 HydrophobicContact CB-CG2 4.16Å; V1110-V1116 HydrophobicContact CG2-CB 4.45Å; V1110-V1116 HydrophobicContact CG2-CG2 3.58Å | ||
| 1117 | N | 64.4 | Low | 67 | Low | 85 Ų | 85 | 70.8 Ų | 70.8 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | trans | -68.7 | 126.2 | 176.7 | -162.4 | 6 | 0 | 0 | 0 | 108.9 | D1119 E1120 | N1117-D1119 PolarHBondContact O-N 3.37Å; N1117-D1119 VanDerWaalsContact O-N 3.08Å; N1117-E1120 HydrophobicContact CB-CG 4.19Å; N1117-E1120 PolarHBondContact O-N 3.49Å | ||
| 1118 | P | 61.8 | Low | 66.4 | Low | 41 Ų | 41 | 71.3 Ų | 71.3 | 27% | 0.266 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -56.1 | -29.2 | -176.6 | -27 | 35.6 | 0 | 0 | 0 | 113.8 | I1076 E1120 Y1124 | I1076-P1118 HydrophobicContact CG2-CB 4.26Å; I1076-P1118 HydrophobicContact CG2-CG 4.04Å; P1118-E1120 VanDerWaalsContact C-N 3.29Å; P1118-E1120 PolarHBondContact O-N 3.09Å; P1118-Y1124 HydrophobicContact CB-CD1 4.15Å; P1118-Y1124 HydrophobicContact CB-CE1 3.93Å |
| 1119 | D | 61.6 | Low | 65.7 | Low | 110 Ų | 110 | 71.1 Ų | 71.1 | 59% | 0.588 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -72 | -17 | 179.7 | -73.5 | -42.1 | 0 | 0 | 0 | 114.5 | N1117 | N1117-D1119 PolarHBondContact O-N 3.37Å; N1117-D1119 VanDerWaalsContact O-N 3.08Å |
| 1120 | E | 59.2 | Low | 65.4 | Low | 149 Ų | 149 | 70.7 Ų | 70.7 | 70% | 0.696 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -88.8 | -17.6 | -179.5 | -69 | -175.9 | 176.2 | 0 | 0 | 113.4 | N1117 P1118 S1122 | N1117-E1120 HydrophobicContact CB-CG 4.19Å; N1117-E1120 PolarHBondContact O-N 3.49Å; P1118-E1120 VanDerWaalsContact C-N 3.29Å; P1118-E1120 PolarHBondContact O-N 3.09Å; E1120-S1122 PolarHBondContact O-N 3.34Å |
| 1121 | D | 63.9 | Low | 65.1 | Low | 17 Ų | 17 | 73.9 Ų | 73.9 | 9% | 0.091 | 39% | 0.391 | C | S | . | . | trans | -83.7 | 97.9 | 172.9 | -176.6 | 13.7 | 0 | 0 | 0 | 109.9 | I1076 R1102 T1123 Y1124 K1125 | I1076-D1121 HydrophobicContact CD1-CB 4.48Å; R1102-D1121 IonicContact CZ-OD2 3.6Å; R1102-D1121 IonicContact NE-OD2 3.43Å; R1102-D1121 PolarHBondContact NE-OD2 3.31Å; R1102-D1121 IonicContact NH2-OD2 2.85Å; R1102-D1121 PolarHBondContact NH2-OD2 2.63Å; D1121-T1123 PolarHBondContact O-N 3.36Å; D1121-T1123 VanDerWaalsContact O-N 3.14Å; D1121-T1123 PolarHBondContact OD1-N 3.09Å; D1121-T1123 PolarHBondContact OD1-OG1 3.31Å; D1121-Y1124 PolarHBondContact O-N 3.5Å; D1121-Y1124 WeakPolarHBondContact OD2-CB 3.47Å; D1121-Y1124 PolarHBondContact OD2-N 2.9Å; D1121-K1125 PolarHBondContact O-N 3.26Å | ||
| 1122 | S | 63.6 | Low | 64.5 | Low | 93 Ų | 93 | 78.7 Ų | 78.7 | 65% | 0.65 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -54.5 | -33 | 178 | 59.9 | 0 | 0 | 0 | 0 | 112.7 | E1120 A1126 | E1120-S1122 PolarHBondContact O-N 3.34Å; S1122-A1126 WeakPolarHBondContact O-CB 3.37Å; S1122-A1126 PolarHBondContact O-N 2.97Å |
| 1123 | T | 64 | Low | 64 | Low | 68 Ų | 68 | 77.6 Ų | 77.6 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -73.9 | -35.7 | 177.7 | 8.8 | 0 | 0 | 0 | 0 | 113.4 | D1121 K1127 | D1121-T1123 PolarHBondContact O-N 3.36Å; D1121-T1123 VanDerWaalsContact O-N 3.14Å; D1121-T1123 PolarHBondContact OD1-N 3.09Å; D1121-T1123 PolarHBondContact OD1-OG1 3.31Å; T1123-K1127 WeakPolarHBondContact O-CG 3.45Å; T1123-K1127 PolarHBondContact O-N 3.47Å |
| 1124 | Y | 67.3 | Low | 63.8 | Low | 23 Ų | 23 | 78.6 Ų | 78.6 | 9% | 0.09 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.2 | -50.2 | 172.9 | -178.4 | -108.5 | 0 | 0 | 0 | 110 | T1073 I1076 H1077 P1118 D1121 A1126 K1127 V1128 | T1073-Y1124 HydrophobicContact CG2-CE2 3.89Å; I1076-Y1124 HydrophobicContact CD1-CD2 4.32Å; I1076-Y1124 HydrophobicContact CD1-CG 4.34Å; H1077-Y1124 AromaticContact CE1-CZ 3.97Å; H1077-Y1124 PolarHBondContact CE1-OH 3.47Å; P1118-Y1124 HydrophobicContact CB-CD1 4.15Å; P1118-Y1124 HydrophobicContact CB-CE1 3.93Å; D1121-Y1124 PolarHBondContact O-N 3.5Å; D1121-Y1124 WeakPolarHBondContact OD2-CB 3.47Å; D1121-Y1124 PolarHBondContact OD2-N 2.9Å; Y1124-A1126 PolarHBondContact O-N 3.36Å; Y1124-K1127 PolarHBondContact O-N 3.23Å; Y1124-V1128 HydrophobicContact CD1-CG2 4.32Å; Y1124-V1128 HydrophobicContact CD2-CG2 4.46Å; Y1124-V1128 HydrophobicContact CE1-CG2 4.02Å; Y1124-V1128 HydrophobicContact CE2-CG2 4.16Å; Y1124-V1128 WeakPolarHBondContact O-CG2 3.33Å; Y1124-V1128 PolarHBondContact O-N 3.44Å |
| 1125 | K | 64.7 | Low | 63.3 | Low | 115 Ų | 115 | 81.3 Ų | 81.3 | 50% | 0.5 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.6 | -48.8 | 178.9 | -167.6 | 170.9 | -175.5 | 167.4 | 0 | 111.8 | D1121 K1127 V1128 T1129 | D1121-K1125 PolarHBondContact O-N 3.26Å; K1125-K1127 PolarHBondContact O-N 2.96Å; K1125-V1128 PolarHBondContact O-N 2.98Å; K1125-T1129 PolarHBondContact O-N 3.01Å; K1125-T1129 PolarHBondContact O-OG1 3.42Å |
| 1126 | A | 65 | Low | 62.9 | Low | 53 Ų | 53 | 76.8 Ų | 76.8 | 44% | 0.438 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.3 | -45.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1122 Y1124 T1129 E1130 | S1122-A1126 WeakPolarHBondContact O-CB 3.37Å; S1122-A1126 PolarHBondContact O-N 2.97Å; Y1124-A1126 PolarHBondContact O-N 3.36Å; A1126-T1129 WeakPolarHBondContact CA-OG1 3.22Å; A1126-T1129 PolarHBondContact O-N 3.28Å; A1126-T1129 PolarHBondContact O-OG1 3.43Å; A1126-E1130 WeakPolarHBondContact O-CB 3.3Å; A1126-E1130 PolarHBondContact O-N 3.23Å |
| 1127 | K | 65.5 | Low | 62.3 | Low | 62 Ų | 62 | 82.7 Ų | 82.7 | 27% | 0.27 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 177.3 | -77.8 | -173.3 | 178.1 | -174.1 | 0 | 112.6 | D1069 T1123 Y1124 K1125 E1130 R1131 | D1069-K1127 IonicContact OD1-NZ 2.61Å; D1069-K1127 PolarHBondContact OD1-NZ 3.25Å; D1069-K1127 IonicContact OD2-NZ 3.93Å; D1069-K1127 PolarHBondContact OD2-NZ 3.26Å; T1123-K1127 WeakPolarHBondContact O-CG 3.45Å; T1123-K1127 PolarHBondContact O-N 3.47Å; Y1124-K1127 PolarHBondContact O-N 3.23Å; K1125-K1127 PolarHBondContact O-N 2.96Å; K1127-E1130 PolarHBondContact O-N 3.39Å; K1127-R1131 WeakPolarHBondContact O-CB 3.35Å; K1127-R1131 VanDerWaalsContact O-CG 3.28Å; K1127-R1131 WeakPolarHBondContact O-CG 3.33Å; K1127-R1131 PolarHBondContact O-N 3.49Å |
| 1128 | V | 64.5 | Low | 61.7 | Low | 19 Ų | 19 | 84 Ų | 84 | 12% | 0.115 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 176.4 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | E1038 Y1124 K1125 R1132 | E1038-V1128 HydrophobicContact CG-CG2 4.23Å; Y1124-V1128 HydrophobicContact CD1-CG2 4.32Å; Y1124-V1128 HydrophobicContact CD2-CG2 4.46Å; Y1124-V1128 HydrophobicContact CE1-CG2 4.02Å; Y1124-V1128 HydrophobicContact CE2-CG2 4.16Å; Y1124-V1128 WeakPolarHBondContact O-CG2 3.33Å; Y1124-V1128 PolarHBondContact O-N 3.44Å; K1125-V1128 PolarHBondContact O-N 2.98Å; V1128-R1132 WeakPolarHBondContact O-CB 3.18Å; V1128-R1132 VanDerWaalsContact O-CG 3.3Å; V1128-R1132 WeakPolarHBondContact O-CG 3.49Å; V1128-R1132 PolarHBondContact O-N 3.17Å |
| 1129 | T | 63.1 | Low | 61.1 | Low | 69 Ų | 69 | 87.5 Ų | 87.5 | 42% | 0.423 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 174.2 | 23.5 | 0 | 0 | 0 | 0 | 112.5 | K1125 A1126 R1131 R1132 E1133 | K1125-T1129 PolarHBondContact O-N 3.01Å; K1125-T1129 PolarHBondContact O-OG1 3.42Å; A1126-T1129 WeakPolarHBondContact CA-OG1 3.22Å; A1126-T1129 PolarHBondContact O-N 3.28Å; A1126-T1129 PolarHBondContact O-OG1 3.43Å; T1129-R1131 VanDerWaalsContact C-N 3.33Å; T1129-R1131 PolarHBondContact O-N 3.25Å; T1129-R1132 PolarHBondContact O-N 3.17Å; T1129-E1133 WeakPolarHBondContact O-CB 3.48Å; T1129-E1133 WeakPolarHBondContact O-CG 3.45Å; T1129-E1133 PolarHBondContact O-N 3.08Å |
| 1130 | E | 65.7 | Low | 60.5 | Low | 108 Ų | 108 | 88.6 Ų | 88.6 | 51% | 0.505 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 179.9 | -168.8 | -168.1 | 160.2 | 0 | 0 | 111.5 | A1126 K1127 E1133 K1134 | A1126-E1130 WeakPolarHBondContact O-CB 3.3Å; A1126-E1130 PolarHBondContact O-N 3.23Å; K1127-E1130 PolarHBondContact O-N 3.39Å; E1130-E1133 PolarHBondContact O-N 3.29Å; E1130-K1134 WeakPolarHBondContact O-CB 3.35Å; E1130-K1134 PolarHBondContact O-N 2.83Å; E1130-K1134 IonicContact OE1-NZ 3.72Å |
| 1131 | R | 65 | Low | 59.8 | Low | 66 Ų | 66 | 87.5 Ų | 87.5 | 25% | 0.249 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 175.1 | -76 | 176.6 | 179.7 | 170.6 | -0.7 | 111.9 | D1034 E1038 K1127 T1129 E1133 K1134 L1135 | D1034-R1131 IonicContact OD2-CZ 2.7Å; D1034-R1131 VanDerWaalsContact OD2-CZ 3.25Å; D1034-R1131 IonicContact OD2-NH1 3.92Å; D1034-R1131 PolarHBondContact OD2-NH1 3.39Å; D1034-R1131 IonicContact OD2-NH2 3.02Å; D1034-R1131 PolarHBondContact OD2-NH2 3.4Å; E1038-R1131 IonicContact OE1-NH1 2.88Å; E1038-R1131 PolarHBondContact OE1-NH1 3.5Å; E1038-R1131 VanDerWaalsContact OE1-NH1 3.12Å; K1127-R1131 WeakPolarHBondContact O-CB 3.35Å; K1127-R1131 VanDerWaalsContact O-CG 3.28Å; K1127-R1131 WeakPolarHBondContact O-CG 3.33Å; K1127-R1131 PolarHBondContact O-N 3.49Å; T1129-R1131 VanDerWaalsContact C-N 3.33Å; T1129-R1131 PolarHBondContact O-N 3.25Å; R1131-E1133 VanDerWaalsContact C-N 3.33Å; R1131-E1133 PolarHBondContact O-N 3.07Å; R1131-K1134 PolarHBondContact O-N 3.19Å; R1131-L1135 WeakPolarHBondContact O-CB 3.2Å; R1131-L1135 VanDerWaalsContact O-CG 3.31Å; R1131-L1135 WeakPolarHBondContact O-CG 3.16Å; R1131-L1135 PolarHBondContact O-N 3.45Å |
| 1132 | R | 63.4 | Low | 59 | Low | 160 Ų | 160 | 90.2 Ų | 90.2 | 60% | 0.604 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.8 | -36.9 | 175.8 | -73.5 | 179.8 | -178.6 | -172.4 | 0.6 | 112.2 | V1128 T1129 A1136 | V1128-R1132 WeakPolarHBondContact O-CB 3.18Å; V1128-R1132 VanDerWaalsContact O-CG 3.3Å; V1128-R1132 WeakPolarHBondContact O-CG 3.49Å; V1128-R1132 PolarHBondContact O-N 3.17Å; T1129-R1132 PolarHBondContact O-N 3.17Å; R1132-A1136 VanDerWaalsContact O-CB 3.31Å; R1132-A1136 WeakPolarHBondContact O-CB 3.41Å; R1132-A1136 PolarHBondContact O-N 2.9Å |
| 1133 | E | 60.8 | Low | 58.1 | Low | 119 Ų | 119 | 93.1 Ų | 93.1 | 56% | 0.556 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -70.6 | -38.9 | 175.5 | -77.1 | -178.9 | -177.9 | 0 | 0 | 113 | T1129 E1130 R1131 A1136 K1137 | T1129-E1133 WeakPolarHBondContact O-CB 3.48Å; T1129-E1133 WeakPolarHBondContact O-CG 3.45Å; T1129-E1133 PolarHBondContact O-N 3.08Å; E1130-E1133 PolarHBondContact O-N 3.29Å; R1131-E1133 VanDerWaalsContact C-N 3.33Å; R1131-E1133 PolarHBondContact O-N 3.07Å; E1133-A1136 PolarHBondContact O-N 3.42Å; E1133-K1137 WeakPolarHBondContact O-CB 3.33Å; E1133-K1137 WeakPolarHBondContact O-CG 3.38Å; E1133-K1137 PolarHBondContact O-N 3.44Å |
| 1134 | K | 61.1 | Low | 57.5 | Low | 128 Ų | 128 | 93.8 Ų | 93.8 | 56% | 0.557 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.6 | -47.1 | 171.8 | -98.1 | 177.9 | 174 | 163.1 | 0 | 111.6 | E1130 R1131 A1136 K1137 D1138 | E1130-K1134 WeakPolarHBondContact O-CB 3.35Å; E1130-K1134 PolarHBondContact O-N 2.83Å; E1130-K1134 IonicContact OE1-NZ 3.72Å; R1131-K1134 PolarHBondContact O-N 3.19Å; K1134-A1136 VanDerWaalsContact C-N 3.27Å; K1134-A1136 PolarHBondContact O-N 3.2Å; K1134-K1137 PolarHBondContact O-N 2.86Å; K1134-D1138 PolarHBondContact O-N 3.24Å |
| 1135 | L | 55.7 | Low | 56.5 | Low | 64 Ų | 64 | 99.3 Ų | 99.3 | 34% | 0.335 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.9 | -34.8 | 175.4 | -73.8 | 166.8 | 0 | 0 | 0 | 112.2 | V996 R1131 Q1139 | V996-L1135 HydrophobicContact CG2-CD2 3.86Å; R1131-L1135 WeakPolarHBondContact O-CB 3.2Å; R1131-L1135 VanDerWaalsContact O-CG 3.31Å; R1131-L1135 WeakPolarHBondContact O-CG 3.16Å; R1131-L1135 PolarHBondContact O-N 3.45Å; L1135-Q1139 WeakPolarHBondContact O-CG 3.25Å; L1135-Q1139 PolarHBondContact O-N 3.26Å |
| 1136 | A | 54 | Low | 56 | Low | 48 Ų | 48 | 96.7 Ų | 96.7 | 40% | 0.397 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74.9 | -32.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1132 E1133 K1134 | R1132-A1136 VanDerWaalsContact O-CB 3.31Å; R1132-A1136 WeakPolarHBondContact O-CB 3.41Å; R1132-A1136 PolarHBondContact O-N 2.9Å; E1133-A1136 PolarHBondContact O-N 3.42Å; K1134-A1136 VanDerWaalsContact C-N 3.27Å; K1134-A1136 PolarHBondContact O-N 3.2Å |
| 1137 | K | 54.9 | Low | 55.3 | Low | 140 Ų | 140 | 102.9 Ų | 102.9 | 61% | 0.609 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -73.9 | -38.8 | 176.4 | -82.1 | 179.7 | 178 | 173.7 | 0 | 112.6 | E1133 K1134 Q1139 Q1140 | E1133-K1137 WeakPolarHBondContact O-CB 3.33Å; E1133-K1137 WeakPolarHBondContact O-CG 3.38Å; E1133-K1137 PolarHBondContact O-N 3.44Å; K1134-K1137 PolarHBondContact O-N 2.86Å; K1137-Q1139 PolarHBondContact O-N 3.05Å; K1137-Q1140 PolarHBondContact O-N 3.43Å |
| 1138 | D | 50 | Low | 54.7 | Low | 111 Ų | 111 | 109.2 Ų | 109.2 | 59% | 0.594 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.7 | -25.7 | 175.3 | -72 | -21.8 | 0 | 0 | 0 | 111.6 | K1134 Q1140 | K1134-D1138 PolarHBondContact O-N 3.24Å; D1138-Q1140 VanDerWaalsContact C-N 3.33Å |
| 1139 | Q | 50 | Low | 54.4 | Low | 116 Ų | 116 | 111 Ų | 111 | 54% | 0.542 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -13.8 | 171.2 | -74.8 | 176.5 | -5.2 | 0 | 0 | 114.5 | L1135 K1137 | L1135-Q1139 WeakPolarHBondContact O-CG 3.25Å; L1135-Q1139 PolarHBondContact O-N 3.26Å; K1137-Q1139 PolarHBondContact O-N 3.05Å |
| 1140 | Q | 48.1 | Very low | 54.2 | Low | 132 Ų | 132 | 113.9 Ų | 113.9 | 62% | 0.617 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 2.2 | 177.2 | -77.2 | -175.5 | -13.7 | 0 | 0 | 113.8 | K1137 D1138 I1142 | K1137-Q1140 PolarHBondContact O-N 3.43Å; D1138-Q1140 VanDerWaalsContact C-N 3.33Å; Q1140-I1142 VanDerWaalsContact C-N 3.29Å; Q1140-I1142 PolarHBondContact O-N 3.31Å |
| 1141 | I | 44.7 | Very low | 54 | Low | 127 Ų | 127 | 109.9 Ų | 109.9 | 65% | 0.651 | 53% | 0.53 | S | S | * | . | trans | -76.8 | 86.5 | 176.6 | -54.6 | 176.1 | 0 | 0 | 0 | 108.8 | ||||
| 1142 | I | 48.5 | Very low | 54.2 | Low | 73 Ų | 73 | 110.6 Ų | 110.6 | 37% | 0.374 | 54% | 0.539 | S | S | . | . | trans | 156.1 | 66.4 | 146 | -70.3 | 151.1 | 0 | 0 | 0 | 105 | Y874 Y912 Q1140 I1144 | Y874-I1142 VanDerWaalsContact CE2-O 3.32Å; Y874-I1142 WeakPolarHBondContact CE2-O 3.16Å; Y874-I1142 PolarHBondContact OH-O 2.96Å; Y874-I1142 VanDerWaalsContact OH-O 3.09Å; Y912-I1142 HydrophobicContact CD1-CD1 3.74Å; Y912-I1142 HydrophobicContact CE1-CD1 3.2Å; Q1140-I1142 VanDerWaalsContact C-N 3.29Å; Q1140-I1142 PolarHBondContact O-N 3.31Å; I1142-I1144 HydrophobicContact CG2-CD1 3.89Å; I1142-I1144 HydrophobicContact CG2-CG1 3.7Å; I1142-I1144 PolarHBondContact O-N 3.48Å | ||
| 1143 | Q | 44.4 | Very low | 54.4 | Low | 155 Ų | 155 | 105.3 Ų | 105.3 | 72% | 0.724 | 52% | 0.523 | S | S | * | . | trans | -85.2 | 85.6 | 156.2 | -85 | -170.6 | -5.4 | 0 | 0 | 107.8 | Y874 E1145 | Y874-Q1143 VanDerWaalsContact OH-CA 3.27Å; Y874-Q1143 WeakPolarHBondContact OH-CA 3.28Å; Q1143-E1145 PolarHBondContact O-N 3.28Å | ||
| 1144 | I | 51.6 | Low | 54.7 | Low | 82 Ų | 82 | 105.8 Ų | 105.8 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | trans | -70.6 | 109.2 | 165.3 | -58.9 | 172.7 | 0 | 0 | 0 | 106 | F871 Y874 I1142 V1146 | F871-I1144 HydrophobicContact CE2-CG2 4.19Å; Y874-I1144 HydrophobicContact CD1-CB 4.42Å; Y874-I1144 HydrophobicContact CE1-CB 3.82Å; Y874-I1144 WeakPolarHBondContact CE1-O 3.35Å; Y874-I1144 PolarHBondContact OH-N 3.41Å; Y874-I1144 PolarHBondContact OH-O 2.56Å; I1142-I1144 HydrophobicContact CG2-CD1 3.89Å; I1142-I1144 HydrophobicContact CG2-CG1 3.7Å; I1142-I1144 PolarHBondContact O-N 3.48Å; I1144-V1146 PolarHBondContact O-N 3.3Å | ||
| 1145 | E | 46.5 | Very low | 55 | Low | 138 Ų | 138 | 105.6 Ų | 105.6 | 65% | 0.645 | 53% | 0.526 | S | S | * | . | trans | -61 | 105.4 | 169.6 | -81.7 | -171.4 | 162 | 0 | 0 | 108.6 | Q1143 R1147 | Q1143-E1145 PolarHBondContact O-N 3.28Å; E1145-R1147 VanDerWaalsContact C-N 3.26Å; E1145-R1147 PolarHBondContact O-N 2.99Å; E1145-R1147 IonicContact OE2-CZ 2.77Å; E1145-R1147 IonicContact OE2-NE 3.27Å; E1145-R1147 PolarHBondContact OE2-NE 3.37Å; E1145-R1147 IonicContact OE2-NH2 2.65Å; E1145-R1147 PolarHBondContact OE2-NH2 2.97Å | ||
| 1146 | V | 52.8 | Low | 55.8 | Low | 61 Ų | 61 | 102.9 Ų | 102.9 | 37% | 0.37 | 51% | 0.511 | S | S | . | . | trans | -71.4 | 85.6 | 172.1 | -176 | 0 | 0 | 0 | 0 | 108 | Y874 I1144 K1148 P1189 | Y874-V1146 HydrophobicContact CD1-CG2 4.36Å; Y874-V1146 HydrophobicContact CE1-CG2 4.23Å; I1144-V1146 PolarHBondContact O-N 3.3Å; V1146-K1148 PolarHBondContact O-N 3.04Å; V1146-P1189 HydrophobicContact CG1-CB 4.04Å; V1146-P1189 HydrophobicContact CG1-CG 3.57Å | ||
| 1147 | R | 51.7 | Low | 56.6 | Low | 182 Ų | 182 | 103.7 Ų | 103.7 | 69% | 0.687 | 51% | 0.506 | S | S | * | . | trans | -70.8 | 121.2 | 175.2 | -71.3 | -174.1 | 179.9 | -176.7 | 0.2 | 109.9 | E1145 S1149 | E1145-R1147 VanDerWaalsContact C-N 3.26Å; E1145-R1147 PolarHBondContact O-N 2.99Å; E1145-R1147 IonicContact OE2-CZ 2.77Å; E1145-R1147 IonicContact OE2-NE 3.27Å; E1145-R1147 PolarHBondContact OE2-NE 3.37Å; E1145-R1147 IonicContact OE2-NH2 2.65Å; E1145-R1147 PolarHBondContact OE2-NH2 2.97Å; R1147-S1149 PolarHBondContact O-N 3.07Å | ||
| 1148 | K | 53.1 | Low | 57.2 | Low | 195 Ų | 195 | 104.9 Ų | 104.9 | 85% | 0.848 | 51% | 0.511 | S | S | * | . | trans | -65.1 | 98.4 | 165.9 | -71 | -173.8 | 177.5 | -174 | 0 | 108.6 | V1146 | V1146-K1148 PolarHBondContact O-N 3.04Š| ||
| 1149 | S | 57.3 | Low | 57.9 | Low | 58 Ų | 58 | 101.7 Ų | 101.7 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 138.9 | 172.3 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | R1147 R1192 | R1147-S1149 PolarHBondContact O-N 3.07Å; S1149-R1192 PolarHBondContact OG-NH1 3.45Å |
| 1150 | T | 58.1 | Low | 59 | Low | 129 Ų | 129 | 96.7 Ų | 96.7 | 79% | 0.791 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -84.2 | 133.2 | 166.4 | 50.2 | 0 | 0 | 0 | 0 | 109.6 | N1152 | T1150-N1152 PolarHBondContact O-N 3.02Š|
| 1151 | C | 61.4 | Low | 59.9 | Low | 24 Ų | 24 | 93 Ų | 93 | 16% | 0.162 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -56 | 132 | -179.9 | -70.1 | 0 | 0 | 0 | 0 | 112.3 | L1153 E1185 | C1151-L1153 PolarHBondContact O-N 3.42Å; C1151-E1185 PolarHBondContact SG-O 2.76Å |
| 1152 | N | 70.4 | Confident | 60.7 | Low | 80 Ų | 80 | 87.8 Ų | 87.8 | 43% | 0.428 | 43% | 0.433 | S | S | . | . | trans | -82.2 | 98.2 | 174.8 | -168.3 | -16.5 | 0 | 0 | 0 | 111.7 | T1150 D1154 Y1155 L1156 E1185 | T1150-N1152 PolarHBondContact O-N 3.02Å; N1152-D1154 PolarHBondContact O-N 2.97Å; N1152-Y1155 PolarHBondContact O-N 3.01Å; N1152-L1156 PolarHBondContact O-N 3.43Å; N1152-E1185 WeakPolarHBondContact CB-OE2 3.17Å; N1152-E1185 PolarHBondContact N-OE2 3.43Å | ||
| 1153 | L | 66.8 | Low | 61.2 | Low | 50 Ų | 50 | 88.5 Ų | 88.5 | 26% | 0.262 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.4 | -33.7 | -169.5 | -132.4 | 143.4 | 0 | 0 | 0 | 113.7 | C1151 Y1155 K1157 L1220 A1224 | C1151-L1153 PolarHBondContact O-N 3.42Å; L1153-Y1155 VanDerWaalsContact C-N 3.32Å; L1153-Y1155 PolarHBondContact O-N 3.48Å; L1153-K1157 HydrophobicContact CD2-CD 4.28Å; L1153-K1157 VanDerWaalsContact CD2-CE 3.48Å; L1153-K1157 HydrophobicContact CD2-CG 4.34Å; L1153-K1157 WeakPolarHBondContact O-CB 3.23Å; L1153-K1157 WeakPolarHBondContact O-CG 3.27Å; L1153-K1157 PolarHBondContact O-N 2.76Å; L1153-L1220 HydrophobicContact CD1-CD2 3.83Å; L1153-L1220 HydrophobicContact CD2-CD2 4.41Å; L1153-L1220 HydrophobicContact CG-CD2 3.87Å; L1153-A1224 HydrophobicContact CD2-CB 3.78Å |
| 1154 | D | 67.7 | Low | 62.1 | Low | 128 Ų | 128 | 86.3 Ų | 86.3 | 68% | 0.684 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -69.5 | -32.3 | -179 | -71.2 | -29.3 | 0 | 0 | 0 | 112.3 | N1152 K1158 | N1152-D1154 PolarHBondContact O-N 2.97Å; D1154-K1158 PolarHBondContact O-N 2.8Å |
| 1155 | Y | 68.1 | Low | 62.7 | Low | 125 Ų | 125 | 83.4 Ų | 83.4 | 49% | 0.49 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -75.6 | -43.5 | 179.1 | -144.5 | -94.6 | 0 | 0 | 0 | 111.4 | N1152 L1153 K1157 K1158 I1159 | N1152-Y1155 PolarHBondContact O-N 3.01Å; L1153-Y1155 VanDerWaalsContact C-N 3.32Å; L1153-Y1155 PolarHBondContact O-N 3.48Å; Y1155-K1157 VanDerWaalsContact C-N 3.29Å; Y1155-K1157 PolarHBondContact O-N 3.5Å; Y1155-K1158 WeakPolarHBondContact O-CB 3.27Å; Y1155-K1158 PolarHBondContact O-N 2.96Å; Y1155-I1159 HydrophobicContact CD1-CD1 4.01Å; Y1155-I1159 HydrophobicContact CE1-CD1 4.05Å |
| 1156 | L | 71 | Confident | 63.5 | Low | 6 Ų | 6 | 78.4 Ų | 78.4 | 3% | 0.031 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.4 | -39.9 | 173 | -75.3 | 169.3 | 0 | 0 | 0 | 111.7 | N1152 K1158 I1159 W1160 L1182 E1185 | N1152-L1156 PolarHBondContact O-N 3.43Å; L1156-K1158 VanDerWaalsContact C-N 3.25Å; L1156-K1158 PolarHBondContact O-N 3.32Å; L1156-I1159 PolarHBondContact O-N 3.03Å; L1156-W1160 PolarHBondContact O-N 2.91Å; L1156-L1182 HydrophobicContact CD2-CD2 4.38Å; L1156-E1185 HydrophobicContact CD1-CB 4.47Å |
| 1157 | K | 71.4 | Confident | 64.1 | Low | 66 Ų | 66 | 76.8 Ų | 76.8 | 29% | 0.287 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.4 | -34.7 | 177.8 | -82.5 | -176 | -177.6 | -132.9 | 0 | 114.1 | L1153 Y1155 I1159 W1160 E1227 | L1153-K1157 HydrophobicContact CD2-CD 4.28Å; L1153-K1157 VanDerWaalsContact CD2-CE 3.48Å; L1153-K1157 HydrophobicContact CD2-CG 4.34Å; L1153-K1157 WeakPolarHBondContact O-CB 3.23Å; L1153-K1157 WeakPolarHBondContact O-CG 3.27Å; L1153-K1157 PolarHBondContact O-N 2.76Å; Y1155-K1157 VanDerWaalsContact C-N 3.29Å; Y1155-K1157 PolarHBondContact O-N 3.5Å; K1157-I1159 VanDerWaalsContact C-N 3.31Å; K1157-W1160 HydrophobicContact CG-CZ2 3.62Å; K1157-E1227 WeakPolarHBondContact CE-OE2 3.16Å; K1157-E1227 IonicContact NZ-OE1 3.45Å; K1157-E1227 PolarHBondContact NZ-OE1 3.23Å; K1157-E1227 IonicContact NZ-OE2 2.71Å; K1157-E1227 PolarHBondContact NZ-OE2 3.3Å |
| 1158 | K | 67.4 | Low | 64.8 | Low | 165 Ų | 165 | 71.1 Ų | 71.1 | 72% | 0.717 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -68.7 | -34.4 | -179 | -143.8 | 174.8 | -174.6 | 178.3 | 0 | 111.7 | D1154 Y1155 L1156 S1161 | D1154-K1158 PolarHBondContact O-N 2.8Å; Y1155-K1158 WeakPolarHBondContact O-CB 3.27Å; Y1155-K1158 PolarHBondContact O-N 2.96Å; L1156-K1158 VanDerWaalsContact C-N 3.25Å; L1156-K1158 PolarHBondContact O-N 3.32Å; K1158-S1161 PolarHBondContact O-OG 3.32Å; K1158-S1161 VanDerWaalsContact O-OG 3.07Å |
| 1159 | I | 64.9 | Low | 65.4 | Low | 43 Ų | 43 | 68.1 Ų | 68.1 | 22% | 0.221 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -93.3 | -35.5 | -170.4 | -59.4 | 177.2 | 0 | 0 | 0 | 111.7 | Y1155 L1156 K1157 S1161 W1174 E1181 | Y1155-I1159 HydrophobicContact CD1-CD1 4.01Å; Y1155-I1159 HydrophobicContact CE1-CD1 4.05Å; L1156-I1159 PolarHBondContact O-N 3.03Å; K1157-I1159 VanDerWaalsContact C-N 3.31Å; I1159-S1161 PolarHBondContact O-N 3.1Å; I1159-S1161 VanDerWaalsContact O-N 3.14Å; I1159-W1174 PolarHBondContact O-NE1 3.2Å; I1159-E1181 HydrophobicContact CD1-CB 4.4Å; I1159-E1181 HydrophobicContact CD1-CG 3.79Å |
| 1160 | W | 72.9 | Confident | 65.9 | Low | 11 Ų | 11 | 65.4 Ų | 65.4 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -74.3 | 0.5 | 177.2 | 71.4 | 18.6 | 0 | 0 | 0 | 113.7 | L1156 K1157 V1162 F1178 L1220 A1224 E1227 L1228 C1231 | L1156-W1160 PolarHBondContact O-N 2.91Å; K1157-W1160 HydrophobicContact CG-CZ2 3.62Å; W1160-V1162 WeakPolarHBondContact O-CG2 3.38Å; W1160-V1162 PolarHBondContact O-N 2.87Å; W1160-F1178 HydrophobicContact CB-CD2 4.46Å; W1160-F1178 HydrophobicContact CB-CE2 4.05Å; W1160-L1220 HydrophobicContact CH2-CD1 4.48Å; W1160-L1220 HydrophobicContact CZ3-CD1 4.06Å; W1160-A1224 HydrophobicContact CH2-CB 4.12Å; W1160-A1224 WeakPolarHBondContact CH2-O 3.37Å; W1160-E1227 HydrophobicContact CZ2-CB 4.27Å; W1160-L1228 HydrophobicContact CB-CD1 4.21Å; W1160-L1228 HydrophobicContact CD2-CB 4.38Å; W1160-L1228 HydrophobicContact CD2-CD1 3.98Å; W1160-L1228 HydrophobicContact CE3-CB 3.91Å; W1160-L1228 HydrophobicContact CE3-CD1 3.51Å; W1160-L1228 HydrophobicContact CE3-CD2 3.84Å; W1160-L1228 HydrophobicContact CE3-CG 3.94Å; W1160-L1228 HydrophobicContact CG-CD1 4.35Å; W1160-L1228 HydrophobicContact CH2-CB 3.9Å; W1160-L1228 HydrophobicContact CZ2-CB 4.39Å; W1160-L1228 HydrophobicContact CZ3-CB 3.66Å; W1160-L1228 HydrophobicContact CZ3-CD1 4.09Å; W1160-L1228 HydrophobicContact CZ3-CD2 3.62Å; W1160-L1228 HydrophobicContact CZ3-CG 3.99Å; W1160-C1231 WeakPolarHBondContact O-CB 3.43Å; W1160-C1231 PolarHBondContact O-SG 3.31Å |
| 1161 | S | 67.4 | Low | 66.7 | Low | 54 Ų | 54 | 59.6 Ų | 59.6 | 38% | 0.378 | 30% | 0.303 | S | S | . | . | trans | -79.3 | 117 | 179.9 | 75 | 0 | 0 | 0 | 0 | 111 | K1158 I1159 S1163 | K1158-S1161 PolarHBondContact O-OG 3.32Å; K1158-S1161 VanDerWaalsContact O-OG 3.07Å; I1159-S1161 PolarHBondContact O-N 3.1Å; I1159-S1161 VanDerWaalsContact O-N 3.14Å; S1161-S1163 PolarHBondContact O-N 3.44Å | ||
| 1162 | V | 60.7 | Low | 67.3 | Low | 19 Ų | 19 | 60.8 Ų | 60.8 | 12% | 0.115 | 31% | 0.307 | C | S | . | . | trans | -88.2 | -3.4 | -165.3 | -171.1 | 0 | 0 | 0 | 0 | 113.6 | W1160 R1164 C1165 W1171 W1174 C1231 | W1160-V1162 WeakPolarHBondContact O-CG2 3.38Å; W1160-V1162 PolarHBondContact O-N 2.87Å; V1162-R1164 PolarHBondContact O-N 3.41Å; V1162-C1165 PolarHBondContact O-N 3.17Å; V1162-W1171 HydrophobicContact CG1-CH2 3.05Å; V1162-W1171 HydrophobicContact CG1-CZ2 3.96Å; V1162-W1171 HydrophobicContact CG1-CZ3 3.49Å; V1162-W1171 VanDerWaalsContact CG1-CZ3 3.49Å; V1162-W1174 HydrophobicContact CG2-CZ2 4.36Å; V1162-C1231 HydrophobicContact CG2-CB 3.69Å | ||
| 1163 | S | 59.6 | Low | 67.3 | Low | 87 Ų | 87 | 58.5 Ų | 58.5 | 61% | 0.608 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -2.6 | -167.2 | 58.4 | 0 | 0 | 0 | 0 | 116.6 | K181 S1161 | K181-S1163 PolarHBondContact NZ-O 3.3Å; S1161-S1163 PolarHBondContact O-N 3.44Å |
| 1164 | R | 62.6 | Low | 67.9 | Low | 110 Ų | 110 | 57 Ų | 57 | 42% | 0.415 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | -4.2 | -174.4 | -59.2 | -174.5 | -175.5 | -174.4 | 3.1 | 115 | Q136 V1162 | Q136-R1164 PolarHBondContact O-NH1 3.47Å; V1162-R1164 PolarHBondContact O-N 3.41Å |
| 1165 | C | 64.4 | Low | 68.5 | Low | 20 Ų | 20 | 51.7 Ų | 51.7 | 14% | 0.135 | 26% | 0.256 | C | S | . | . | trans | -90.3 | 121.7 | -177.4 | -53.2 | 0 | 0 | 0 | 0 | 111 | V1162 D1170 W1171 | V1162-C1165 PolarHBondContact O-N 3.17Å; C1165-D1170 HydrophobicContact CB-CB 4.11Å; C1165-W1171 HydrophobicContact CB-CD2 3.89Å; C1165-W1171 HydrophobicContact CB-CE3 4.22Å; C1165-W1171 HydrophobicContact CB-CG 4.41Å; C1165-W1171 HydrophobicContact CB-CH2 4.33Å; C1165-W1171 HydrophobicContact CB-CZ2 3.91Å; C1165-W1171 HydrophobicContact CB-CZ3 4.44Å | ||
| 1166 | A | 64.2 | Low | 68.8 | Low | 34 Ų | 34 | 48.4 Ų | 48.4 | 28% | 0.281 | 25% | 0.245 | S | C | . | . | trans | -131.5 | -24.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R174 D1170 | R174-A1166 HydrophobicContact CB-CB 4.35Å; R174-A1166 HydrophobicContact CG-CB 4.46Å; A1166-D1170 PolarHBondContact N-OD2 3.38Å | ||
| 1167 | S | 65.8 | Low | 69 | Low | 26 Ų | 26 | 50.8 Ų | 50.8 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -108.1 | 162.5 | 178.8 | 87.3 | 0 | 0 | 0 | 0 | 112.1 | E1169 D1170 W1171 | S1167-E1169 VanDerWaalsContact C-N 3.28Å; S1167-E1169 PolarHBondContact O-N 3.37Å; S1167-E1169 PolarHBondContact OG-N 3.18Å; S1167-D1170 PolarHBondContact N-OD2 3.32Å; S1167-D1170 WeakPolarHBondContact O-CB 3.22Å; S1167-D1170 PolarHBondContact O-N 3.04Å; S1167-D1170 VanDerWaalsContact OG-CG 3.3Å; S1167-D1170 PolarHBondContact OG-N 3.25Å; S1167-D1170 PolarHBondContact OG-OD1 3.06Å; S1167-W1171 PolarHBondContact O-N 2.86Å |
| 1168 | K | 64.9 | Low | 69.5 | Low | 63 Ų | 63 | 47.7 Ų | 47.7 | 27% | 0.274 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -52.5 | -45.3 | 173.7 | -175.3 | -176 | 178 | -176.1 | 0 | 112.2 | D1170 W1171 I1172 C1241 E1243 | K1168-D1170 VanDerWaalsContact C-N 3.33Å; K1168-D1170 PolarHBondContact O-N 3.47Å; K1168-W1171 PolarHBondContact O-N 3.14Å; K1168-I1172 HydrophobicContact CG-CD1 4.15Å; K1168-I1172 WeakPolarHBondContact O-CG1 3.2Å; K1168-I1172 PolarHBondContact O-N 3.08Å; K1168-I1172 VanDerWaalsContact O-N 3.14Å; K1168-C1241 HydrophobicContact CG-CB 4.29Å; K1168-E1243 VanDerWaalsContact CE-CD 3.44Å; K1168-E1243 WeakPolarHBondContact CE-OE1 3.29Å; K1168-E1243 WeakPolarHBondContact CE-OE2 3.41Å; K1168-E1243 IonicContact NZ-OE1 3.56Å; K1168-E1243 PolarHBondContact NZ-OE1 3.23Å; K1168-E1243 IonicContact NZ-OE2 3.15Å |
| 1169 | E | 66.5 | Low | 70.3 | Confident | 132 Ų | 132 | 39.9 Ų | 39.9 | 62% | 0.617 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -63.2 | -39.1 | -179.8 | -65.7 | 168.7 | -170.9 | 0 | 0 | 112 | T132 S1167 W1171 I1172 E1173 | T132-E1169 PolarHBondContact OG1-OE2 3.03Å; S1167-E1169 VanDerWaalsContact C-N 3.28Å; S1167-E1169 PolarHBondContact O-N 3.37Å; S1167-E1169 PolarHBondContact OG-N 3.18Å; E1169-W1171 VanDerWaalsContact C-N 3.28Å; E1169-W1171 PolarHBondContact O-N 3.46Å; E1169-I1172 PolarHBondContact O-N 2.86Å; E1169-E1173 WeakPolarHBondContact O-CB 3.35Å; E1169-E1173 PolarHBondContact O-N 3.08Å |
| 1170 | D | 68.1 | Low | 71.2 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -39.7 | 177.5 | -54.2 | 9 | 0 | 0 | 0 | 111.5 | T132 R174 C1165 A1166 S1167 K1168 W1174 | T132-D1170 HydrophobicContact CG2-CB 4.46Å; T132-D1170 WeakPolarHBondContact CG2-OD1 3.35Å; R174-D1170 IonicContact CZ-OD1 2.66Å; R174-D1170 IonicContact CZ-OD2 3.66Å; R174-D1170 IonicContact NH1-OD1 2.88Å; R174-D1170 PolarHBondContact NH1-OD1 2.8Å; R174-D1170 IonicContact NH1-OD2 3.45Å; R174-D1170 PolarHBondContact NH1-OD2 3.15Å; R174-D1170 IonicContact NH2-OD1 2.69Å; R174-D1170 PolarHBondContact NH2-OD1 3.34Å; R174-D1170 IonicContact NH2-OD2 3.82Å; C1165-D1170 HydrophobicContact CB-CB 4.11Å; A1166-D1170 PolarHBondContact N-OD2 3.38Å; S1167-D1170 PolarHBondContact N-OD2 3.32Å; S1167-D1170 WeakPolarHBondContact O-CB 3.22Å; S1167-D1170 PolarHBondContact O-N 3.04Å; S1167-D1170 VanDerWaalsContact OG-CG 3.3Å; S1167-D1170 PolarHBondContact OG-N 3.25Å; S1167-D1170 PolarHBondContact OG-OD1 3.06Å; K1168-D1170 VanDerWaalsContact C-N 3.33Å; K1168-D1170 PolarHBondContact O-N 3.47Å; D1170-W1174 WeakPolarHBondContact O-CB 3.28Å; D1170-W1174 PolarHBondContact O-N 3.43Å |
| 1171 | W | 74.4 | Confident | 71.5 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 2% | 0.023 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.3 | -42 | -178.1 | -79.9 | 113.5 | 0 | 0 | 0 | 111.6 | V1162 C1165 S1167 K1168 E1169 W1174 L1175 A1235 N1238 C1241 V1244 | V1162-W1171 HydrophobicContact CG1-CH2 3.05Å; V1162-W1171 HydrophobicContact CG1-CZ2 3.96Å; V1162-W1171 HydrophobicContact CG1-CZ3 3.49Å; V1162-W1171 VanDerWaalsContact CG1-CZ3 3.49Å; C1165-W1171 HydrophobicContact CB-CD2 3.89Å; C1165-W1171 HydrophobicContact CB-CE3 4.22Å; C1165-W1171 HydrophobicContact CB-CG 4.41Å; C1165-W1171 HydrophobicContact CB-CH2 4.33Å; C1165-W1171 HydrophobicContact CB-CZ2 3.91Å; C1165-W1171 HydrophobicContact CB-CZ3 4.44Å; S1167-W1171 PolarHBondContact O-N 2.86Å; K1168-W1171 PolarHBondContact O-N 3.14Å; E1169-W1171 VanDerWaalsContact C-N 3.28Å; E1169-W1171 PolarHBondContact O-N 3.46Å; W1171-W1174 AromaticContact CE3-CE3 3.97Å; W1171-W1174 HydrophobicContact CE3-CE3 3.97Å; W1171-W1174 HydrophobicContact CE3-CZ3 4.43Å; W1171-W1174 HydrophobicContact CZ3-CE3 4.23Å; W1171-W1174 HydrophobicContact CZ3-CZ3 4.4Å; W1171-W1174 PolarHBondContact O-N 2.61Å; W1171-L1175 WeakPolarHBondContact O-CB 3.34Å; W1171-L1175 PolarHBondContact O-N 3.2Å; W1171-A1235 HydrophobicContact CE3-CB 4.47Å; W1171-A1235 HydrophobicContact CH2-CB 3.82Å; W1171-A1235 HydrophobicContact CZ3-CB 3.49Å; W1171-A1235 VanDerWaalsContact CZ3-CB 3.49Å; W1171-N1238 HydrophobicContact CZ2-CB 4.15Å; W1171-N1238 WeakPolarHBondContact CZ2-ND2 3.46Å; W1171-C1241 HydrophobicContact CB-CB 4.11Å; W1171-C1241 HydrophobicContact CG-CB 4.48Å; W1171-V1244 HydrophobicContact CB-CG2 3.91Å; W1171-V1244 HydrophobicContact CE3-CG1 4.35Å |
| 1172 | I | 73.9 | Confident | 72.3 | Confident | 50 Ų | 50 | 37.2 Ų | 37.2 | 26% | 0.256 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 174.5 | -65.6 | 170.7 | 0 | 0 | 0 | 110.4 | K1168 E1169 L1175 K1176 | K1168-I1172 HydrophobicContact CG-CD1 4.15Å; K1168-I1172 WeakPolarHBondContact O-CG1 3.2Å; K1168-I1172 PolarHBondContact O-N 3.08Å; K1168-I1172 VanDerWaalsContact O-N 3.14Å; E1169-I1172 PolarHBondContact O-N 2.86Å; I1172-L1175 PolarHBondContact O-N 3.33Å; I1172-K1176 HydrophobicContact CG2-CD 4.41Å; I1172-K1176 WeakPolarHBondContact O-CG 3.29Å; I1172-K1176 PolarHBondContact O-N 2.98Å |
| 1173 | E | 69.9 | Low | 73.4 | Confident | 32 Ų | 32 | 36.3 Ų | 36.3 | 15% | 0.15 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.6 | -39.2 | 179.6 | -176.4 | 57 | -159.8 | 0 | 0 | 111.9 | F133 E1169 L1175 K1176 R1177 | F133-E1173 HydrophobicContact CE1-CG 4.2Å; E1169-E1173 WeakPolarHBondContact O-CB 3.35Å; E1169-E1173 PolarHBondContact O-N 3.08Å; E1173-L1175 VanDerWaalsContact C-N 3.34Å; E1173-L1175 PolarHBondContact O-N 3.35Å; E1173-K1176 PolarHBondContact O-N 2.97Å; E1173-R1177 WeakPolarHBondContact O-CB 3.35Å; E1173-R1177 WeakPolarHBondContact O-CG 3.3Å; E1173-R1177 PolarHBondContact O-N 3.19Å; E1173-R1177 IonicContact OE1-NE 2.98Å; E1173-R1177 PolarHBondContact OE1-NE 3.21Å; E1173-R1177 VanDerWaalsContact OE1-NE 3.1Å |
| 1174 | W | 81 | Confident | 74.5 | Confident | 18 Ų | 18 | 35.4 Ų | 35.4 | 7% | 0.068 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.8 | -47.2 | 171.3 | 171.3 | 79.4 | 0 | 0 | 0 | 111.1 | I1159 V1162 D1170 W1171 K1176 R1177 F1178 L1232 V1244 | I1159-W1174 PolarHBondContact O-NE1 3.2Å; V1162-W1174 HydrophobicContact CG2-CZ2 4.36Å; D1170-W1174 WeakPolarHBondContact O-CB 3.28Å; D1170-W1174 PolarHBondContact O-N 3.43Å; W1171-W1174 AromaticContact CE3-CE3 3.97Å; W1171-W1174 HydrophobicContact CE3-CE3 3.97Å; W1171-W1174 HydrophobicContact CE3-CZ3 4.43Å; W1171-W1174 HydrophobicContact CZ3-CE3 4.23Å; W1171-W1174 HydrophobicContact CZ3-CZ3 4.4Å; W1171-W1174 PolarHBondContact O-N 2.61Å; W1174-K1176 PolarHBondContact O-N 3.44Å; W1174-R1177 PolarHBondContact O-N 3.41Å; W1174-F1178 HydrophobicContact CH2-CD1 4.39Å; W1174-F1178 HydrophobicContact CZ2-CD1 4.39Å; W1174-F1178 WeakPolarHBondContact O-CB 3.15Å; W1174-F1178 PolarHBondContact O-N 3.12Å; W1174-L1232 HydrophobicContact CH2-CD2 4.47Å; W1174-V1244 HydrophobicContact CZ3-CG1 4.12Å |
| 1175 | L | 79.4 | Confident | 75.4 | Confident | 16 Ų | 16 | 32 Ų | 32 | 8% | 0.084 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | 178 | -177.4 | 67.3 | 0 | 0 | 0 | 111.5 | W1171 I1172 E1173 F1178 S1179 F1209 V1244 A1247 | W1171-L1175 WeakPolarHBondContact O-CB 3.34Å; W1171-L1175 PolarHBondContact O-N 3.2Å; I1172-L1175 PolarHBondContact O-N 3.33Å; E1173-L1175 VanDerWaalsContact C-N 3.34Å; E1173-L1175 PolarHBondContact O-N 3.35Å; L1175-F1178 PolarHBondContact O-N 2.83Å; L1175-S1179 WeakPolarHBondContact O-CB 3.27Å; L1175-S1179 PolarHBondContact O-N 3.29Å; L1175-S1179 PolarHBondContact O-OG 3.49Å; L1175-F1209 HydrophobicContact CD1-CE1 4.21Å; L1175-F1209 HydrophobicContact CD1-CE2 4.1Å; L1175-F1209 HydrophobicContact CD1-CZ 3.92Å; L1175-V1244 HydrophobicContact CB-CG2 4.26Å; L1175-V1244 HydrophobicContact CD2-CG2 4.26Å; L1175-A1247 HydrophobicContact CD1-CB 4.25Å; L1175-A1247 HydrophobicContact CD2-CB 3.69Å |
| 1176 | K | 75 | Confident | 76.3 | Confident | 57 Ų | 57 | 31 Ų | 31 | 25% | 0.248 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.2 | -54.4 | 175.8 | -76.9 | -178.4 | 179 | -176.8 | 0 | 111.3 | I1172 E1173 W1174 F1178 S1179 I1180 | I1172-K1176 HydrophobicContact CG2-CD 4.41Å; I1172-K1176 WeakPolarHBondContact O-CG 3.29Å; I1172-K1176 PolarHBondContact O-N 2.98Å; E1173-K1176 PolarHBondContact O-N 2.97Å; W1174-K1176 PolarHBondContact O-N 3.44Å; K1176-F1178 VanDerWaalsContact C-N 3.3Å; K1176-F1178 PolarHBondContact O-N 2.95Å; K1176-S1179 PolarHBondContact O-N 3.49Å; K1176-S1179 PolarHBondContact O-OG 3.01Å; K1176-I1180 WeakPolarHBondContact O-CG1 3.43Å; K1176-I1180 PolarHBondContact O-N 2.56Å |
| 1177 | R | 74.9 | Confident | 77 | Confident | 55 Ų | 55 | 31.3 Ų | 31.3 | 21% | 0.208 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.8 | -42.2 | 177.8 | -70.8 | -179.8 | -179.8 | -160.1 | 0.2 | 111.7 | S90 E94 E1173 W1174 E1181 | S90-R1177 PolarHBondContact OG-NH2 3.08Å; E94-R1177 IonicContact OE1-CZ 3.82Å; E94-R1177 IonicContact OE1-NH1 3.75Å; E94-R1177 PolarHBondContact OE1-NH1 3.24Å; E94-R1177 IonicContact OE1-NH2 2.78Å; E94-R1177 PolarHBondContact OE1-NH2 3.25Å; E1173-R1177 WeakPolarHBondContact O-CB 3.35Å; E1173-R1177 WeakPolarHBondContact O-CG 3.3Å; E1173-R1177 PolarHBondContact O-N 3.19Å; E1173-R1177 IonicContact OE1-NE 2.98Å; E1173-R1177 PolarHBondContact OE1-NE 3.21Å; E1173-R1177 VanDerWaalsContact OE1-NE 3.1Å; W1174-R1177 PolarHBondContact O-N 3.41Å; R1177-E1181 WeakPolarHBondContact O-CG 3.23Å; R1177-E1181 PolarHBondContact O-N 3.26Å; R1177-E1181 VanDerWaalsContact O-N 3.12Å |
| 1178 | F | 82.5 | Confident | 77.8 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 177.7 | -175.2 | -127.4 | 0 | 0 | 0 | 111.6 | W1160 W1174 L1175 K1176 L1182 F1209 F1213 L1228 | W1160-F1178 HydrophobicContact CB-CD2 4.46Å; W1160-F1178 HydrophobicContact CB-CE2 4.05Å; W1174-F1178 HydrophobicContact CH2-CD1 4.39Å; W1174-F1178 HydrophobicContact CZ2-CD1 4.39Å; W1174-F1178 WeakPolarHBondContact O-CB 3.15Å; W1174-F1178 PolarHBondContact O-N 3.12Å; L1175-F1178 PolarHBondContact O-N 2.83Å; K1176-F1178 VanDerWaalsContact C-N 3.3Å; K1176-F1178 PolarHBondContact O-N 2.95Å; F1178-L1182 HydrophobicContact CD1-CD1 4.06Å; F1178-L1182 HydrophobicContact CD2-CD1 4.39Å; F1178-L1182 HydrophobicContact CD2-CG 4.41Å; F1178-L1182 HydrophobicContact CE1-CD1 3.75Å; F1178-L1182 HydrophobicContact CE2-CD1 4.1Å; F1178-L1182 HydrophobicContact CE2-CD2 4.3Å; F1178-L1182 HydrophobicContact CE2-CG 4.15Å; F1178-L1182 HydrophobicContact CG-CD1 4.36Å; F1178-L1182 HydrophobicContact CZ-CD1 3.77Å; F1178-L1182 HydrophobicContact CZ-CD2 4.36Å; F1178-L1182 HydrophobicContact CZ-CG 4.27Å; F1178-L1182 WeakPolarHBondContact O-CB 3.24Å; F1178-L1182 VanDerWaalsContact O-CG 3.25Å; F1178-L1182 WeakPolarHBondContact O-CG 3.35Å; F1178-L1182 PolarHBondContact O-N 3.31Å; F1178-F1209 AromaticContact CD1-CE2 3.58Å; F1178-F1209 HydrophobicContact CD1-CE2 3.58Å; F1178-F1209 HydrophobicContact CD1-CZ 4.08Å; F1178-F1209 AromaticContact CE1-CE2 3.72Å; F1178-F1209 HydrophobicContact CE1-CE2 3.72Å; F1178-F1209 AromaticContact CE1-CZ 3.99Å; F1178-F1209 HydrophobicContact CE1-CZ 3.99Å; F1178-F1213 HydrophobicContact CE1-CD2 4.11Å; F1178-F1213 HydrophobicContact CE1-CE2 4.28Å; F1178-F1213 HydrophobicContact CZ-CD2 4.14Å; F1178-F1213 HydrophobicContact CZ-CE2 4.15Å; F1178-L1228 HydrophobicContact CZ-CD1 4.05Å |
| 1179 | S | 84 | Confident | 78.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.1 | -43 | 178.1 | 68.7 | 0 | 0 | 0 | 0 | 113.6 | L1175 K1176 L1182 L1183 A1205 | L1175-S1179 WeakPolarHBondContact O-CB 3.27Å; L1175-S1179 PolarHBondContact O-N 3.29Å; L1175-S1179 PolarHBondContact O-OG 3.49Å; K1176-S1179 PolarHBondContact O-N 3.49Å; K1176-S1179 PolarHBondContact O-OG 3.01Å; S1179-L1182 PolarHBondContact O-N 3.3Å; S1179-L1183 PolarHBondContact O-N 2.91Å; S1179-A1205 VanDerWaalsContact OG-CB 3.29Å; S1179-A1205 WeakPolarHBondContact OG-CB 3.26Å |
| 1180 | I | 82.3 | Confident | 79.3 | Confident | 15 Ų | 15 | 23.4 Ų | 23.4 | 8% | 0.077 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.4 | -43 | 179.5 | -68 | 170.2 | 0 | 0 | 0 | 110.7 | T87 K1176 L1183 K1184 Y1195 Q1199 A1205 | T87-I1180 HydrophobicContact CG2-CD1 4.49Å; K1176-I1180 WeakPolarHBondContact O-CG1 3.43Å; K1176-I1180 PolarHBondContact O-N 2.56Å; I1180-L1183 WeakPolarHBondContact O-CB 3.35Å; I1180-L1183 PolarHBondContact O-N 3.06Å; I1180-K1184 PolarHBondContact O-N 3.03Å; I1180-Y1195 HydrophobicContact CG2-CD2 3.88Å; I1180-Y1195 HydrophobicContact CG2-CE2 3.7Å; I1180-Q1199 HydrophobicContact CG2-CG 3.98Å; I1180-A1205 HydrophobicContact CG1-CB 3.8Å |
| 1181 | E | 79.8 | Confident | 80 | Confident | 32 Ų | 32 | 23.3 Ų | 23.3 | 15% | 0.15 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -73 | -32.9 | -179.3 | -68.4 | -65.9 | 151.1 | 0 | 0 | 112.4 | I1159 R1177 L1183 K1184 E1185 | I1159-E1181 HydrophobicContact CD1-CB 4.4Å; I1159-E1181 HydrophobicContact CD1-CG 3.79Å; R1177-E1181 WeakPolarHBondContact O-CG 3.23Å; R1177-E1181 PolarHBondContact O-N 3.26Å; R1177-E1181 VanDerWaalsContact O-N 3.12Å; E1181-L1183 VanDerWaalsContact C-N 3.29Å; E1181-L1183 PolarHBondContact O-N 3.2Å; E1181-K1184 PolarHBondContact O-N 3.21Å; E1181-K1184 IonicContact OE1-NZ 3.46Å; E1181-K1184 WeakPolarHBondContact OE2-CD 3.44Å; E1181-K1184 IonicContact OE2-NZ 3.91Å; E1181-E1185 PolarHBondContact O-N 3.34Å |
| 1182 | L | 83.9 | Confident | 80.5 | Confident | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.9 | -39.6 | 170.2 | -75.8 | 170.9 | 0 | 0 | 0 | 111.8 | L1156 F1178 S1179 S1186 F1209 A1212 F1213 C1216 | L1156-L1182 HydrophobicContact CD2-CD2 4.38Å; F1178-L1182 HydrophobicContact CD1-CD1 4.06Å; F1178-L1182 HydrophobicContact CD2-CD1 4.39Å; F1178-L1182 HydrophobicContact CD2-CG 4.41Å; F1178-L1182 HydrophobicContact CE1-CD1 3.75Å; F1178-L1182 HydrophobicContact CE2-CD1 4.1Å; F1178-L1182 HydrophobicContact CE2-CD2 4.3Å; F1178-L1182 HydrophobicContact CE2-CG 4.15Å; F1178-L1182 HydrophobicContact CG-CD1 4.36Å; F1178-L1182 HydrophobicContact CZ-CD1 3.77Å; F1178-L1182 HydrophobicContact CZ-CD2 4.36Å; F1178-L1182 HydrophobicContact CZ-CG 4.27Å; F1178-L1182 WeakPolarHBondContact O-CB 3.24Å; F1178-L1182 VanDerWaalsContact O-CG 3.25Å; F1178-L1182 WeakPolarHBondContact O-CG 3.35Å; F1178-L1182 PolarHBondContact O-N 3.31Å; S1179-L1182 PolarHBondContact O-N 3.3Å; L1182-S1186 WeakPolarHBondContact O-CB 3.49Å; L1182-S1186 PolarHBondContact O-N 3.46Å; L1182-F1209 HydrophobicContact CD1-CD2 4.07Å; L1182-F1209 HydrophobicContact CD1-CE2 3.75Å; L1182-A1212 HydrophobicContact CB-CB 3.85Å; L1182-F1213 HydrophobicContact CD1-CB 4.13Å; L1182-F1213 HydrophobicContact CD1-CD2 4.1Å; L1182-C1216 HydrophobicContact CD2-CB 3.9Å |
| 1183 | L | 84.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.2 | -44.9 | 176.3 | -74 | 170.5 | 0 | 0 | 0 | 111.9 | S1179 I1180 E1181 S1186 L1191 R1192 A1198 A1205 L1208 A1212 | S1179-L1183 PolarHBondContact O-N 2.91Å; I1180-L1183 WeakPolarHBondContact O-CB 3.35Å; I1180-L1183 PolarHBondContact O-N 3.06Å; E1181-L1183 VanDerWaalsContact C-N 3.29Å; E1181-L1183 PolarHBondContact O-N 3.2Å; L1183-S1186 WeakPolarHBondContact O-CB 3.38Å; L1183-S1186 PolarHBondContact O-N 3.34Å; L1183-S1186 PolarHBondContact O-OG 3.36Å; L1183-L1191 HydrophobicContact CD2-CB 4.11Å; L1183-L1191 HydrophobicContact CD2-CD2 4.49Å; L1183-R1192 WeakPolarHBondContact O-CA 3.49Å; L1183-A1198 HydrophobicContact CD1-CB 3.68Å; L1183-A1205 HydrophobicContact CD1-CB 4.48Å; L1183-L1208 HydrophobicContact CD2-CB 3.9Å; L1183-L1208 HydrophobicContact CD2-CD1 4.06Å; L1183-A1212 HydrophobicContact CD2-CB 3.77Å; L1183-A1212 HydrophobicContact CG-CB 4.06Å |
| 1184 | K | 83.2 | Confident | 81.6 | Confident | 68 Ų | 68 | 23 Ų | 23 | 30% | 0.296 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -61.2 | -44.7 | -179.7 | -171.7 | -174.4 | 179.1 | 179.8 | 0 | 112.8 | I1180 E1181 S1186 R1192 Y1195 | I1180-K1184 PolarHBondContact O-N 3.03Å; E1181-K1184 PolarHBondContact O-N 3.21Å; E1181-K1184 IonicContact OE1-NZ 3.46Å; E1181-K1184 WeakPolarHBondContact OE2-CD 3.44Å; E1181-K1184 IonicContact OE2-NZ 3.91Å; K1184-S1186 VanDerWaalsContact C-N 3.33Å; K1184-R1192 WeakPolarHBondContact O-CG 3.47Å; K1184-Y1195 HydrophobicContact CB-CD2 3.62Å; K1184-Y1195 HydrophobicContact CB-CE2 3.82Å; K1184-Y1195 HydrophobicContact CB-CG 4.12Å; K1184-Y1195 HydrophobicContact CD-CD2 4.41Å; K1184-Y1195 HydrophobicContact CD-CE2 3.79Å; K1184-Y1195 HydrophobicContact CG-CD2 4.11Å; K1184-Y1195 HydrophobicContact CG-CE1 4.5Å; K1184-Y1195 HydrophobicContact CG-CE2 3.96Å; K1184-Y1195 HydrophobicContact CG-CG 4.39Å |
| 1185 | E | 80.4 | Confident | 81.8 | Confident | 37 Ų | 37 | 24.6 Ų | 24.6 | 17% | 0.173 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -87.2 | -1.8 | -178.1 | -66.7 | -62.7 | 138.7 | 0 | 0 | 113.2 | C1151 N1152 L1156 E1181 | C1151-E1185 PolarHBondContact SG-O 2.76Å; N1152-E1185 WeakPolarHBondContact CB-OE2 3.17Å; N1152-E1185 PolarHBondContact N-OE2 3.43Å; L1156-E1185 HydrophobicContact CD1-CB 4.47Å; E1181-E1185 PolarHBondContact O-N 3.34Å |
| 1186 | S | 82.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -58.5 | 136.1 | -178.2 | 69.2 | 0 | 0 | 0 | 0 | 111.6 | L1182 L1183 K1184 V1188 R1192 S1215 | L1182-S1186 WeakPolarHBondContact O-CB 3.49Å; L1182-S1186 PolarHBondContact O-N 3.46Å; L1183-S1186 WeakPolarHBondContact O-CB 3.38Å; L1183-S1186 PolarHBondContact O-N 3.34Å; L1183-S1186 PolarHBondContact O-OG 3.36Å; K1184-S1186 VanDerWaalsContact C-N 3.33Å; S1186-V1188 PolarHBondContact O-N 3.32Å; S1186-V1188 PolarHBondContact OG-O 2.96Å; S1186-R1192 PolarHBondContact O-NE 3.27Å; S1186-R1192 VanDerWaalsContact O-NE 3.11Å; S1186-R1192 PolarHBondContact O-NH2 2.64Å; S1186-R1192 PolarHBondContact OG-N 3.43Å; S1186-S1215 WeakPolarHBondContact CB-OG 2.82Å | ||
| 1187 | P | 79.7 | Confident | 82.1 | Confident | 40 Ų | 40 | 23.5 Ų | 23.5 | 26% | 0.26 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -70.2 | -14.5 | 178.1 | 27.8 | -33.8 | 0 | 0 | 0 | 112.6 | ||
| 1188 | V | 82.4 | Confident | 82.4 | Confident | 23 Ų | 23 | 20.9 Ų | 20.9 | 14% | 0.139 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -91.1 | 118.4 | -176.5 | -178 | 0 | 0 | 0 | 0 | 110.2 | F841 S1186 A1190 L1191 R1192 | F841-V1188 HydrophobicContact CB-CG1 3.96Å; F841-V1188 HydrophobicContact CD2-CG1 4.33Å; F841-V1188 HydrophobicContact CD2-CG2 3.64Å; F841-V1188 HydrophobicContact CE2-CG2 4.05Å; F841-V1188 HydrophobicContact CG-CG2 4.38Å; S1186-V1188 PolarHBondContact O-N 3.32Å; S1186-V1188 PolarHBondContact OG-O 2.96Å; V1188-A1190 HydrophobicContact CG1-CB 4.22Å; V1188-A1190 PolarHBondContact O-N 3.05Å; V1188-L1191 HydrophobicContact CB-CD1 4.39Å; V1188-L1191 HydrophobicContact CB-CG 4.48Å; V1188-L1191 HydrophobicContact CG1-CG 4.49Å; V1188-L1191 PolarHBondContact O-N 2.86Å; V1188-R1192 PolarHBondContact O-N 3.39Å; V1188-R1192 VanDerWaalsContact O-N 3.14Å |
| 1189 | P | 81.6 | Confident | 82.1 | Confident | 31 Ų | 31 | 23.8 Ų | 23.8 | 20% | 0.201 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58 | -33.5 | -177.8 | -26 | 34.6 | 0 | 0 | 0 | 114.1 | F871 V1146 R1192 S1193 | F871-P1189 HydrophobicContact CE1-CB 4.12Å; V1146-P1189 HydrophobicContact CG1-CB 4.04Å; V1146-P1189 HydrophobicContact CG1-CG 3.57Å; P1189-R1192 PolarHBondContact O-N 2.8Å; P1189-S1193 PolarHBondContact O-N 3.1Å |
| 1190 | A | 81.6 | Confident | 81.5 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 2% | 0.017 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.3 | -45.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | P842 A845 I872 V1188 S1193 C1194 | P842-A1190 HydrophobicContact CB-CB 4Å; P842-A1190 HydrophobicContact CG-CB 4.09Å; A845-A1190 HydrophobicContact CB-CB 4.46Å; I872-A1190 HydrophobicContact CG1-CB 4.02Å; I872-A1190 HydrophobicContact CG2-CB 4.25Å; V1188-A1190 HydrophobicContact CG1-CB 4.22Å; V1188-A1190 PolarHBondContact O-N 3.05Å; A1190-S1193 PolarHBondContact O-N 2.68Å; A1190-S1193 PolarHBondContact O-OG 2.98Å; A1190-C1194 PolarHBondContact O-SG 3.38Å; A1190-C1194 VanDerWaalsContact O-SG 3.37Å |
| 1191 | L | 83.3 | Confident | 81 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.7 | -39 | 176.2 | -65.4 | 177.2 | 0 | 0 | 0 | 111.4 | F841 A845 L1183 V1188 S1193 C1194 L1208 | F841-L1191 HydrophobicContact CB-CD1 4.13Å; F841-L1191 HydrophobicContact CB-CG 4.22Å; F841-L1191 HydrophobicContact CD1-CD1 3.98Å; F841-L1191 HydrophobicContact CG-CD1 4.1Å; A845-L1191 HydrophobicContact CB-CD2 4.42Å; L1183-L1191 HydrophobicContact CD2-CB 4.11Å; L1183-L1191 HydrophobicContact CD2-CD2 4.49Å; V1188-L1191 HydrophobicContact CB-CD1 4.39Å; V1188-L1191 HydrophobicContact CB-CG 4.48Å; V1188-L1191 HydrophobicContact CG1-CG 4.49Å; V1188-L1191 PolarHBondContact O-N 2.86Å; L1191-S1193 VanDerWaalsContact C-N 3.29Å; L1191-S1193 PolarHBondContact O-N 3.35Å; L1191-C1194 WeakPolarHBondContact O-CB 3.47Å; L1191-C1194 PolarHBondContact O-N 3Å; L1191-L1208 HydrophobicContact CD2-CD1 4.4Å; L1191-L1208 HydrophobicContact CD2-CD2 4.29Å |
| 1192 | R | 85.4 | Confident | 80.5 | Confident | 62 Ų | 62 | 30.8 Ų | 30.8 | 23% | 0.234 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.5 | -35.9 | 176.8 | -163.8 | -177.9 | -51.6 | 162.9 | 5.8 | 113.2 | S1149 L1183 K1184 S1186 V1188 P1189 C1194 Y1195 | S1149-R1192 PolarHBondContact OG-NH1 3.45Å; L1183-R1192 WeakPolarHBondContact O-CA 3.49Å; K1184-R1192 WeakPolarHBondContact O-CG 3.47Å; S1186-R1192 PolarHBondContact O-NE 3.27Å; S1186-R1192 VanDerWaalsContact O-NE 3.11Å; S1186-R1192 PolarHBondContact O-NH2 2.64Å; S1186-R1192 PolarHBondContact OG-N 3.43Å; V1188-R1192 PolarHBondContact O-N 3.39Å; V1188-R1192 VanDerWaalsContact O-N 3.14Å; P1189-R1192 PolarHBondContact O-N 2.8Å; R1192-C1194 PolarHBondContact O-N 3.34Å; R1192-Y1195 VanDerWaalsContact O-CB 3.24Å; R1192-Y1195 WeakPolarHBondContact O-CB 3.33Å; R1192-Y1195 PolarHBondContact O-N 2.87Å |
| 1193 | S | 82 | Confident | 80.1 | Confident | 19 Ų | 19 | 34.4 Ų | 34.4 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.5 | -27.9 | 176.5 | 75.3 | 0 | 0 | 0 | 0 | 112.9 | I872 P1189 A1190 L1191 Y1195 | I872-S1193 WeakPolarHBondContact CG1-OG 3.18Å; P1189-S1193 PolarHBondContact O-N 3.1Å; A1190-S1193 PolarHBondContact O-N 2.68Å; A1190-S1193 PolarHBondContact O-OG 2.98Å; L1191-S1193 VanDerWaalsContact C-N 3.29Å; L1191-S1193 PolarHBondContact O-N 3.35Å; S1193-Y1195 VanDerWaalsContact C-N 3.27Å; S1193-Y1195 PolarHBondContact O-N 2.9Å |
| 1194 | C | 84.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -73.8 | -16.2 | 178.2 | -60.1 | 0 | 0 | 0 | 0 | 112.9 | A1190 L1191 R1192 A1196 V1197 A1198 L1204 L1208 | A1190-C1194 PolarHBondContact O-SG 3.38Å; A1190-C1194 VanDerWaalsContact O-SG 3.37Å; L1191-C1194 WeakPolarHBondContact O-CB 3.47Å; L1191-C1194 PolarHBondContact O-N 3Å; R1192-C1194 PolarHBondContact O-N 3.34Å; C1194-A1196 VanDerWaalsContact C-N 3.33Å; C1194-A1196 PolarHBondContact O-N 2.58Å; C1194-V1197 PolarHBondContact O-N 3.18Å; C1194-V1197 VanDerWaalsContact O-N 3.07Å; C1194-A1198 WeakPolarHBondContact O-CB 3.29Å; C1194-A1198 PolarHBondContact O-N 2.97Å; C1194-L1204 HydrophobicContact CB-CD2 4.23Å; C1194-L1208 HydrophobicContact CB-CD1 3.71Å |
| 1195 | Y | 84.9 | Confident | 79.5 | Confident | 51 Ų | 51 | 31.3 Ų | 31.3 | 20% | 0.2 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.6 | -47.1 | 178.4 | 163 | -101.5 | 0 | 0 | 0 | 112.6 | I1180 K1184 R1192 S1193 V1197 A1198 Q1199 | I1180-Y1195 HydrophobicContact CG2-CD2 3.88Å; I1180-Y1195 HydrophobicContact CG2-CE2 3.7Å; K1184-Y1195 HydrophobicContact CB-CD2 3.62Å; K1184-Y1195 HydrophobicContact CB-CE2 3.82Å; K1184-Y1195 HydrophobicContact CB-CG 4.12Å; K1184-Y1195 HydrophobicContact CD-CD2 4.41Å; K1184-Y1195 HydrophobicContact CD-CE2 3.79Å; K1184-Y1195 HydrophobicContact CG-CD2 4.11Å; K1184-Y1195 HydrophobicContact CG-CE1 4.5Å; K1184-Y1195 HydrophobicContact CG-CE2 3.96Å; K1184-Y1195 HydrophobicContact CG-CG 4.39Å; R1192-Y1195 VanDerWaalsContact O-CB 3.24Å; R1192-Y1195 WeakPolarHBondContact O-CB 3.33Å; R1192-Y1195 PolarHBondContact O-N 2.87Å; S1193-Y1195 VanDerWaalsContact C-N 3.27Å; S1193-Y1195 PolarHBondContact O-N 2.9Å; Y1195-V1197 PolarHBondContact O-N 3.07Å; Y1195-A1198 PolarHBondContact O-N 3.04Å; Y1195-A1198 VanDerWaalsContact O-N 3.16Å; Y1195-Q1199 HydrophobicContact CD2-CG 4.17Å; Y1195-Q1199 HydrophobicContact CE1-CG 4.44Å; Y1195-Q1199 HydrophobicContact CE2-CG 3.78Å; Y1195-Q1199 WeakPolarHBondContact O-CG 3.46Å; Y1195-Q1199 PolarHBondContact O-N 3.43Å; Y1195-Q1199 VanDerWaalsContact OH-CD 3.32Å; Y1195-Q1199 PolarHBondContact OH-NE2 2.88Å; Y1195-Q1199 PolarHBondContact OH-OE1 3.47Å |
| 1196 | A | 80.5 | Confident | 79.1 | Confident | 50 Ų | 50 | 31.7 Ų | 31.7 | 41% | 0.413 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.1 | -27.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C1194 | C1194-A1196 VanDerWaalsContact C-N 3.33Å; C1194-A1196 PolarHBondContact O-N 2.58Å |
| 1197 | V | 80.7 | Confident | 78.7 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -80.4 | -45.3 | 174.2 | -175.9 | 0 | 0 | 0 | 0 | 110 | L849 I852 V865 A868 C1194 Y1195 Q1199 N1200 Y1201 L1204 | L849-V1197 HydrophobicContact CD2-CB 4.5Å; L849-V1197 HydrophobicContact CD2-CG1 4.39Å; L849-V1197 HydrophobicContact CD2-CG2 4.13Å; I852-V1197 HydrophobicContact CD1-CG1 4.35Å; V865-V1197 HydrophobicContact CG2-CG1 3.71Å; V865-V1197 HydrophobicContact CG2-CG2 4.01Å; A868-V1197 HydrophobicContact CB-CG2 4.3Å; C1194-V1197 PolarHBondContact O-N 3.18Å; C1194-V1197 VanDerWaalsContact O-N 3.07Å; Y1195-V1197 PolarHBondContact O-N 3.07Å; V1197-Q1199 VanDerWaalsContact C-N 3.29Å; V1197-Q1199 PolarHBondContact O-N 2.91Å; V1197-N1200 PolarHBondContact O-N 2.7Å; V1197-N1200 VanDerWaalsContact O-N 3.08Å; V1197-Y1201 PolarHBondContact O-N 3.47Å; V1197-L1204 HydrophobicContact CB-CD2 3.68Å; V1197-L1204 HydrophobicContact CG1-CD2 3.5Å; V1197-L1204 VanDerWaalsContact CG1-CD2 3.5Å |
| 1198 | A | 80.2 | Confident | 78.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.2 | -29.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1183 C1194 Y1195 N1200 Y1201 L1204 A1205 | L1183-A1198 HydrophobicContact CD1-CB 3.68Å; C1194-A1198 WeakPolarHBondContact O-CB 3.29Å; C1194-A1198 PolarHBondContact O-N 2.97Å; Y1195-A1198 PolarHBondContact O-N 3.04Å; Y1195-A1198 VanDerWaalsContact O-N 3.16Å; A1198-N1200 VanDerWaalsContact C-N 3.31Å; A1198-N1200 PolarHBondContact O-N 3.35Å; A1198-Y1201 CarbonylContact O-C 3.59Å; A1198-L1204 HydrophobicContact CB-CD2 4.43Å; A1198-A1205 HydrophobicContact CB-CB 4.06Å |
| 1199 | Q | 75.9 | Confident | 78.9 | Confident | 63 Ų | 63 | 30.3 Ų | 30.3 | 29% | 0.294 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -35.7 | 173.5 | -74.8 | -166.3 | -60.6 | 0 | 0 | 113 | T87 I1180 Y1195 V1197 | T87-Q1199 PolarHBondContact OG1-O 3.09Å; I1180-Q1199 HydrophobicContact CG2-CG 3.98Å; Y1195-Q1199 HydrophobicContact CD2-CG 4.17Å; Y1195-Q1199 HydrophobicContact CE1-CG 4.44Å; Y1195-Q1199 HydrophobicContact CE2-CG 3.78Å; Y1195-Q1199 WeakPolarHBondContact O-CG 3.46Å; Y1195-Q1199 PolarHBondContact O-N 3.43Å; Y1195-Q1199 VanDerWaalsContact OH-CD 3.32Å; Y1195-Q1199 PolarHBondContact OH-NE2 2.88Å; Y1195-Q1199 PolarHBondContact OH-OE1 3.47Å; V1197-Q1199 VanDerWaalsContact C-N 3.29Å; V1197-Q1199 PolarHBondContact O-N 2.91Å |
| 1200 | N | 71.8 | Confident | 79 | Confident | 90 Ų | 90 | 29.4 Ų | 29.4 | 48% | 0.481 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -32.4 | -179.7 | -64.5 | -23 | 0 | 0 | 0 | 111.5 | V1197 A1198 | V1197-N1200 PolarHBondContact O-N 2.7Å; V1197-N1200 VanDerWaalsContact O-N 3.08Å; A1198-N1200 VanDerWaalsContact C-N 3.31Å; A1198-N1200 PolarHBondContact O-N 3.35Å |
| 1201 | Y | 72.6 | Confident | 78.9 | Confident | 63 Ų | 63 | 29.3 Ų | 29.3 | 25% | 0.247 | 15% | 0.153 | C | C | . | . | trans | -122.5 | 92.5 | -179.4 | -175 | -114.4 | 0 | 0 | 0 | 110.8 | I852 L858 V1197 A1198 Q1203 L1204 | I852-Y1201 HydrophobicContact CD1-CD1 3.97Å; I852-Y1201 HydrophobicContact CD1-CE1 4.14Å; I852-Y1201 HydrophobicContact CG1-CE1 4.29Å; L858-Y1201 HydrophobicContact CD1-CE2 4.44Å; L858-Y1201 HydrophobicContact CD2-CE2 4.34Å; V1197-Y1201 PolarHBondContact O-N 3.47Å; A1198-Y1201 CarbonylContact O-C 3.59Å; Y1201-Q1203 HydrophobicContact CD1-CB 4.33Å; Y1201-Q1203 HydrophobicContact CE1-CB 3.68Å; Y1201-Q1203 HydrophobicContact CE1-CG 4.36Å; Y1201-Q1203 HydrophobicContact CE2-CB 4.18Å; Y1201-Q1203 PolarHBondContact O-N 2.98Å; Y1201-L1204 HydrophobicContact CD1-CB 3.82Å; Y1201-L1204 HydrophobicContact CE1-CB 4.4Å; Y1201-L1204 PolarHBondContact O-N 2.88Å | ||
| 1202 | S | 70 | Confident | 78.9 | Confident | 40 Ų | 40 | 29.3 Ų | 29.3 | 28% | 0.28 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -65 | -22.2 | -170 | 66.4 | 0 | 0 | 0 | 0 | 115 | L1204 A1205 T1206 | S1202-L1204 VanDerWaalsContact C-N 3.32Å; S1202-L1204 PolarHBondContact O-N 3.49Å; S1202-A1205 VanDerWaalsContact O-CB 3.28Å; S1202-A1205 WeakPolarHBondContact O-CB 3.32Å; S1202-A1205 PolarHBondContact O-N 2.88Å; S1202-A1205 VanDerWaalsContact O-N 3.12Å; S1202-T1206 PolarHBondContact O-N 3.32Å |
| 1203 | Q | 73.7 | Confident | 78.9 | Confident | 83 Ų | 83 | 26.5 Ų | 26.5 | 39% | 0.388 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -66.5 | -33.8 | 177.8 | -173.7 | 61.9 | 36.3 | 0 | 0 | 111.9 | Y1201 A1205 T1206 D1207 | Y1201-Q1203 HydrophobicContact CD1-CB 4.33Å; Y1201-Q1203 HydrophobicContact CE1-CB 3.68Å; Y1201-Q1203 HydrophobicContact CE1-CG 4.36Å; Y1201-Q1203 HydrophobicContact CE2-CB 4.18Å; Y1201-Q1203 PolarHBondContact O-N 2.98Å; Q1203-A1205 PolarHBondContact O-N 2.81Å; Q1203-T1206 WeakPolarHBondContact CA-OG1 3.29Å; Q1203-T1206 PolarHBondContact NE2-OG1 3.36Å; Q1203-T1206 PolarHBondContact O-N 2.69Å; Q1203-T1206 PolarHBondContact O-OG1 3.09Å; Q1203-D1207 PolarHBondContact NE2-OD1 3.25Å; Q1203-D1207 WeakPolarHBondContact O-CB 3.46Å; Q1203-D1207 PolarHBondContact O-N 3.39Å |
| 1204 | L | 78.4 | Confident | 78.8 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.7 | -31.2 | 173.8 | -178.7 | 66.4 | 0 | 0 | 0 | 111.9 | N848 L849 I852 C1194 V1197 A1198 Y1201 S1202 D1207 L1208 | N848-L1204 HydrophobicContact CB-CD1 3.63Å; L849-L1204 HydrophobicContact CD2-CD2 4.2Å; I852-L1204 HydrophobicContact CD1-CD1 4.28Å; I852-L1204 HydrophobicContact CD1-CD2 4.26Å; C1194-L1204 HydrophobicContact CB-CD2 4.23Å; V1197-L1204 HydrophobicContact CB-CD2 3.68Å; V1197-L1204 HydrophobicContact CG1-CD2 3.5Å; V1197-L1204 VanDerWaalsContact CG1-CD2 3.5Å; A1198-L1204 HydrophobicContact CB-CD2 4.43Å; Y1201-L1204 HydrophobicContact CD1-CB 3.82Å; Y1201-L1204 HydrophobicContact CE1-CB 4.4Å; Y1201-L1204 PolarHBondContact O-N 2.88Å; S1202-L1204 VanDerWaalsContact C-N 3.32Å; S1202-L1204 PolarHBondContact O-N 3.49Å; L1204-D1207 PolarHBondContact O-N 3.24Å; L1204-L1208 HydrophobicContact CD1-CD1 3.77Å; L1204-L1208 HydrophobicContact CD1-CG 4.01Å; L1204-L1208 HydrophobicContact CG-CD1 3.96Å; L1204-L1208 HydrophobicContact CG-CG 4.44Å; L1204-L1208 WeakPolarHBondContact O-CB 3.41Å; L1204-L1208 WeakPolarHBondContact O-CG 3.32Å; L1204-L1208 PolarHBondContact O-N 3.21Å |
| 1205 | A | 76.7 | Confident | 78.7 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.6 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1179 I1180 L1183 A1198 S1202 Q1203 F1209 | S1179-A1205 VanDerWaalsContact OG-CB 3.29Å; S1179-A1205 WeakPolarHBondContact OG-CB 3.26Å; I1180-A1205 HydrophobicContact CG1-CB 3.8Å; L1183-A1205 HydrophobicContact CD1-CB 4.48Å; A1198-A1205 HydrophobicContact CB-CB 4.06Å; S1202-A1205 VanDerWaalsContact O-CB 3.28Å; S1202-A1205 WeakPolarHBondContact O-CB 3.32Å; S1202-A1205 PolarHBondContact O-N 2.88Å; S1202-A1205 VanDerWaalsContact O-N 3.12Å; Q1203-A1205 PolarHBondContact O-N 2.81Å; A1205-F1209 PolarHBondContact O-N 3.42Å; A1205-F1209 VanDerWaalsContact O-N 3.07Å |
| 1206 | T | 73.5 | Confident | 78.7 | Confident | 46 Ų | 46 | 23.7 Ų | 23.7 | 28% | 0.282 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -67.6 | -37.6 | 174.4 | 46 | 0 | 0 | 0 | 0 | 112 | S1202 Q1203 F1209 | S1202-T1206 PolarHBondContact O-N 3.32Å; Q1203-T1206 WeakPolarHBondContact CA-OG1 3.29Å; Q1203-T1206 PolarHBondContact NE2-OG1 3.36Å; Q1203-T1206 PolarHBondContact O-N 2.69Å; Q1203-T1206 PolarHBondContact O-OG1 3.09Å; T1206-F1209 VanDerWaalsContact O-CB 3.28Å; T1206-F1209 WeakPolarHBondContact O-CB 3.27Å; T1206-F1209 PolarHBondContact O-N 2.99Å |
| 1207 | D | 72.9 | Confident | 78.8 | Confident | 26 Ų | 26 | 22.1 Ų | 22.1 | 14% | 0.139 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.4 | -37.2 | -177.7 | -65.7 | -14.3 | 0 | 0 | 0 | 112.6 | S815 Q1203 L1204 | S815-D1207 WeakPolarHBondContact CB-OD1 3.45Å; S815-D1207 WeakPolarHBondContact OG-CA 3.46Å; S815-D1207 PolarHBondContact OG-OD1 3.02Å; S815-D1207 VanDerWaalsContact OG-OD1 3.11Å; Q1203-D1207 PolarHBondContact NE2-OD1 3.25Å; Q1203-D1207 WeakPolarHBondContact O-CB 3.46Å; Q1203-D1207 PolarHBondContact O-N 3.39Å; L1204-D1207 PolarHBondContact O-N 3.24Å |
| 1208 | L | 82.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -89.3 | -2.6 | 176.7 | -61.9 | 178.6 | 0 | 0 | 0 | 113.4 | L844 L1183 L1191 C1194 L1204 N1210 S1211 A1212 | L844-L1208 HydrophobicContact CD2-CD2 3.97Å; L844-L1208 HydrophobicContact CG-CD2 3.94Å; L1183-L1208 HydrophobicContact CD2-CB 3.9Å; L1183-L1208 HydrophobicContact CD2-CD1 4.06Å; L1191-L1208 HydrophobicContact CD2-CD1 4.4Å; L1191-L1208 HydrophobicContact CD2-CD2 4.29Å; C1194-L1208 HydrophobicContact CB-CD1 3.71Å; L1204-L1208 HydrophobicContact CD1-CD1 3.77Å; L1204-L1208 HydrophobicContact CD1-CG 4.01Å; L1204-L1208 HydrophobicContact CG-CD1 3.96Å; L1204-L1208 HydrophobicContact CG-CG 4.44Å; L1204-L1208 WeakPolarHBondContact O-CB 3.41Å; L1204-L1208 WeakPolarHBondContact O-CG 3.32Å; L1204-L1208 PolarHBondContact O-N 3.21Å; L1208-N1210 PolarHBondContact O-N 2.89Å; L1208-S1211 PolarHBondContact O-N 3.2Å; L1208-S1211 VanDerWaalsContact O-N 3.1Å; L1208-S1211 PolarHBondContact O-OG 3.17Å; L1208-A1212 WeakPolarHBondContact O-CB 3.37Å; L1208-A1212 PolarHBondContact O-N 2.98Å |
| 1209 | F | 84.5 | Confident | 78.5 | Confident | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -51.7 | -50.9 | -173.8 | 173.3 | -114.4 | 0 | 0 | 0 | 113 | L1175 F1178 L1182 A1205 T1206 S1211 A1212 F1213 L1251 | L1175-F1209 HydrophobicContact CD1-CE1 4.21Å; L1175-F1209 HydrophobicContact CD1-CE2 4.1Å; L1175-F1209 HydrophobicContact CD1-CZ 3.92Å; F1178-F1209 AromaticContact CD1-CE2 3.58Å; F1178-F1209 HydrophobicContact CD1-CE2 3.58Å; F1178-F1209 HydrophobicContact CD1-CZ 4.08Å; F1178-F1209 AromaticContact CE1-CE2 3.72Å; F1178-F1209 HydrophobicContact CE1-CE2 3.72Å; F1178-F1209 AromaticContact CE1-CZ 3.99Å; F1178-F1209 HydrophobicContact CE1-CZ 3.99Å; L1182-F1209 HydrophobicContact CD1-CD2 4.07Å; L1182-F1209 HydrophobicContact CD1-CE2 3.75Å; A1205-F1209 PolarHBondContact O-N 3.42Å; A1205-F1209 VanDerWaalsContact O-N 3.07Å; T1206-F1209 VanDerWaalsContact O-CB 3.28Å; T1206-F1209 WeakPolarHBondContact O-CB 3.27Å; T1206-F1209 PolarHBondContact O-N 2.99Å; F1209-S1211 VanDerWaalsContact C-N 3.32Å; F1209-S1211 PolarHBondContact O-N 3.03Å; F1209-A1212 PolarHBondContact O-N 3.37Å; F1209-F1213 HydrophobicContact CZ-CD2 4.49Å; F1209-F1213 WeakPolarHBondContact O-CB 3.43Å; F1209-F1213 PolarHBondContact O-N 3.41Å; F1209-L1251 HydrophobicContact CE1-CB 4.25Å; F1209-L1251 HydrophobicContact CE1-CD2 4.07Å; F1209-L1251 HydrophobicContact CZ-CD2 4.16Å |
| 1210 | N | 82.9 | Confident | 78.7 | Confident | 11 Ų | 11 | 25.9 Ų | 25.9 | 6% | 0.059 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | -178 | -66.3 | -21.1 | 0 | 0 | 0 | 112 | A813 L1208 A1214 L1251 F1254 | A813-N1210 PolarHBondContact O-ND2 3.13Å; L1208-N1210 PolarHBondContact O-N 2.89Å; N1210-A1214 WeakPolarHBondContact O-CB 3.38Å; N1210-A1214 PolarHBondContact O-N 2.82Å; N1210-L1251 HydrophobicContact CB-CD1 4.38Å; N1210-F1254 HydrophobicContact CB-CB 4.11Å; N1210-F1254 HydrophobicContact CB-CD1 3.82Å; N1210-F1254 HydrophobicContact CB-CD2 4.15Å; N1210-F1254 HydrophobicContact CB-CE1 4.3Å; N1210-F1254 HydrophobicContact CB-CG 3.74Å; N1210-F1254 WeakPolarHBondContact O-CE1 3.39Å |
| 1211 | S | 79.6 | Confident | 79.2 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.5 | -41 | 177.7 | 72.3 | 0 | 0 | 0 | 0 | 112.7 | L1208 F1209 A1214 S1215 | L1208-S1211 PolarHBondContact O-N 3.2Å; L1208-S1211 VanDerWaalsContact O-N 3.1Å; L1208-S1211 PolarHBondContact O-OG 3.17Å; F1209-S1211 VanDerWaalsContact C-N 3.32Å; F1209-S1211 PolarHBondContact O-N 3.03Å; S1211-A1214 PolarHBondContact O-N 2.66Å; S1211-S1215 WeakPolarHBondContact O-CB 3.4Å; S1211-S1215 PolarHBondContact O-N 2.86Å |
| 1212 | A | 83.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -46.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1182 L1183 L1208 F1209 S1215 C1216 | L1182-A1212 HydrophobicContact CB-CB 3.85Å; L1183-A1212 HydrophobicContact CD2-CB 3.77Å; L1183-A1212 HydrophobicContact CG-CB 4.06Å; L1208-A1212 WeakPolarHBondContact O-CB 3.37Å; L1208-A1212 PolarHBondContact O-N 2.98Å; F1209-A1212 PolarHBondContact O-N 3.37Å; A1212-S1215 PolarHBondContact O-N 3.29Å; A1212-S1215 PolarHBondContact O-OG 3.16Å; A1212-C1216 PolarHBondContact O-N 2.66Å; A1212-C1216 VanDerWaalsContact O-N 3.09Å |
| 1213 | F | 85.5 | Confident | 80.1 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.009 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59 | -50.5 | 175.7 | -172.3 | -77.6 | 0 | 0 | 0 | 111.5 | F1178 L1182 F1209 S1215 C1216 W1217 L1228 L1232 L1251 I1255 | F1178-F1213 HydrophobicContact CE1-CD2 4.11Å; F1178-F1213 HydrophobicContact CE1-CE2 4.28Å; F1178-F1213 HydrophobicContact CZ-CD2 4.14Å; F1178-F1213 HydrophobicContact CZ-CE2 4.15Å; L1182-F1213 HydrophobicContact CD1-CB 4.13Å; L1182-F1213 HydrophobicContact CD1-CD2 4.1Å; F1209-F1213 HydrophobicContact CZ-CD2 4.49Å; F1209-F1213 WeakPolarHBondContact O-CB 3.43Å; F1209-F1213 PolarHBondContact O-N 3.41Å; F1213-S1215 VanDerWaalsContact C-N 3.27Å; F1213-S1215 PolarHBondContact O-N 3.32Å; F1213-C1216 PolarHBondContact O-N 3.44Å; F1213-W1217 HydrophobicContact CD1-CB 4.14Å; F1213-W1217 HydrophobicContact CE1-CB 4.04Å; F1213-W1217 AromaticContact CE1-CD2 3.96Å; F1213-W1217 HydrophobicContact CE1-CD2 3.96Å; F1213-W1217 AromaticContact CE1-CE3 3.59Å; F1213-W1217 HydrophobicContact CE1-CE3 3.59Å; F1213-W1217 HydrophobicContact CE1-CG 4.16Å; F1213-W1217 HydrophobicContact CE1-CZ3 4.35Å; F1213-W1217 HydrophobicContact CZ-CD2 4.49Å; F1213-W1217 AromaticContact CZ-CE3 3.68Å; F1213-W1217 HydrophobicContact CZ-CE3 3.68Å; F1213-W1217 HydrophobicContact CZ-CZ3 4.09Å; F1213-W1217 VanDerWaalsContact O-CB 3.24Å; F1213-W1217 WeakPolarHBondContact O-CB 3.27Å; F1213-W1217 PolarHBondContact O-N 3.35Å; F1213-L1228 HydrophobicContact CE2-CD2 3.67Å; F1213-L1228 HydrophobicContact CE2-CG 4.31Å; F1213-L1228 HydrophobicContact CZ-CD2 3.7Å; F1213-L1228 HydrophobicContact CZ-CG 4.35Å; F1213-L1232 HydrophobicContact CE2-CD1 4.3Å; F1213-L1232 HydrophobicContact CZ-CD1 4.14Å; F1213-L1251 HydrophobicContact CB-CD1 3.73Å; F1213-L1251 HydrophobicContact CD1-CD1 3.63Å; F1213-L1251 HydrophobicContact CD1-CD2 3.96Å; F1213-L1251 HydrophobicContact CD1-CG 4.25Å; F1213-L1251 HydrophobicContact CD2-CD1 4.39Å; F1213-L1251 HydrophobicContact CD2-CD2 3.68Å; F1213-L1251 HydrophobicContact CE1-CD1 4.33Å; F1213-L1251 HydrophobicContact CE1-CD2 4.02Å; F1213-L1251 HydrophobicContact CE1-CG 4.5Å; F1213-L1251 HydrophobicContact CE2-CD2 3.73Å; F1213-L1251 HydrophobicContact CG-CD1 3.66Å; F1213-L1251 HydrophobicContact CG-CD2 3.79Å; F1213-L1251 HydrophobicContact CG-CG 4.33Å; F1213-L1251 HydrophobicContact CZ-CD2 3.9Å; F1213-I1255 HydrophobicContact CD1-CD1 3.7Å; F1213-I1255 HydrophobicContact CE1-CD1 3.56Å |
| 1214 | A | 80.8 | Confident | 80.4 | Confident | 7 Ų | 7 | 26.7 Ų | 26.7 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.3 | -37.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1210 S1211 W1217 T1218 F1254 | N1210-A1214 WeakPolarHBondContact O-CB 3.38Å; N1210-A1214 PolarHBondContact O-N 2.82Å; S1211-A1214 PolarHBondContact O-N 2.66Å; A1214-W1217 PolarHBondContact O-N 3.06Å; A1214-T1218 WeakPolarHBondContact O-CG2 3.28Å; A1214-T1218 PolarHBondContact O-N 3.47Å; A1214-F1254 HydrophobicContact CB-CD1 4.35Å; A1214-F1254 HydrophobicContact CB-CE1 3.72Å |
| 1215 | S | 81.9 | Confident | 80.6 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.7 | -47.2 | 176.3 | 81.1 | 0 | 0 | 0 | 0 | 112 | S1186 S1211 A1212 F1213 T1218 | S1186-S1215 WeakPolarHBondContact CB-OG 2.82Å; S1211-S1215 WeakPolarHBondContact O-CB 3.4Å; S1211-S1215 PolarHBondContact O-N 2.86Å; A1212-S1215 PolarHBondContact O-N 3.29Å; A1212-S1215 PolarHBondContact O-OG 3.16Å; F1213-S1215 VanDerWaalsContact C-N 3.27Å; F1213-S1215 PolarHBondContact O-N 3.32Å; S1215-T1218 PolarHBondContact O-OG1 3.03Å |
| 1216 | C | 83.2 | Confident | 80.9 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.02 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.4 | -38.6 | 178.2 | -67.7 | 0 | 0 | 0 | 0 | 111.9 | L1182 A1212 F1213 T1218 A1219 L1220 | L1182-C1216 HydrophobicContact CD2-CB 3.9Å; A1212-C1216 PolarHBondContact O-N 2.66Å; A1212-C1216 VanDerWaalsContact O-N 3.09Å; F1213-C1216 PolarHBondContact O-N 3.44Å; C1216-T1218 VanDerWaalsContact C-N 3.27Å; C1216-T1218 PolarHBondContact O-N 3.13Å; C1216-A1219 PolarHBondContact O-N 3.39Å; C1216-L1220 WeakPolarHBondContact O-CG 3.1Å; C1216-L1220 PolarHBondContact O-N 2.9Å |
| 1217 | W | 82.6 | Confident | 81.3 | Confident | 18 Ų | 18 | 34.9 Ų | 34.9 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.4 | -41.2 | -179.6 | -175.7 | -101.8 | 0 | 0 | 0 | 112.4 | F1213 A1214 A1219 L1220 Q1225 L1228 I1229 L1263 | F1213-W1217 HydrophobicContact CD1-CB 4.14Å; F1213-W1217 HydrophobicContact CE1-CB 4.04Å; F1213-W1217 AromaticContact CE1-CD2 3.96Å; F1213-W1217 HydrophobicContact CE1-CD2 3.96Å; F1213-W1217 AromaticContact CE1-CE3 3.59Å; F1213-W1217 HydrophobicContact CE1-CE3 3.59Å; F1213-W1217 HydrophobicContact CE1-CG 4.16Å; F1213-W1217 HydrophobicContact CE1-CZ3 4.35Å; F1213-W1217 HydrophobicContact CZ-CD2 4.49Å; F1213-W1217 AromaticContact CZ-CE3 3.68Å; F1213-W1217 HydrophobicContact CZ-CE3 3.68Å; F1213-W1217 HydrophobicContact CZ-CZ3 4.09Å; F1213-W1217 VanDerWaalsContact O-CB 3.24Å; F1213-W1217 WeakPolarHBondContact O-CB 3.27Å; F1213-W1217 PolarHBondContact O-N 3.35Å; A1214-W1217 PolarHBondContact O-N 3.06Å; W1217-A1219 PolarHBondContact O-N 3.16Å; W1217-L1220 PolarHBondContact O-N 3.46Å; W1217-Q1225 HydrophobicContact CD2-CG 4.13Å; W1217-Q1225 HydrophobicContact CE3-CG 4.02Å; W1217-Q1225 HydrophobicContact CH2-CB 3.39Å; W1217-Q1225 HydrophobicContact CH2-CG 3.55Å; W1217-Q1225 HydrophobicContact CZ2-CB 3.81Å; W1217-Q1225 HydrophobicContact CZ2-CG 3.66Å; W1217-Q1225 HydrophobicContact CZ3-CB 3.87Å; W1217-Q1225 HydrophobicContact CZ3-CG 3.75Å; W1217-Q1225 PolarHBondContact O-NE2 3.37Å; W1217-L1228 HydrophobicContact CE3-CD2 4.01Å; W1217-L1228 HydrophobicContact CZ3-CB 4.43Å; W1217-L1228 HydrophobicContact CZ3-CD2 3.86Å; W1217-L1228 HydrophobicContact CZ3-CG 4.32Å; W1217-I1229 HydrophobicContact CH2-CD1 3.77Å; W1217-I1229 HydrophobicContact CH2-CG1 3.88Å; W1217-I1229 HydrophobicContact CZ2-CD1 4.39Å; W1217-I1229 HydrophobicContact CZ3-CG1 4.49Å; W1217-L1263 HydrophobicContact CH2-CD2 3.94Å; W1217-L1263 HydrophobicContact CZ2-CD2 3.85Å; W1217-L1263 HydrophobicContact CZ3-CD2 4.36Å |
| 1218 | T | 78.7 | Confident | 81.8 | Confident | 67 Ų | 67 | 33.9 Ų | 33.9 | 41% | 0.411 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -19.7 | 177.5 | 61.6 | 0 | 0 | 0 | 0 | 114.1 | A1214 S1215 C1216 K1260 | A1214-T1218 WeakPolarHBondContact O-CG2 3.28Å; A1214-T1218 PolarHBondContact O-N 3.47Å; S1215-T1218 PolarHBondContact O-OG1 3.03Å; C1216-T1218 VanDerWaalsContact C-N 3.27Å; C1216-T1218 PolarHBondContact O-N 3.13Å; T1218-K1260 HydrophobicContact CG2-CG 4.48Å |
| 1219 | A | 77.4 | Confident | 81.9 | Confident | 56 Ų | 56 | 34.3 Ų | 34.3 | 46% | 0.463 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -11.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C1216 W1217 | C1216-A1219 PolarHBondContact O-N 3.39Å; W1217-A1219 PolarHBondContact O-N 3.16Å |
| 1220 | L | 80.6 | Confident | 81.8 | Confident | 19 Ų | 19 | 40.8 Ų | 40.8 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -81.4 | 152.2 | -178.7 | -69.6 | 171.3 | 0 | 0 | 0 | 112.9 | L1153 W1160 C1216 W1217 A1224 Q1225 L1228 | L1153-L1220 HydrophobicContact CD1-CD2 3.83Å; L1153-L1220 HydrophobicContact CD2-CD2 4.41Å; L1153-L1220 HydrophobicContact CG-CD2 3.87Å; W1160-L1220 HydrophobicContact CH2-CD1 4.48Å; W1160-L1220 HydrophobicContact CZ3-CD1 4.06Å; C1216-L1220 WeakPolarHBondContact O-CG 3.1Å; C1216-L1220 PolarHBondContact O-N 2.9Å; W1217-L1220 PolarHBondContact O-N 3.46Å; L1220-A1224 HydrophobicContact CD2-CB 4.38Å; L1220-Q1225 HydrophobicContact CB-CG 4.02Å; L1220-L1228 HydrophobicContact CD1-CD2 4.26Å |
| 1221 | S | 81.2 | Confident | 81.8 | Confident | 56 Ų | 56 | 41.3 Ų | 41.3 | 39% | 0.392 | 23% | 0.227 | S | C | . | . | trans | -75.7 | 155.5 | 170.7 | 63.6 | 0 | 0 | 0 | 0 | 112 | S1223 A1224 Q1225 | S1221-S1223 VanDerWaalsContact C-N 3.26Å; S1221-S1223 PolarHBondContact O-N 2.8Å; S1221-S1223 PolarHBondContact OG-OG 2.98Å; S1221-S1223 VanDerWaalsContact OG-OG 3.13Å; S1221-A1224 WeakPolarHBondContact O-CB 3.45Å; S1221-A1224 PolarHBondContact O-N 3.11Å; S1221-Q1225 WeakPolarHBondContact O-CG 3.46Å; S1221-Q1225 PolarHBondContact O-N 2.93Å | ||
| 1222 | E | 80.1 | Confident | 81.9 | Confident | 157 Ų | 157 | 41.3 Ų | 41.3 | 73% | 0.734 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -56 | -37.2 | 178.6 | -73.1 | -178 | 167.8 | 0 | 0 | 113.2 | A1224 Q1225 N1226 | E1222-A1224 PolarHBondContact O-N 2.95Å; E1222-Q1225 PolarHBondContact O-N 2.91Å; E1222-N1226 PolarHBondContact O-N 2.95Å; E1222-N1226 PolarHBondContact O-ND2 2.87Å |
| 1223 | S | 81.5 | Confident | 81.9 | Confident | 81 Ų | 81 | 44.1 Ų | 44.1 | 57% | 0.566 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -63.4 | -40.7 | 176.5 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | S1221 N1226 E1227 | S1221-S1223 VanDerWaalsContact C-N 3.26Å; S1221-S1223 PolarHBondContact O-N 2.8Å; S1221-S1223 PolarHBondContact OG-OG 2.98Å; S1221-S1223 VanDerWaalsContact OG-OG 3.13Å; S1223-N1226 PolarHBondContact O-N 3.37Å; S1223-E1227 PolarHBondContact O-N 2.92Å |
| 1224 | A | 79.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.5 | -36.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1153 W1160 L1220 S1221 E1222 N1226 E1227 L1228 | L1153-A1224 HydrophobicContact CD2-CB 3.78Å; W1160-A1224 HydrophobicContact CH2-CB 4.12Å; W1160-A1224 WeakPolarHBondContact CH2-O 3.37Å; L1220-A1224 HydrophobicContact CD2-CB 4.38Å; S1221-A1224 WeakPolarHBondContact O-CB 3.45Å; S1221-A1224 PolarHBondContact O-N 3.11Å; E1222-A1224 PolarHBondContact O-N 2.95Å; A1224-N1226 VanDerWaalsContact C-N 3.34Å; A1224-E1227 PolarHBondContact O-N 2.75Å; A1224-L1228 PolarHBondContact O-N 2.89Å |
| 1225 | Q | 83.5 | Confident | 81.6 | Confident | 36 Ų | 36 | 47.5 Ų | 47.5 | 17% | 0.168 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 172.8 | -74.1 | -179.5 | -8.2 | 0 | 0 | 111.6 | W1217 L1220 S1221 E1222 L1228 I1229 | W1217-Q1225 HydrophobicContact CD2-CG 4.13Å; W1217-Q1225 HydrophobicContact CE3-CG 4.02Å; W1217-Q1225 HydrophobicContact CH2-CB 3.39Å; W1217-Q1225 HydrophobicContact CH2-CG 3.55Å; W1217-Q1225 HydrophobicContact CZ2-CB 3.81Å; W1217-Q1225 HydrophobicContact CZ2-CG 3.66Å; W1217-Q1225 HydrophobicContact CZ3-CB 3.87Å; W1217-Q1225 HydrophobicContact CZ3-CG 3.75Å; W1217-Q1225 PolarHBondContact O-NE2 3.37Å; L1220-Q1225 HydrophobicContact CB-CG 4.02Å; S1221-Q1225 WeakPolarHBondContact O-CG 3.46Å; S1221-Q1225 PolarHBondContact O-N 2.93Å; E1222-Q1225 PolarHBondContact O-N 2.91Å; Q1225-L1228 PolarHBondContact O-N 2.76Å; Q1225-I1229 VanDerWaalsContact O-CG1 3.32Å; Q1225-I1229 WeakPolarHBondContact O-CG1 3.21Å; Q1225-I1229 PolarHBondContact O-N 2.69Å |
| 1226 | N | 83.4 | Confident | 81.4 | Confident | 95 Ų | 95 | 47.4 Ų | 47.4 | 51% | 0.508 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.8 | -37 | 177.6 | -71.5 | -28.1 | 0 | 0 | 0 | 113.3 | E1222 S1223 A1224 K1230 | E1222-N1226 PolarHBondContact O-N 2.95Å; E1222-N1226 PolarHBondContact O-ND2 2.87Å; S1223-N1226 PolarHBondContact O-N 3.37Å; A1224-N1226 VanDerWaalsContact C-N 3.34Å; N1226-K1230 PolarHBondContact O-N 3.3Å |
| 1227 | E | 81.7 | Confident | 81.1 | Confident | 89 Ų | 89 | 50.5 Ų | 50.5 | 42% | 0.416 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 173 | -82.1 | 179.2 | -178.4 | 0 | 0 | 111.5 | K1157 W1160 S1223 A1224 I1229 K1230 C1231 | K1157-E1227 WeakPolarHBondContact CE-OE2 3.16Å; K1157-E1227 IonicContact NZ-OE1 3.45Å; K1157-E1227 PolarHBondContact NZ-OE1 3.23Å; K1157-E1227 IonicContact NZ-OE2 2.71Å; K1157-E1227 PolarHBondContact NZ-OE2 3.3Å; W1160-E1227 HydrophobicContact CZ2-CB 4.27Å; S1223-E1227 PolarHBondContact O-N 2.92Å; A1224-E1227 PolarHBondContact O-N 2.75Å; E1227-I1229 VanDerWaalsContact C-N 3.32Å; E1227-I1229 PolarHBondContact O-N 2.83Å; E1227-K1230 PolarHBondContact O-N 3.35Å; E1227-C1231 PolarHBondContact O-N 3.49Å; E1227-C1231 VanDerWaalsContact O-N 3.14Å |
| 1228 | L | 83.7 | Confident | 80.5 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 178.1 | 179.6 | 51.6 | 0 | 0 | 0 | 111.9 | W1160 F1178 F1213 W1217 L1220 A1224 Q1225 C1231 L1232 | W1160-L1228 HydrophobicContact CB-CD1 4.21Å; W1160-L1228 HydrophobicContact CD2-CB 4.38Å; W1160-L1228 HydrophobicContact CD2-CD1 3.98Å; W1160-L1228 HydrophobicContact CE3-CB 3.91Å; W1160-L1228 HydrophobicContact CE3-CD1 3.51Å; W1160-L1228 HydrophobicContact CE3-CD2 3.84Å; W1160-L1228 HydrophobicContact CE3-CG 3.94Å; W1160-L1228 HydrophobicContact CG-CD1 4.35Å; W1160-L1228 HydrophobicContact CH2-CB 3.9Å; W1160-L1228 HydrophobicContact CZ2-CB 4.39Å; W1160-L1228 HydrophobicContact CZ3-CB 3.66Å; W1160-L1228 HydrophobicContact CZ3-CD1 4.09Å; W1160-L1228 HydrophobicContact CZ3-CD2 3.62Å; W1160-L1228 HydrophobicContact CZ3-CG 3.99Å; F1178-L1228 HydrophobicContact CZ-CD1 4.05Å; F1213-L1228 HydrophobicContact CE2-CD2 3.67Å; F1213-L1228 HydrophobicContact CE2-CG 4.31Å; F1213-L1228 HydrophobicContact CZ-CD2 3.7Å; F1213-L1228 HydrophobicContact CZ-CG 4.35Å; W1217-L1228 HydrophobicContact CE3-CD2 4.01Å; W1217-L1228 HydrophobicContact CZ3-CB 4.43Å; W1217-L1228 HydrophobicContact CZ3-CD2 3.86Å; W1217-L1228 HydrophobicContact CZ3-CG 4.32Å; L1220-L1228 HydrophobicContact CD1-CD2 4.26Å; A1224-L1228 PolarHBondContact O-N 2.89Å; Q1225-L1228 PolarHBondContact O-N 2.76Å; L1228-C1231 WeakPolarHBondContact O-CB 3.23Å; L1228-C1231 PolarHBondContact O-N 2.91Å; L1228-C1231 VanDerWaalsContact O-N 3.16Å; L1228-L1232 HydrophobicContact CD1-CG 4.44Å; L1228-L1232 WeakPolarHBondContact O-CG 3.23Å; L1228-L1232 PolarHBondContact O-N 3.5Å |
| 1229 | I | 84.3 | Confident | 79.7 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.046 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 176.5 | -73.9 | 170 | 0 | 0 | 0 | 111.4 | W1217 Q1225 E1227 C1231 L1232 E1233 P1264 I1265 | W1217-I1229 HydrophobicContact CH2-CD1 3.77Å; W1217-I1229 HydrophobicContact CH2-CG1 3.88Å; W1217-I1229 HydrophobicContact CZ2-CD1 4.39Å; W1217-I1229 HydrophobicContact CZ3-CG1 4.49Å; Q1225-I1229 VanDerWaalsContact O-CG1 3.32Å; Q1225-I1229 WeakPolarHBondContact O-CG1 3.21Å; Q1225-I1229 PolarHBondContact O-N 2.69Å; E1227-I1229 VanDerWaalsContact C-N 3.32Å; E1227-I1229 PolarHBondContact O-N 2.83Å; I1229-C1231 PolarHBondContact O-N 2.93Å; I1229-L1232 CarbonylContact O-C 3.57Å; I1229-L1232 PolarHBondContact O-N 3.36Å; I1229-E1233 HydrophobicContact CG2-CG 4.27Å; I1229-E1233 WeakPolarHBondContact O-CG 3.34Å; I1229-E1233 PolarHBondContact O-N 2.97Å; I1229-P1264 HydrophobicContact CD1-CB 4.09Å; I1229-P1264 HydrophobicContact CD1-CG 3.41Å; I1229-P1264 VanDerWaalsContact CD1-CG 3.41Å; I1229-I1265 HydrophobicContact CG2-CG1 4.02Å |
| 1230 | K | 82.2 | Confident | 78.9 | Confident | 145 Ų | 145 | 54.3 Ų | 54.3 | 63% | 0.63 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -59.3 | -35.8 | 175.3 | -76.7 | -177.6 | 177.4 | 179.9 | 0 | 112.3 | N1226 E1227 T1234 | N1226-K1230 PolarHBondContact O-N 3.3Å; E1227-K1230 PolarHBondContact O-N 3.35Å; K1230-T1234 PolarHBondContact O-N 2.92Å; K1230-T1234 VanDerWaalsContact O-N 3.07Å; K1230-T1234 PolarHBondContact O-OG1 3.25Å |
| 1231 | C | 82.1 | Confident | 78.3 | Confident | 22 Ų | 22 | 53.7 Ų | 53.7 | 15% | 0.149 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 172.7 | -70.1 | 0 | 0 | 0 | 0 | 112.1 | W1160 V1162 E1227 L1228 I1229 T1234 A1235 | W1160-C1231 WeakPolarHBondContact O-CB 3.43Å; W1160-C1231 PolarHBondContact O-SG 3.31Å; V1162-C1231 HydrophobicContact CG2-CB 3.69Å; E1227-C1231 PolarHBondContact O-N 3.49Å; E1227-C1231 VanDerWaalsContact O-N 3.14Å; L1228-C1231 WeakPolarHBondContact O-CB 3.23Å; L1228-C1231 PolarHBondContact O-N 2.91Å; L1228-C1231 VanDerWaalsContact O-N 3.16Å; I1229-C1231 PolarHBondContact O-N 2.93Å; C1231-T1234 WeakPolarHBondContact CA-OG1 3.34Å; C1231-T1234 PolarHBondContact O-N 3.13Å; C1231-T1234 PolarHBondContact O-OG1 3.08Å; C1231-A1235 PolarHBondContact O-N 3.37Å |
| 1232 | L | 83 | Confident | 77.7 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.2 | -37.9 | 176.1 | -66.3 | 174.8 | 0 | 0 | 0 | 112.4 | W1174 F1213 L1228 I1229 A1235 L1236 I1248 | W1174-L1232 HydrophobicContact CH2-CD2 4.47Å; F1213-L1232 HydrophobicContact CE2-CD1 4.3Å; F1213-L1232 HydrophobicContact CZ-CD1 4.14Å; L1228-L1232 HydrophobicContact CD1-CG 4.44Å; L1228-L1232 WeakPolarHBondContact O-CG 3.23Å; L1228-L1232 PolarHBondContact O-N 3.5Å; I1229-L1232 CarbonylContact O-C 3.57Å; I1229-L1232 PolarHBondContact O-N 3.36Å; L1232-A1235 WeakPolarHBondContact O-CB 3.45Å; L1232-A1235 PolarHBondContact O-N 2.7Å; L1232-L1236 WeakPolarHBondContact O-CB 3.27Å; L1232-L1236 WeakPolarHBondContact O-CG 3.45Å; L1232-L1236 PolarHBondContact O-N 3.24Å; L1232-I1248 HydrophobicContact CD2-CD1 4.11Å; L1232-I1248 HydrophobicContact CD2-CG1 4.15Å |
| 1233 | E | 83.6 | Confident | 77.3 | Confident | 59 Ų | 59 | 48.4 Ų | 48.4 | 28% | 0.276 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 175.5 | -72.3 | 179.8 | 156.6 | 0 | 0 | 112.2 | I1229 A1235 L1236 S1237 I1265 L1269 | I1229-E1233 HydrophobicContact CG2-CG 4.27Å; I1229-E1233 WeakPolarHBondContact O-CG 3.34Å; I1229-E1233 PolarHBondContact O-N 2.97Å; E1233-A1235 VanDerWaalsContact C-N 3.34Å; E1233-L1236 PolarHBondContact O-N 3.22Å; E1233-S1237 WeakPolarHBondContact O-CB 3.38Å; E1233-S1237 PolarHBondContact O-N 3.08Å; E1233-S1237 PolarHBondContact O-OG 3.32Å; E1233-I1265 HydrophobicContact CG-CG2 4.35Å; E1233-L1269 HydrophobicContact CG-CD2 4.38Å |
| 1234 | T | 80.6 | Confident | 77.2 | Confident | 76 Ų | 76 | 44.7 Ų | 44.7 | 47% | 0.466 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.1 | -33.8 | 174.3 | 44.9 | 0 | 0 | 0 | 0 | 112.3 | K1230 C1231 | K1230-T1234 PolarHBondContact O-N 2.92Å; K1230-T1234 VanDerWaalsContact O-N 3.07Å; K1230-T1234 PolarHBondContact O-OG1 3.25Å; C1231-T1234 WeakPolarHBondContact CA-OG1 3.34Å; C1231-T1234 PolarHBondContact O-N 3.13Å; C1231-T1234 PolarHBondContact O-OG1 3.08Å |
| 1235 | A | 79.2 | Confident | 77.3 | Confident | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.5 | -45.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W1171 C1231 L1232 E1233 S1237 N1238 I1248 | W1171-A1235 HydrophobicContact CE3-CB 4.47Å; W1171-A1235 HydrophobicContact CH2-CB 3.82Å; W1171-A1235 HydrophobicContact CZ3-CB 3.49Å; W1171-A1235 VanDerWaalsContact CZ3-CB 3.49Å; C1231-A1235 PolarHBondContact O-N 3.37Å; L1232-A1235 WeakPolarHBondContact O-CB 3.45Å; L1232-A1235 PolarHBondContact O-N 2.7Å; E1233-A1235 VanDerWaalsContact C-N 3.34Å; A1235-S1237 VanDerWaalsContact C-N 3.28Å; A1235-S1237 PolarHBondContact O-N 2.88Å; A1235-N1238 PolarHBondContact O-N 3.16Å; A1235-I1248 HydrophobicContact CB-CD1 3.73Å |
| 1236 | L | 78 | Confident | 77 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -33.1 | 176.9 | -77.4 | 169.3 | 0 | 0 | 0 | 112.9 | L1232 E1233 N1238 T1245 I1248 I1265 L1269 L1270 K1273 | L1232-L1236 WeakPolarHBondContact O-CB 3.27Å; L1232-L1236 WeakPolarHBondContact O-CG 3.45Å; L1232-L1236 PolarHBondContact O-N 3.24Å; E1233-L1236 PolarHBondContact O-N 3.22Å; L1236-N1238 PolarHBondContact O-N 2.9Å; L1236-T1245 HydrophobicContact CD2-CG2 3.8Å; L1236-I1248 HydrophobicContact CD1-CG2 3.89Å; L1236-I1248 HydrophobicContact CD2-CB 4.04Å; L1236-I1248 HydrophobicContact CD2-CD1 4.39Å; L1236-I1248 HydrophobicContact CD2-CG2 3.82Å; L1236-I1248 HydrophobicContact CG-CB 4.45Å; L1236-I1248 HydrophobicContact CG-CD1 4.24Å; L1236-I1248 HydrophobicContact CG-CG2 3.87Å; L1236-I1265 HydrophobicContact CD1-CG2 4.42Å; L1236-L1269 HydrophobicContact CB-CD2 4.49Å; L1236-L1270 HydrophobicContact CD1-CD2 3.79Å; L1236-K1273 WeakPolarHBondContact O-CD 3.38Å; L1236-K1273 WeakPolarHBondContact O-CE 3.47Å |
| 1237 | S | 77 | Confident | 76.7 | Confident | 67 Ų | 67 | 40 Ų | 40 | 47% | 0.469 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -15.4 | -178.2 | -60.9 | 0 | 0 | 0 | 0 | 113.6 | E1233 A1235 | E1233-S1237 WeakPolarHBondContact O-CB 3.38Å; E1233-S1237 PolarHBondContact O-N 3.08Å; E1233-S1237 PolarHBondContact O-OG 3.32Å; A1235-S1237 VanDerWaalsContact C-N 3.28Å; A1235-S1237 PolarHBondContact O-N 2.88Å |
| 1238 | N | 69.7 | Low | 76.9 | Confident | 51 Ų | 51 | 35.8 Ų | 35.8 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | trans | -91.6 | 121.6 | -176.7 | -113.7 | -43.9 | 0 | 0 | 0 | 112.5 | W1171 A1235 L1236 E1240 | W1171-N1238 HydrophobicContact CZ2-CB 4.15Å; W1171-N1238 WeakPolarHBondContact CZ2-ND2 3.46Å; A1235-N1238 PolarHBondContact O-N 3.16Å; L1236-N1238 PolarHBondContact O-N 2.9Å; N1238-E1240 PolarHBondContact O-N 3.34Å | ||
| 1239 | P | 61.2 | Low | 76.8 | Confident | 82 Ų | 82 | 35.6 Ų | 35.6 | 53% | 0.532 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -2.6 | -170.8 | 31 | -34.9 | 0 | 0 | 0 | 115.9 | ||
| 1240 | E | 61.3 | Low | 76.6 | Confident | 89 Ų | 89 | 36.9 Ų | 36.9 | 42% | 0.416 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -12.2 | -168.6 | -62.9 | -157.8 | 164.5 | 0 | 0 | 116.1 | K177 N1238 | K177-E1240 WeakPolarHBondContact CE-OE1 3.44Å; K177-E1240 IonicContact NZ-OE1 2.68Å; K177-E1240 PolarHBondContact NZ-OE1 3.24Å; N1238-E1240 PolarHBondContact O-N 3.34Å |
| 1241 | C | 68.4 | Low | 76.7 | Confident | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.034 | 17% | 0.173 | C | C | . | . | trans | -134.2 | 90.4 | -172 | -169.3 | 0 | 0 | 0 | 0 | 111.5 | K1168 W1171 E1243 V1244 T1245 | K1168-C1241 HydrophobicContact CG-CB 4.29Å; W1171-C1241 HydrophobicContact CB-CB 4.11Å; W1171-C1241 HydrophobicContact CG-CB 4.48Å; C1241-E1243 PolarHBondContact O-N 3.06Å; C1241-E1243 PolarHBondContact SG-OE2 3.11Å; C1241-V1244 PolarHBondContact O-N 3.02Å; C1241-T1245 PolarHBondContact O-N 3.37Å; C1241-T1245 PolarHBondContact O-OG1 3.2Å | ||
| 1242 | P | 68.3 | Low | 76.7 | Confident | 39 Ų | 39 | 29 Ų | 29 | 25% | 0.253 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.8 | -26.5 | -179.5 | 25.6 | -33.3 | 0 | 0 | 0 | 112.3 | V1244 T1245 Q1246 T1277 A1464 | P1242-V1244 PolarHBondContact O-N 3.41Å; P1242-T1245 PolarHBondContact O-N 3.29Å; P1242-Q1246 VanDerWaalsContact O-CB 3.32Å; P1242-Q1246 WeakPolarHBondContact O-CB 3.38Å; P1242-Q1246 VanDerWaalsContact O-CG 3.27Å; P1242-Q1246 WeakPolarHBondContact O-CG 3.28Å; P1242-Q1246 PolarHBondContact O-N 2.96Å; P1242-T1277 HydrophobicContact CB-CG2 4.31Å; P1242-A1464 HydrophobicContact CB-CB 4.49Å; P1242-A1464 HydrophobicContact CG-CB 4.46Å |
| 1243 | E | 72.2 | Confident | 76.6 | Confident | 64 Ų | 64 | 29.1 Ų | 29.1 | 30% | 0.299 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 178.8 | -57.1 | 111.2 | 167.8 | 0 | 0 | 111.9 | K1168 C1241 Q1246 A1247 | K1168-E1243 VanDerWaalsContact CE-CD 3.44Å; K1168-E1243 WeakPolarHBondContact CE-OE1 3.29Å; K1168-E1243 WeakPolarHBondContact CE-OE2 3.41Å; K1168-E1243 IonicContact NZ-OE1 3.56Å; K1168-E1243 PolarHBondContact NZ-OE1 3.23Å; K1168-E1243 IonicContact NZ-OE2 3.15Å; C1241-E1243 PolarHBondContact O-N 3.06Å; C1241-E1243 PolarHBondContact SG-OE2 3.11Å; E1243-Q1246 PolarHBondContact O-N 2.87Å; E1243-A1247 WeakPolarHBondContact O-CB 3.48Å; E1243-A1247 PolarHBondContact O-N 3.14Å |
| 1244 | V | 78.6 | Confident | 76.4 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.1 | -42.5 | 177.9 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | W1171 W1174 L1175 C1241 P1242 Q1246 A1247 I1248 | W1171-V1244 HydrophobicContact CB-CG2 3.91Å; W1171-V1244 HydrophobicContact CE3-CG1 4.35Å; W1174-V1244 HydrophobicContact CZ3-CG1 4.12Å; L1175-V1244 HydrophobicContact CB-CG2 4.26Å; L1175-V1244 HydrophobicContact CD2-CG2 4.26Å; C1241-V1244 PolarHBondContact O-N 3.02Å; P1242-V1244 PolarHBondContact O-N 3.41Å; V1244-Q1246 VanDerWaalsContact C-N 3.28Å; V1244-Q1246 PolarHBondContact O-N 3.28Å; V1244-A1247 PolarHBondContact O-N 3.44Å; V1244-I1248 HydrophobicContact CG1-CD1 3.86Å; V1244-I1248 HydrophobicContact CG1-CG1 4.43Å; V1244-I1248 VanDerWaalsContact O-CG1 3.31Å; V1244-I1248 WeakPolarHBondContact O-CG1 3.46Å; V1244-I1248 PolarHBondContact O-N 3.25Å |
| 1245 | T | 80.4 | Confident | 76.3 | Confident | 6 Ų | 6 | 23 Ų | 23 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.6 | -43.2 | 174.2 | -43.4 | 0 | 0 | 0 | 0 | 110.6 | L1236 C1241 P1242 I1248 L1249 K1273 T1277 | L1236-T1245 HydrophobicContact CD2-CG2 3.8Å; C1241-T1245 PolarHBondContact O-N 3.37Å; C1241-T1245 PolarHBondContact O-OG1 3.2Å; P1242-T1245 PolarHBondContact O-N 3.29Å; T1245-I1248 PolarHBondContact O-N 3.48Å; T1245-L1249 HydrophobicContact CG2-CD1 4.15Å; T1245-L1249 WeakPolarHBondContact O-CB 3.37Å; T1245-L1249 WeakPolarHBondContact O-CG 3.36Å; T1245-L1249 PolarHBondContact O-N 2.72Å; T1245-K1273 HydrophobicContact CG2-CB 3.92Å; T1245-T1277 HydrophobicContact CG2-CG2 3.77Å |
| 1246 | Q | 77.7 | Confident | 76.1 | Confident | 10 Ų | 10 | 24.2 Ų | 24.2 | 5% | 0.047 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 176.2 | -75.8 | -59.1 | -16.6 | 0 | 0 | 113 | P1242 E1243 V1244 I1248 L1249 N1250 T1277 E1468 | P1242-Q1246 VanDerWaalsContact O-CB 3.32Å; P1242-Q1246 WeakPolarHBondContact O-CB 3.38Å; P1242-Q1246 VanDerWaalsContact O-CG 3.27Å; P1242-Q1246 WeakPolarHBondContact O-CG 3.28Å; P1242-Q1246 PolarHBondContact O-N 2.96Å; E1243-Q1246 PolarHBondContact O-N 2.87Å; V1244-Q1246 VanDerWaalsContact C-N 3.28Å; V1244-Q1246 PolarHBondContact O-N 3.28Å; Q1246-I1248 VanDerWaalsContact C-N 3.28Å; Q1246-I1248 PolarHBondContact O-N 2.63Å; Q1246-L1249 PolarHBondContact O-N 3.46Å; Q1246-N1250 WeakPolarHBondContact O-CB 3.46Å; Q1246-N1250 VanDerWaalsContact O-CG 3.23Å; Q1246-N1250 PolarHBondContact O-N 2.69Å; Q1246-N1250 PolarHBondContact O-ND2 3.49Å; Q1246-T1277 VanDerWaalsContact NE2-CB 3.33Å; Q1246-T1277 PolarHBondContact NE2-OG1 3.11Å; Q1246-E1468 PolarHBondContact OE1-OE1 2.7Å |
| 1247 | A | 78.7 | Confident | 75.8 | Confident | 16 Ų | 16 | 24.5 Ų | 24.5 | 13% | 0.132 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1175 E1243 V1244 L1251 | L1175-A1247 HydrophobicContact CD1-CB 4.25Å; L1175-A1247 HydrophobicContact CD2-CB 3.69Å; E1243-A1247 WeakPolarHBondContact O-CB 3.48Å; E1243-A1247 PolarHBondContact O-N 3.14Å; V1244-A1247 PolarHBondContact O-N 3.44Å; A1247-L1251 WeakPolarHBondContact O-CB 3.33Å; A1247-L1251 PolarHBondContact O-N 2.85Å |
| 1248 | I | 84 | Confident | 75.5 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.6 | -38.8 | 177 | -61.6 | 169.3 | 0 | 0 | 0 | 111.5 | L1232 A1235 L1236 V1244 T1245 Q1246 L1251 A1252 | L1232-I1248 HydrophobicContact CD2-CD1 4.11Å; L1232-I1248 HydrophobicContact CD2-CG1 4.15Å; A1235-I1248 HydrophobicContact CB-CD1 3.73Å; L1236-I1248 HydrophobicContact CD1-CG2 3.89Å; L1236-I1248 HydrophobicContact CD2-CB 4.04Å; L1236-I1248 HydrophobicContact CD2-CD1 4.39Å; L1236-I1248 HydrophobicContact CD2-CG2 3.82Å; L1236-I1248 HydrophobicContact CG-CB 4.45Å; L1236-I1248 HydrophobicContact CG-CD1 4.24Å; L1236-I1248 HydrophobicContact CG-CG2 3.87Å; V1244-I1248 HydrophobicContact CG1-CD1 3.86Å; V1244-I1248 HydrophobicContact CG1-CG1 4.43Å; V1244-I1248 VanDerWaalsContact O-CG1 3.31Å; V1244-I1248 WeakPolarHBondContact O-CG1 3.46Å; V1244-I1248 PolarHBondContact O-N 3.25Å; T1245-I1248 PolarHBondContact O-N 3.48Å; Q1246-I1248 VanDerWaalsContact C-N 3.28Å; Q1246-I1248 PolarHBondContact O-N 2.63Å; I1248-L1251 WeakPolarHBondContact O-CB 3.32Å; I1248-L1251 PolarHBondContact O-N 3.46Å; I1248-A1252 PolarHBondContact O-N 2.99Å |
| 1249 | L | 81.8 | Confident | 75.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.9 | -43 | 174.9 | -73.2 | 170 | 0 | 0 | 0 | 111.5 | T1245 Q1246 L1251 A1252 E1253 L1270 A1274 K1282 Y1286 | T1245-L1249 HydrophobicContact CG2-CD1 4.15Å; T1245-L1249 WeakPolarHBondContact O-CB 3.37Å; T1245-L1249 WeakPolarHBondContact O-CG 3.36Å; T1245-L1249 PolarHBondContact O-N 2.72Å; Q1246-L1249 PolarHBondContact O-N 3.46Å; L1249-L1251 VanDerWaalsContact C-N 3.29Å; L1249-L1251 PolarHBondContact O-N 2.83Å; L1249-A1252 PolarHBondContact O-N 3.07Å; L1249-E1253 WeakPolarHBondContact O-CB 3.49Å; L1249-E1253 PolarHBondContact O-N 2.9Å; L1249-L1270 HydrophobicContact CD2-CB 4.41Å; L1249-L1270 HydrophobicContact CD2-CD2 3.95Å; L1249-A1274 HydrophobicContact CD1-CB 4.12Å; L1249-A1274 HydrophobicContact CD2-CB 4.24Å; L1249-K1282 HydrophobicContact CB-CD 4.1Å; L1249-Y1286 HydrophobicContact CD2-CE2 4.3Å |
| 1250 | N | 81.3 | Confident | 75.5 | Confident | 36 Ų | 36 | 30.3 Ų | 30.3 | 19% | 0.193 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.6 | -38.6 | 173.2 | -72.9 | -17.5 | 0 | 0 | 0 | 111.4 | Q1246 F1254 K1282 | Q1246-N1250 WeakPolarHBondContact O-CB 3.46Å; Q1246-N1250 VanDerWaalsContact O-CG 3.23Å; Q1246-N1250 PolarHBondContact O-N 2.69Å; Q1246-N1250 PolarHBondContact O-ND2 3.49Å; N1250-F1254 VanDerWaalsContact O-CB 3.24Å; N1250-F1254 WeakPolarHBondContact O-CB 3.21Å; N1250-F1254 PolarHBondContact O-N 3.39Å; N1250-K1282 PolarHBondContact OD1-NZ 3.36Å |
| 1251 | L | 82.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.1 | -43.1 | 175.8 | 177.4 | 66.3 | 0 | 0 | 0 | 112.1 | F1209 N1210 F1213 A1247 I1248 L1249 F1254 I1255 L1263 | F1209-L1251 HydrophobicContact CE1-CB 4.25Å; F1209-L1251 HydrophobicContact CE1-CD2 4.07Å; F1209-L1251 HydrophobicContact CZ-CD2 4.16Å; N1210-L1251 HydrophobicContact CB-CD1 4.38Å; F1213-L1251 HydrophobicContact CB-CD1 3.73Å; F1213-L1251 HydrophobicContact CD1-CD1 3.63Å; F1213-L1251 HydrophobicContact CD1-CD2 3.96Å; F1213-L1251 HydrophobicContact CD1-CG 4.25Å; F1213-L1251 HydrophobicContact CD2-CD1 4.39Å; F1213-L1251 HydrophobicContact CD2-CD2 3.68Å; F1213-L1251 HydrophobicContact CE1-CD1 4.33Å; F1213-L1251 HydrophobicContact CE1-CD2 4.02Å; F1213-L1251 HydrophobicContact CE1-CG 4.5Å; F1213-L1251 HydrophobicContact CE2-CD2 3.73Å; F1213-L1251 HydrophobicContact CG-CD1 3.66Å; F1213-L1251 HydrophobicContact CG-CD2 3.79Å; F1213-L1251 HydrophobicContact CG-CG 4.33Å; F1213-L1251 HydrophobicContact CZ-CD2 3.9Å; A1247-L1251 WeakPolarHBondContact O-CB 3.33Å; A1247-L1251 PolarHBondContact O-N 2.85Å; I1248-L1251 WeakPolarHBondContact O-CB 3.32Å; I1248-L1251 PolarHBondContact O-N 3.46Å; L1249-L1251 VanDerWaalsContact C-N 3.29Å; L1249-L1251 PolarHBondContact O-N 2.83Å; L1251-F1254 PolarHBondContact O-N 2.92Å; L1251-I1255 HydrophobicContact CD1-CD1 3.84Å; L1251-I1255 HydrophobicContact CD1-CG1 4.28Å; L1251-I1255 HydrophobicContact CG-CD1 4.02Å; L1251-I1255 WeakPolarHBondContact O-CG1 3.44Å; L1251-I1255 PolarHBondContact O-N 3.22Å; L1251-L1263 HydrophobicContact CG-CD1 4.46Å |
| 1252 | A | 82.3 | Confident | 76.1 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1248 L1249 F1254 I1255 D1256 L1263 L1270 | I1248-A1252 PolarHBondContact O-N 2.99Å; L1249-A1252 PolarHBondContact O-N 3.07Å; A1252-F1254 PolarHBondContact O-N 2.57Å; A1252-I1255 PolarHBondContact O-N 2.72Å; A1252-D1256 PolarHBondContact O-N 3.25Å; A1252-D1256 VanDerWaalsContact O-N 3.07Å; A1252-L1263 HydrophobicContact CB-CD1 4.38Å; A1252-L1270 HydrophobicContact CB-CD1 4.36Å; A1252-L1270 HydrophobicContact CB-CD2 4.45Å |
| 1253 | E | 81 | Confident | 76.6 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -42.8 | 173.4 | 177.8 | 168.4 | -126.7 | 0 | 0 | 112.5 | A813 L1249 I1255 D1256 H1257 K1282 W2106 S2111 S2112 | A813-E1253 HydrophobicContact CB-CG 4.29Å; L1249-E1253 WeakPolarHBondContact O-CB 3.49Å; L1249-E1253 PolarHBondContact O-N 2.9Å; E1253-I1255 PolarHBondContact O-N 3.09Å; E1253-D1256 WeakPolarHBondContact O-CB 3.37Å; E1253-D1256 PolarHBondContact O-N 3.32Å; E1253-H1257 PolarHBondContact O-CD2 3.23Å; E1253-K1282 WeakPolarHBondContact OE2-CE 3.32Å; E1253-K1282 IonicContact OE2-NZ 3.87Å; E1253-W2106 HydrophobicContact CG-CH2 4.02Å; E1253-W2106 HydrophobicContact CG-CZ2 4.35Å; E1253-S2111 WeakPolarHBondContact OE1-CA 3.27Å; E1253-S2112 WeakPolarHBondContact OE1-CA 3.29Å; E1253-S2112 WeakPolarHBondContact OE1-CB 3.2Å; E1253-S2112 PolarHBondContact OE1-N 2.9Å; E1253-S2112 PolarHBondContact OE1-OG 3.42Å |
| 1254 | F | 79 | Confident | 76.9 | Confident | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 177.6 | -176.8 | -100.1 | 0 | 0 | 0 | 112.4 | A813 L814 F830 F840 N1210 A1214 N1250 L1251 A1252 H1257 T1258 | A813-F1254 HydrophobicContact CB-CB 4.11Å; A813-F1254 HydrophobicContact CB-CD2 4.4Å; L814-F1254 HydrophobicContact CD2-CD2 4.08Å; L814-F1254 HydrophobicContact CD2-CE2 3.48Å; L814-F1254 VanDerWaalsContact CD2-CE2 3.48Å; L814-F1254 HydrophobicContact CD2-CZ 4.36Å; L814-F1254 HydrophobicContact CG-CE2 4.22Å; F830-F1254 AromaticContact CE2-CE2 3.73Å; F830-F1254 HydrophobicContact CE2-CE2 3.73Å; F830-F1254 AromaticContact CZ-CD2 3.94Å; F830-F1254 HydrophobicContact CZ-CD2 3.94Å; F830-F1254 AromaticContact CZ-CE2 3.6Å; F830-F1254 HydrophobicContact CZ-CE2 3.6Å; F840-F1254 HydrophobicContact CE1-CE2 4.31Å; F840-F1254 AromaticContact CE1-CZ 3.91Å; F840-F1254 HydrophobicContact CE1-CZ 3.91Å; F840-F1254 HydrophobicContact CZ-CE2 4.49Å; N1210-F1254 HydrophobicContact CB-CB 4.11Å; N1210-F1254 HydrophobicContact CB-CD1 3.82Å; N1210-F1254 HydrophobicContact CB-CD2 4.15Å; N1210-F1254 HydrophobicContact CB-CE1 4.3Å; N1210-F1254 HydrophobicContact CB-CG 3.74Å; N1210-F1254 WeakPolarHBondContact O-CE1 3.39Å; A1214-F1254 HydrophobicContact CB-CD1 4.35Å; A1214-F1254 HydrophobicContact CB-CE1 3.72Å; N1250-F1254 VanDerWaalsContact O-CB 3.24Å; N1250-F1254 WeakPolarHBondContact O-CB 3.21Å; N1250-F1254 PolarHBondContact O-N 3.39Å; L1251-F1254 PolarHBondContact O-N 2.92Å; A1252-F1254 PolarHBondContact O-N 2.57Å; F1254-H1257 WeakPolarHBondContact O-CB 3.45Å; F1254-H1257 PolarHBondContact O-N 3.41Å; F1254-T1258 HydrophobicContact CE1-CG2 4.28Å |
| 1255 | I | 79 | Confident | 76.9 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.2 | -34.7 | -178.1 | -67.7 | 169.4 | 0 | 0 | 0 | 111.4 | F1213 L1251 A1252 E1253 H1257 T1258 G1261 L1263 | F1213-I1255 HydrophobicContact CD1-CD1 3.7Å; F1213-I1255 HydrophobicContact CE1-CD1 3.56Å; L1251-I1255 HydrophobicContact CD1-CD1 3.84Å; L1251-I1255 HydrophobicContact CD1-CG1 4.28Å; L1251-I1255 HydrophobicContact CG-CD1 4.02Å; L1251-I1255 WeakPolarHBondContact O-CG1 3.44Å; L1251-I1255 PolarHBondContact O-N 3.22Å; A1252-I1255 PolarHBondContact O-N 2.72Å; E1253-I1255 PolarHBondContact O-N 3.09Å; I1255-H1257 PolarHBondContact O-N 2.95Å; I1255-T1258 WeakPolarHBondContact O-CB 3.35Å; I1255-T1258 PolarHBondContact O-N 3.16Å; I1255-T1258 PolarHBondContact O-OG1 3.1Å; I1255-G1261 VanDerWaalsContact CG2-O 3.27Å; I1255-G1261 WeakPolarHBondContact CG2-O 3.35Å; I1255-L1263 HydrophobicContact CB-CG 4.27Å; I1255-L1263 HydrophobicContact CD1-CD1 3.58Å; I1255-L1263 HydrophobicContact CD1-CD2 4.02Å; I1255-L1263 HydrophobicContact CD1-CG 3.68Å; I1255-L1263 HydrophobicContact CG2-CG 4.1Å |
| 1256 | D | 75 | Confident | 76.8 | Confident | 27 Ų | 27 | 35.5 Ų | 35.5 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52.9 | -30 | 173 | -86.4 | 20 | 0 | 0 | 0 | 112.9 | A1252 E1253 P1262 W2106 | A1252-D1256 PolarHBondContact O-N 3.25Å; A1252-D1256 VanDerWaalsContact O-N 3.07Å; E1253-D1256 WeakPolarHBondContact O-CB 3.37Å; E1253-D1256 PolarHBondContact O-N 3.32Å; D1256-P1262 WeakPolarHBondContact OD1-CA 3.46Å; D1256-P1262 WeakPolarHBondContact OD1-CB 3.29Å; D1256-W2106 HydrophobicContact CB-CZ2 4.33Å |
| 1257 | H | 72.7 | Confident | 76.7 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -14.4 | 179.9 | -71.2 | -43.6 | 0 | 0 | 0 | 114.2 | W832 E1253 F1254 I1255 W2106 S2109 | W832-H1257 HydrophobicContact CD2-CB 4.04Å; W832-H1257 VanDerWaalsContact CD2-O 3.27Å; W832-H1257 HydrophobicContact CE3-CB 3.92Å; W832-H1257 HydrophobicContact CH2-CB 3.3Å; W832-H1257 AromaticContact CH2-CD2 3.77Å; W832-H1257 AromaticContact CH2-CE1 3.44Å; W832-H1257 VanDerWaalsContact CH2-CE1 3.44Å; W832-H1257 WeakPolarHBondContact CH2-CE1 3.19Å; W832-H1257 AromaticContact CH2-CG 3.03Å; W832-H1257 AromaticContact CH2-ND1 2.84Å; W832-H1257 WeakPolarHBondContact CH2-ND1 3.3Å; W832-H1257 AromaticContact CH2-NE2 3.99Å; W832-H1257 HydrophobicContact CZ2-CB 3.32Å; W832-H1257 AromaticContact CZ2-CD2 3.88Å; W832-H1257 AromaticContact CZ2-CG 3.37Å; W832-H1257 AromaticContact CZ2-ND1 3.7Å; W832-H1257 HydrophobicContact CZ3-CB 3.46Å; W832-H1257 VanDerWaalsContact CZ3-CB 3.46Å; W832-H1257 AromaticContact CZ3-CG 3.54Å; W832-H1257 AromaticContact CZ3-ND1 3.19Å; W832-H1257 WeakPolarHBondContact CZ3-ND1 3.5Å; E1253-H1257 PolarHBondContact O-CD2 3.23Å; F1254-H1257 WeakPolarHBondContact O-CB 3.45Å; F1254-H1257 PolarHBondContact O-N 3.41Å; I1255-H1257 PolarHBondContact O-N 2.95Å; H1257-W2106 AromaticContact CE1-CD1 3.89Å; H1257-W2106 AromaticContact CE1-CD2 3.59Å; H1257-W2106 AromaticContact CE1-CE2 3.17Å; H1257-W2106 AromaticContact CE1-CZ2 3.46Å; H1257-W2106 VanDerWaalsContact CE1-CZ2 3.46Å; H1257-W2106 WeakPolarHBondContact CE1-CZ2 3.35Å; H1257-W2106 AromaticContact CE1-NE1 3.34Å; H1257-W2106 PolarHBondContact CE1-NE1 3.47Å; H1257-W2106 VanDerWaalsContact CE1-NE1 3.34Å; H1257-W2106 PolarHBondContact CE1-O 2.81Å; H1257-W2106 VanDerWaalsContact CE1-O 3.26Å; H1257-W2106 AromaticContact ND1-CD1 3.99Å; H1257-W2106 AromaticContact ND1-CE2 3.78Å; H1257-W2106 AromaticContact ND1-NE1 3.46Å; H1257-W2106 PolarHBondContact ND1-NE1 3.41Å; H1257-W2106 AromaticContact NE2-CE2 3.81Å; H1257-W2106 AromaticContact NE2-CH2 3.93Å; H1257-W2106 AromaticContact NE2-CZ2 3.59Å; H1257-S2109 PolarHBondContact CE1-O 3.24Å; H1257-S2109 PolarHBondContact NE2-O 2.77Å |
| 1258 | T | 71.2 | Confident | 76.8 | Confident | 25 Ų | 25 | 38.7 Ų | 38.7 | 15% | 0.153 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -81.3 | 160.8 | 176.6 | 71 | 0 | 0 | 0 | 0 | 112.6 | F1254 I1255 K1260 G1261 | F1254-T1258 HydrophobicContact CE1-CG2 4.28Å; I1255-T1258 WeakPolarHBondContact O-CB 3.35Å; I1255-T1258 PolarHBondContact O-N 3.16Å; I1255-T1258 PolarHBondContact O-OG1 3.1Å; T1258-K1260 PolarHBondContact O-N 3.3Å; T1258-K1260 VanDerWaalsContact O-N 3.1Å; T1258-G1261 PolarHBondContact O-N 3.06Å |
| 1259 | E | 65.3 | Low | 76.9 | Confident | 152 Ų | 152 | 40.3 Ų | 40.3 | 71% | 0.71 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.4 | -179.2 | -63.4 | -166.7 | 155.9 | 0 | 0 | 114.4 | G1261 K2058 | E1259-G1261 VanDerWaalsContact C-N 3.31Å; E1259-G1261 PolarHBondContact O-N 2.98Å; E1259-K2058 WeakPolarHBondContact OE1-CE 3.44Å; E1259-K2058 IonicContact OE1-NZ 2.75Å; E1259-K2058 PolarHBondContact OE1-NZ 3.35Å |
| 1260 | K | 65.5 | Low | 77 | Confident | 146 Ų | 146 | 40.7 Ų | 40.7 | 64% | 0.635 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -20.8 | 179.8 | -76.8 | -81.2 | -178.6 | 171.7 | 0 | 113.2 | T1218 T1258 | T1218-K1260 HydrophobicContact CG2-CG 4.48Å; T1258-K1260 PolarHBondContact O-N 3.3Å; T1258-K1260 VanDerWaalsContact O-N 3.1Å |
| 1261 | G | 68.7 | Low | 77 | Confident | 22 Ų | 22 | 39 Ų | 39 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | trans | 86.3 | -175.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1255 T1258 E1259 | I1255-G1261 VanDerWaalsContact CG2-O 3.27Å; I1255-G1261 WeakPolarHBondContact CG2-O 3.35Å; T1258-G1261 PolarHBondContact O-N 3.06Å; E1259-G1261 VanDerWaalsContact C-N 3.31Å; E1259-G1261 PolarHBondContact O-N 2.98Å | ||
| 1262 | P | 73.4 | Confident | 77 | Confident | 95 Ų | 95 | 43.6 Ų | 43.6 | 62% | 0.617 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -66.4 | 150.7 | -169.8 | 27.4 | -35.9 | 0 | 0 | 0 | 113.3 | D1256 | D1256-P1262 WeakPolarHBondContact OD1-CA 3.46Å; D1256-P1262 WeakPolarHBondContact OD1-CB 3.29Å |
| 1263 | L | 77.6 | Confident | 76.9 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | trans | -60.1 | 136.4 | 170.9 | -90.9 | 169.2 | 0 | 0 | 0 | 110 | W1217 L1251 A1252 I1255 I1265 | W1217-L1263 HydrophobicContact CH2-CD2 3.94Å; W1217-L1263 HydrophobicContact CZ2-CD2 3.85Å; W1217-L1263 HydrophobicContact CZ3-CD2 4.36Å; L1251-L1263 HydrophobicContact CG-CD1 4.46Å; A1252-L1263 HydrophobicContact CB-CD1 4.38Å; I1255-L1263 HydrophobicContact CB-CG 4.27Å; I1255-L1263 HydrophobicContact CD1-CD1 3.58Å; I1255-L1263 HydrophobicContact CD1-CD2 4.02Å; I1255-L1263 HydrophobicContact CD1-CG 3.68Å; I1255-L1263 HydrophobicContact CG2-CG 4.1Å; L1263-I1265 HydrophobicContact CB-CD1 4.17Å; L1263-I1265 HydrophobicContact CB-CG1 4.28Å; L1263-I1265 HydrophobicContact CD1-CD1 4.13Å; L1263-I1265 PolarHBondContact O-N 3.16Å | ||
| 1264 | P | 79.9 | Confident | 76.9 | Confident | 87 Ų | 87 | 44.4 Ų | 44.4 | 57% | 0.565 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -74.9 | 56.1 | 176.3 | 13.7 | -7 | 0 | 0 | 0 | 112.7 | I1229 | I1229-P1264 HydrophobicContact CD1-CB 4.09Å; I1229-P1264 HydrophobicContact CD1-CG 3.41Å; I1229-P1264 VanDerWaalsContact CD1-CG 3.41Å |
| 1265 | I | 77.3 | Confident | 76.9 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -106 | 143 | 171.9 | -61.6 | 169.6 | 0 | 0 | 0 | 107.6 | I1229 E1233 L1236 L1263 P1267 L1270 | I1229-I1265 HydrophobicContact CG2-CG1 4.02Å; E1233-I1265 HydrophobicContact CG-CG2 4.35Å; L1236-I1265 HydrophobicContact CD1-CG2 4.42Å; L1263-I1265 HydrophobicContact CB-CD1 4.17Å; L1263-I1265 HydrophobicContact CB-CG1 4.28Å; L1263-I1265 HydrophobicContact CD1-CD1 4.13Å; L1263-I1265 PolarHBondContact O-N 3.16Å; I1265-P1267 WeakPolarHBondContact O-CD 3.37Å; I1265-P1267 VanDerWaalsContact O-N 3.16Å; I1265-L1270 HydrophobicContact CB-CD1 4.21Å; I1265-L1270 HydrophobicContact CG2-CD1 4.1Å; I1265-L1270 HydrophobicContact CG2-CD2 4.15Å; I1265-L1270 HydrophobicContact CG2-CG 3.9Å |
| 1266 | N | 79.1 | Confident | 76.8 | Confident | 88 Ų | 88 | 52 Ų | 52 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | trans | -60.2 | 118.3 | 178.3 | -171.9 | -15.5 | 0 | 0 | 0 | 110.9 | V1268 L1269 L1270 | N1266-V1268 PolarHBondContact O-N 3.12Å; N1266-V1268 VanDerWaalsContact O-N 3.16Å; N1266-V1268 WeakPolarHBondContact OD1-CB 3.48Å; N1266-V1268 WeakPolarHBondContact OD1-CG2 3.48Å; N1266-V1268 PolarHBondContact OD1-N 2.81Å; N1266-V1268 VanDerWaalsContact OD1-N 3.11Å; N1266-L1269 PolarHBondContact O-N 3.07Å; N1266-L1269 VanDerWaalsContact O-N 3.12Å; N1266-L1270 PolarHBondContact O-N 3.12Å | ||
| 1267 | P | 75.6 | Confident | 76.6 | Confident | 55 Ų | 55 | 51.7 Ų | 51.7 | 36% | 0.357 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.3 | -23.9 | -177.7 | 23.4 | -33.2 | 0 | 0 | 0 | 113.2 | I1265 L1270 G1271 Y1286 | I1265-P1267 WeakPolarHBondContact O-CD 3.37Å; I1265-P1267 VanDerWaalsContact O-N 3.16Å; P1267-L1270 PolarHBondContact O-N 3.31Å; P1267-G1271 PolarHBondContact O-N 3.01Å; P1267-Y1286 HydrophobicContact CB-CD1 4.44Å |
| 1268 | V | 80.8 | Confident | 76.5 | Confident | 38 Ų | 38 | 55.1 Ų | 55.1 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -45.8 | 175.6 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | N1266 G1271 E1272 E1290 | N1266-V1268 PolarHBondContact O-N 3.12Å; N1266-V1268 VanDerWaalsContact O-N 3.16Å; N1266-V1268 WeakPolarHBondContact OD1-CB 3.48Å; N1266-V1268 WeakPolarHBondContact OD1-CG2 3.48Å; N1266-V1268 PolarHBondContact OD1-N 2.81Å; N1266-V1268 VanDerWaalsContact OD1-N 3.11Å; V1268-G1271 PolarHBondContact O-N 2.87Å; V1268-E1272 WeakPolarHBondContact O-CG 3.36Å; V1268-E1272 PolarHBondContact O-N 3.43Å; V1268-E1290 HydrophobicContact CG2-CG 4.33Å; V1268-E1290 VanDerWaalsContact CG2-OE1 3.32Å; V1268-E1290 WeakPolarHBondContact CG2-OE1 3.27Å |
| 1269 | L | 84.9 | Confident | 76.6 | Confident | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 179 | -178.5 | 67.5 | 0 | 0 | 0 | 111.1 | E1233 L1236 N1266 G1271 E1272 K1273 | E1233-L1269 HydrophobicContact CG-CD2 4.38Å; L1236-L1269 HydrophobicContact CB-CD2 4.49Å; N1266-L1269 PolarHBondContact O-N 3.07Å; N1266-L1269 VanDerWaalsContact O-N 3.12Å; L1269-G1271 VanDerWaalsContact C-N 3.33Å; L1269-G1271 PolarHBondContact O-N 3.29Å; L1269-E1272 PolarHBondContact O-N 2.87Å; L1269-K1273 HydrophobicContact CD1-CG 4.3Å; L1269-K1273 WeakPolarHBondContact O-CB 3.47Å; L1269-K1273 WeakPolarHBondContact O-CG 3.31Å; L1269-K1273 PolarHBondContact O-N 3.12Å |
| 1270 | L | 83.9 | Confident | 77.3 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.9 | -67.7 | 171.3 | 0 | 0 | 0 | 111.3 | L1236 L1249 A1252 I1265 N1266 P1267 A1274 Y1286 | L1236-L1270 HydrophobicContact CD1-CD2 3.79Å; L1249-L1270 HydrophobicContact CD2-CB 4.41Å; L1249-L1270 HydrophobicContact CD2-CD2 3.95Å; A1252-L1270 HydrophobicContact CB-CD1 4.36Å; A1252-L1270 HydrophobicContact CB-CD2 4.45Å; I1265-L1270 HydrophobicContact CB-CD1 4.21Å; I1265-L1270 HydrophobicContact CG2-CD1 4.1Å; I1265-L1270 HydrophobicContact CG2-CD2 4.15Å; I1265-L1270 HydrophobicContact CG2-CG 3.9Å; N1266-L1270 PolarHBondContact O-N 3.12Å; P1267-L1270 PolarHBondContact O-N 3.31Å; L1270-A1274 WeakPolarHBondContact O-CB 3.35Å; L1270-A1274 PolarHBondContact O-N 3Å; L1270-Y1286 HydrophobicContact CB-CD1 4.3Å; L1270-Y1286 HydrophobicContact CB-CD2 3.81Å; L1270-Y1286 HydrophobicContact CB-CE1 4.33Å; L1270-Y1286 HydrophobicContact CB-CE2 3.83Å; L1270-Y1286 HydrophobicContact CB-CG 4.07Å; L1270-Y1286 HydrophobicContact CD1-CD1 4.4Å; L1270-Y1286 HydrophobicContact CD1-CE1 3.88Å |
| 1271 | G | 81.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | P1267 V1268 L1269 L1275 | P1267-G1271 PolarHBondContact O-N 3.01Å; V1268-G1271 PolarHBondContact O-N 2.87Å; L1269-G1271 VanDerWaalsContact C-N 3.33Å; L1269-G1271 PolarHBondContact O-N 3.29Å; G1271-L1275 WeakPolarHBondContact O-CB 3.34Å; G1271-L1275 PolarHBondContact O-N 2.98Å |
| 1272 | E | 83.2 | Confident | 78.6 | Confident | 98 Ų | 98 | 40.6 Ų | 40.6 | 46% | 0.458 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.4 | -44.2 | 178.1 | -72.9 | 176.7 | 175.6 | 0 | 0 | 112.3 | V1268 L1269 L1275 E1276 | V1268-E1272 WeakPolarHBondContact O-CG 3.36Å; V1268-E1272 PolarHBondContact O-N 3.43Å; L1269-E1272 PolarHBondContact O-N 2.87Å; E1272-L1275 WeakPolarHBondContact O-CB 3.39Å; E1272-L1275 PolarHBondContact O-N 3.25Å; E1272-L1275 VanDerWaalsContact O-N 3.15Å; E1272-E1276 PolarHBondContact O-N 2.93Å |
| 1273 | K | 81.4 | Confident | 79.1 | Confident | 21 Ų | 21 | 36 Ų | 36 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.5 | -33.3 | 178.1 | -65.1 | -54 | 179.4 | -169.2 | 0 | 113.4 | L1236 T1245 L1269 L1275 E1276 T1277 | L1236-K1273 WeakPolarHBondContact O-CD 3.38Å; L1236-K1273 WeakPolarHBondContact O-CE 3.47Å; T1245-K1273 HydrophobicContact CG2-CB 3.92Å; L1269-K1273 HydrophobicContact CD1-CG 4.3Å; L1269-K1273 WeakPolarHBondContact O-CB 3.47Å; L1269-K1273 WeakPolarHBondContact O-CG 3.31Å; L1269-K1273 PolarHBondContact O-N 3.12Å; K1273-L1275 VanDerWaalsContact C-N 3.26Å; K1273-L1275 PolarHBondContact O-N 3.31Å; K1273-E1276 VanDerWaalsContact CD-OE2 3.29Å; K1273-E1276 WeakPolarHBondContact CD-OE2 3.18Å; K1273-E1276 IonicContact NZ-OE1 3.48Å; K1273-E1276 PolarHBondContact NZ-OE1 3.22Å; K1273-E1276 IonicContact NZ-OE2 3.24Å; K1273-E1276 PolarHBondContact NZ-OE2 3.41Å; K1273-T1277 WeakPolarHBondContact O-CG2 3.42Å; K1273-T1277 PolarHBondContact O-N 3.32Å; K1273-T1277 PolarHBondContact O-OG1 3.45Å |
| 1274 | A | 80.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -38 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1249 L1270 T1277 R1278 A1279 K1282 A1283 | L1249-A1274 HydrophobicContact CD1-CB 4.12Å; L1249-A1274 HydrophobicContact CD2-CB 4.24Å; L1270-A1274 WeakPolarHBondContact O-CB 3.35Å; L1270-A1274 PolarHBondContact O-N 3Å; A1274-T1277 PolarHBondContact O-OG1 3.08Å; A1274-T1277 VanDerWaalsContact O-OG1 3.11Å; A1274-R1278 PolarHBondContact O-N 2.89Å; A1274-A1279 HydrophobicContact CB-CB 4.34Å; A1274-A1279 PolarHBondContact O-N 2.97Å; A1274-K1282 HydrophobicContact CB-CB 4.03Å; A1274-A1283 HydrophobicContact CB-CB 3.77Å |
| 1275 | L | 79 | Confident | 79.5 | Confident | 54 Ų | 54 | 32.9 Ų | 32.9 | 28% | 0.283 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -70 | -43.4 | 178.4 | -152.7 | 147.7 | 0 | 0 | 0 | 112.2 | G1271 E1272 K1273 T1277 R1278 A1283 I1306 | G1271-L1275 WeakPolarHBondContact O-CB 3.34Å; G1271-L1275 PolarHBondContact O-N 2.98Å; E1272-L1275 WeakPolarHBondContact O-CB 3.39Å; E1272-L1275 PolarHBondContact O-N 3.25Å; E1272-L1275 VanDerWaalsContact O-N 3.15Å; K1273-L1275 VanDerWaalsContact C-N 3.26Å; K1273-L1275 PolarHBondContact O-N 3.31Å; L1275-T1277 VanDerWaalsContact C-N 3.34Å; L1275-T1277 PolarHBondContact O-N 3.21Å; L1275-R1278 PolarHBondContact O-N 3.28Å; L1275-R1278 VanDerWaalsContact O-N 3.11Å; L1275-A1283 HydrophobicContact CB-CB 4.22Å; L1275-I1306 HydrophobicContact CD1-CD1 3.7Å; L1275-I1306 HydrophobicContact CD1-CG1 3.59Å; L1275-I1306 HydrophobicContact CG-CG1 4.42Å |
| 1276 | E | 76.2 | Confident | 79.9 | Confident | 112 Ų | 112 | 33 Ų | 33 | 52% | 0.523 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.6 | -42.4 | 174 | -75.6 | 177.9 | -164.3 | 0 | 0 | 112.2 | E1272 K1273 R1278 | E1272-E1276 PolarHBondContact O-N 2.93Å; K1273-E1276 VanDerWaalsContact CD-OE2 3.29Å; K1273-E1276 WeakPolarHBondContact CD-OE2 3.18Å; K1273-E1276 IonicContact NZ-OE1 3.48Å; K1273-E1276 PolarHBondContact NZ-OE1 3.22Å; K1273-E1276 IonicContact NZ-OE2 3.24Å; K1273-E1276 PolarHBondContact NZ-OE2 3.41Å; E1276-R1278 PolarHBondContact O-N 3.44Å |
| 1277 | T | 70 | Confident | 80 | Confident | 21 Ų | 21 | 29.5 Ų | 29.5 | 13% | 0.129 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -75.1 | -8.9 | 178.7 | 54.5 | 0 | 0 | 0 | 0 | 113.2 | P1242 T1245 Q1246 K1273 A1274 L1275 R1472 | P1242-T1277 HydrophobicContact CB-CG2 4.31Å; T1245-T1277 HydrophobicContact CG2-CG2 3.77Å; Q1246-T1277 VanDerWaalsContact NE2-CB 3.33Å; Q1246-T1277 PolarHBondContact NE2-OG1 3.11Å; K1273-T1277 WeakPolarHBondContact O-CG2 3.42Å; K1273-T1277 PolarHBondContact O-N 3.32Å; K1273-T1277 PolarHBondContact O-OG1 3.45Å; A1274-T1277 PolarHBondContact O-OG1 3.08Å; A1274-T1277 VanDerWaalsContact O-OG1 3.11Å; L1275-T1277 VanDerWaalsContact C-N 3.34Å; L1275-T1277 PolarHBondContact O-N 3.21Å; T1277-R1472 VanDerWaalsContact C-NH2 3.31Å; T1277-R1472 PolarHBondContact O-NH2 2.91Å |
| 1278 | R | 72.5 | Confident | 80.2 | Confident | 79 Ų | 79 | 27.6 Ų | 27.6 | 30% | 0.298 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 18.1 | -171.4 | -49.9 | -172 | -176.1 | 166.2 | 7.3 | 115.6 | A1274 L1275 E1276 Y1280 E1461 R1472 | A1274-R1278 PolarHBondContact O-N 2.89Å; L1275-R1278 PolarHBondContact O-N 3.28Å; L1275-R1278 VanDerWaalsContact O-N 3.11Å; E1276-R1278 PolarHBondContact O-N 3.44Å; R1278-Y1280 HydrophobicContact CB-CE1 4.17Å; R1278-Y1280 HydrophobicContact CB-CE2 3.9Å; R1278-Y1280 WeakPolarHBondContact CG-OH 3.4Å; R1278-Y1280 WeakPolarHBondContact O-CD2 3.34Å; R1278-Y1280 PolarHBondContact O-N 3.23Å; R1278-E1461 IonicContact NH2-OE2 3.53Å; R1278-R1472 VanDerWaalsContact C-NE 3.26Å; R1278-R1472 WeakPolarHBondContact O-CD 2.98Å; R1278-R1472 VanDerWaalsContact O-CZ 3.25Å; R1278-R1472 PolarHBondContact O-NE 2.94Å |
| 1279 | A | 72.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -80.3 | 70.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A1274 A1281 K1282 A1283 R1472 | A1274-A1279 HydrophobicContact CB-CB 4.34Å; A1274-A1279 PolarHBondContact O-N 2.97Å; A1279-A1281 PolarHBondContact O-N 3.03Å; A1279-K1282 HydrophobicContact CB-CB 4.17Å; A1279-K1282 HydrophobicContact CB-CD 4.09Å; A1279-K1282 HydrophobicContact CB-CG 4.39Å; A1279-K1282 PolarHBondContact O-N 3.21Å; A1279-A1283 PolarHBondContact O-N 3.41Å; A1279-R1472 VanDerWaalsContact CA-CZ 3.45Å; A1279-R1472 VanDerWaalsContact N-CZ 3.34Å | ||
| 1280 | Y | 78.8 | Confident | 79.7 | Confident | 35 Ų | 35 | 29.1 Ų | 29.1 | 14% | 0.137 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.3 | -35.4 | -168 | -58.7 | -53.6 | 0 | 0 | 0 | 113.3 | R1278 A1283 L1284 I1306 Q1309 | R1278-Y1280 HydrophobicContact CB-CE1 4.17Å; R1278-Y1280 HydrophobicContact CB-CE2 3.9Å; R1278-Y1280 WeakPolarHBondContact CG-OH 3.4Å; R1278-Y1280 WeakPolarHBondContact O-CD2 3.34Å; R1278-Y1280 PolarHBondContact O-N 3.23Å; Y1280-A1283 PolarHBondContact O-N 3.13Å; Y1280-L1284 VanDerWaalsContact O-CB 3.3Å; Y1280-L1284 WeakPolarHBondContact O-CB 3.43Å; Y1280-L1284 PolarHBondContact O-N 3.11Å; Y1280-I1306 VanDerWaalsContact O-CG2 3.31Å; Y1280-I1306 WeakPolarHBondContact O-CG2 3.41Å; Y1280-Q1309 HydrophobicContact CD1-CB 4.05Å; Y1280-Q1309 HydrophobicContact CD2-CB 3.92Å; Y1280-Q1309 HydrophobicContact CE1-CB 4.02Å; Y1280-Q1309 VanDerWaalsContact CE1-CD 3.4Å; Y1280-Q1309 HydrophobicContact CE1-CG 4.19Å; Y1280-Q1309 HydrophobicContact CE2-CB 3.85Å; Y1280-Q1309 HydrophobicContact CE2-CG 4.45Å; Y1280-Q1309 HydrophobicContact CG-CB 4.01Å |
| 1281 | A | 78 | Confident | 79.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.9 | -39 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1279 L1284 R1285 L1310 E2113 F2116 | A1279-A1281 PolarHBondContact O-N 3.03Å; A1281-L1284 PolarHBondContact O-N 3.31Å; A1281-R1285 WeakPolarHBondContact O-CB 3.32Å; A1281-R1285 PolarHBondContact O-N 2.77Å; A1281-L1310 HydrophobicContact CB-CD2 4.43Å; A1281-E2113 VanDerWaalsContact CB-CD 3.47Å; A1281-E2113 HydrophobicContact CB-CG 4.02Å; A1281-E2113 WeakPolarHBondContact CB-OE1 3.49Å; A1281-F2116 HydrophobicContact CB-CB 4.2Å |
| 1282 | K | 83.1 | Confident | 78.9 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.8 | -45.1 | 172.3 | -68.3 | 179.5 | -176.4 | 153.1 | 0 | 111.4 | L1249 N1250 E1253 A1274 A1279 L1284 R1285 Y1286 E1468 S2112 | L1249-K1282 HydrophobicContact CB-CD 4.1Å; N1250-K1282 PolarHBondContact OD1-NZ 3.36Å; E1253-K1282 WeakPolarHBondContact OE2-CE 3.32Å; E1253-K1282 IonicContact OE2-NZ 3.87Å; A1274-K1282 HydrophobicContact CB-CB 4.03Å; A1279-K1282 HydrophobicContact CB-CB 4.17Å; A1279-K1282 HydrophobicContact CB-CD 4.09Å; A1279-K1282 HydrophobicContact CB-CG 4.39Å; A1279-K1282 PolarHBondContact O-N 3.21Å; K1282-L1284 VanDerWaalsContact C-N 3.28Å; K1282-L1284 PolarHBondContact O-N 2.82Å; K1282-R1285 WeakPolarHBondContact O-CB 3.27Å; K1282-R1285 PolarHBondContact O-N 2.97Å; K1282-Y1286 HydrophobicContact CB-CE2 4.38Å; K1282-Y1286 WeakPolarHBondContact O-CD2 3.48Å; K1282-Y1286 PolarHBondContact O-N 3.32Å; K1282-Y1286 VanDerWaalsContact O-N 3.09Å; K1282-E1468 IonicContact NZ-OE1 3.41Å; K1282-E1468 PolarHBondContact NZ-OE1 3.19Å; K1282-S2112 WeakPolarHBondContact CG-OG 3.41Å |
| 1283 | A | 84.2 | Confident | 78.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A1274 L1275 A1279 Y1280 Y1286 K1287 I1306 | A1274-A1283 HydrophobicContact CB-CB 3.77Å; L1275-A1283 HydrophobicContact CB-CB 4.22Å; A1279-A1283 PolarHBondContact O-N 3.41Å; Y1280-A1283 PolarHBondContact O-N 3.13Å; A1283-Y1286 PolarHBondContact O-N 3.21Å; A1283-K1287 VanDerWaalsContact O-CB 3.3Å; A1283-K1287 WeakPolarHBondContact O-CB 3.43Å; A1283-K1287 VanDerWaalsContact O-CG 3.24Å; A1283-K1287 WeakPolarHBondContact O-CG 3.47Å; A1283-K1287 PolarHBondContact O-N 3.04Å; A1283-I1306 HydrophobicContact CB-CD1 4.07Å |
| 1284 | L | 83.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.5 | -51.4 | 176.1 | -173 | 63.4 | 0 | 0 | 0 | 110.4 | Y1280 A1281 K1282 Y1286 K1287 E1288 I1303 I1306 L1310 F2116 | Y1280-L1284 VanDerWaalsContact O-CB 3.3Å; Y1280-L1284 WeakPolarHBondContact O-CB 3.43Å; Y1280-L1284 PolarHBondContact O-N 3.11Å; A1281-L1284 PolarHBondContact O-N 3.31Å; K1282-L1284 VanDerWaalsContact C-N 3.28Å; K1282-L1284 PolarHBondContact O-N 2.82Å; L1284-Y1286 PolarHBondContact O-N 2.67Å; L1284-K1287 PolarHBondContact O-N 2.72Å; L1284-E1288 HydrophobicContact CD1-CG 3.99Å; L1284-E1288 HydrophobicContact CG-CG 4.05Å; L1284-E1288 VanDerWaalsContact O-CB 3.31Å; L1284-E1288 WeakPolarHBondContact O-CB 3.5Å; L1284-E1288 WeakPolarHBondContact O-CG 3.42Å; L1284-E1288 PolarHBondContact O-N 3.19Å; L1284-I1303 HydrophobicContact CD1-CG2 4Å; L1284-I1306 HydrophobicContact CB-CG2 3.77Å; L1284-I1306 HydrophobicContact CD1-CG2 4.12Å; L1284-I1306 HydrophobicContact CG-CG2 4.46Å; L1284-L1310 HydrophobicContact CB-CD1 4.28Å; L1284-L1310 HydrophobicContact CD2-CD1 3.81Å; L1284-F2116 HydrophobicContact CD2-CD2 3.77Å; L1284-F2116 HydrophobicContact CD2-CE2 3.79Å |
| 1285 | R | 83.1 | Confident | 77.4 | Confident | 32 Ų | 32 | 39.4 Ų | 39.4 | 12% | 0.121 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -50.2 | -51.9 | 177.1 | 175.5 | 81.8 | -176 | 173.8 | 7.6 | 112.8 | A1281 K1282 N1289 W2106 W2115 | A1281-R1285 WeakPolarHBondContact O-CB 3.32Å; A1281-R1285 PolarHBondContact O-N 2.77Å; K1282-R1285 WeakPolarHBondContact O-CB 3.27Å; K1282-R1285 PolarHBondContact O-N 2.97Å; R1285-N1289 PolarHBondContact O-N 3.35Å; R1285-N1289 VanDerWaalsContact O-N 3.08Å; R1285-W2106 HydrophobicContact CG-CH2 4.3Å; R1285-W2106 HydrophobicContact CG-CZ3 4.44Å; R1285-W2106 VanDerWaalsContact NH1-CB 3.28Å; R1285-W2115 HydrophobicContact CB-CZ3 4.18Å |
| 1286 | Y | 85 | Confident | 77.2 | Confident | 12 Ų | 12 | 39 Ų | 39 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.4 | -39.2 | -178.2 | -66.1 | -58.3 | 0 | 0 | 0 | 112.2 | L1249 P1267 L1270 K1282 A1283 L1284 N1289 E1290 | L1249-Y1286 HydrophobicContact CD2-CE2 4.3Å; P1267-Y1286 HydrophobicContact CB-CD1 4.44Å; L1270-Y1286 HydrophobicContact CB-CD1 4.3Å; L1270-Y1286 HydrophobicContact CB-CD2 3.81Å; L1270-Y1286 HydrophobicContact CB-CE1 4.33Å; L1270-Y1286 HydrophobicContact CB-CE2 3.83Å; L1270-Y1286 HydrophobicContact CB-CG 4.07Å; L1270-Y1286 HydrophobicContact CD1-CD1 4.4Å; L1270-Y1286 HydrophobicContact CD1-CE1 3.88Å; K1282-Y1286 HydrophobicContact CB-CE2 4.38Å; K1282-Y1286 WeakPolarHBondContact O-CD2 3.48Å; K1282-Y1286 PolarHBondContact O-N 3.32Å; K1282-Y1286 VanDerWaalsContact O-N 3.09Å; A1283-Y1286 PolarHBondContact O-N 3.21Å; L1284-Y1286 PolarHBondContact O-N 2.67Å; Y1286-N1289 WeakPolarHBondContact O-CB 3.49Å; Y1286-N1289 PolarHBondContact O-N 2.85Å; Y1286-E1290 PolarHBondContact O-N 3.2Å |
| 1287 | K | 81.6 | Confident | 77.1 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 7% | 0.065 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.7 | -34 | 177 | -70.8 | -77.2 | 162.9 | -162.5 | 0 | 112.7 | A1283 L1284 E1290 F1291 L1299 I1303 I1306 | A1283-K1287 VanDerWaalsContact O-CB 3.3Å; A1283-K1287 WeakPolarHBondContact O-CB 3.43Å; A1283-K1287 VanDerWaalsContact O-CG 3.24Å; A1283-K1287 WeakPolarHBondContact O-CG 3.47Å; A1283-K1287 PolarHBondContact O-N 3.04Å; L1284-K1287 PolarHBondContact O-N 2.72Å; K1287-E1290 WeakPolarHBondContact CD-OE2 3.33Å; K1287-E1290 WeakPolarHBondContact CE-OE2 3.35Å; K1287-E1290 IonicContact NZ-OE1 3.67Å; K1287-E1290 IonicContact NZ-OE2 3.64Å; K1287-E1290 PolarHBondContact NZ-OE2 3.03Å; K1287-E1290 WeakPolarHBondContact O-CB 3.41Å; K1287-E1290 PolarHBondContact O-N 2.6Å; K1287-F1291 WeakPolarHBondContact O-CB 3.47Å; K1287-F1291 PolarHBondContact O-N 3.28Å; K1287-L1299 HydrophobicContact CB-CD1 4.14Å; K1287-L1299 HydrophobicContact CD-CD1 3.42Å; K1287-L1299 VanDerWaalsContact CD-CD1 3.42Å; K1287-L1299 HydrophobicContact CG-CD1 4.41Å; K1287-I1303 HydrophobicContact CB-CG1 3.94Å; K1287-I1306 HydrophobicContact CB-CD1 4.33Å; K1287-I1306 HydrophobicContact CG-CD1 3.94Å |
| 1288 | E | 79.2 | Confident | 77.4 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.4 | -38.1 | 172.2 | -72.6 | -168.2 | 177 | 0 | 0 | 111.6 | L1284 E1290 F1291 I1292 W2115 R2119 V2191 | L1284-E1288 HydrophobicContact CD1-CG 3.99Å; L1284-E1288 HydrophobicContact CG-CG 4.05Å; L1284-E1288 VanDerWaalsContact O-CB 3.31Å; L1284-E1288 WeakPolarHBondContact O-CB 3.5Å; L1284-E1288 WeakPolarHBondContact O-CG 3.42Å; L1284-E1288 PolarHBondContact O-N 3.19Å; E1288-E1290 VanDerWaalsContact C-N 3.31Å; E1288-F1291 WeakPolarHBondContact O-CB 3.34Å; E1288-F1291 PolarHBondContact O-N 3.48Å; E1288-I1292 WeakPolarHBondContact O-CD1 3.48Å; E1288-I1292 VanDerWaalsContact O-CG1 3.3Å; E1288-I1292 WeakPolarHBondContact O-CG1 3.43Å; E1288-I1292 PolarHBondContact O-N 2.65Å; E1288-W2115 WeakPolarHBondContact OE2-CH2 3.24Å; E1288-R2119 IonicContact OE1-CZ 3.16Å; E1288-R2119 VanDerWaalsContact OE1-CZ 3.27Å; E1288-R2119 IonicContact OE1-NH1 3.93Å; E1288-R2119 PolarHBondContact OE1-NH1 2.95Å; E1288-R2119 IonicContact OE1-NH2 2.65Å; E1288-R2119 PolarHBondContact OE1-NH2 3.14Å; E1288-R2119 IonicContact OE2-CZ 2.76Å; E1288-R2119 IonicContact OE2-NH1 2.81Å; E1288-R2119 PolarHBondContact OE2-NH1 2.89Å; E1288-V2191 HydrophobicContact CB-CG2 3.54Å; E1288-V2191 HydrophobicContact CG-CG2 3.22Å; E1288-V2191 WeakPolarHBondContact OE2-CG2 3.45Å |
| 1289 | N | 78.3 | Confident | 77.7 | Confident | 59 Ų | 59 | 34.8 Ų | 34.8 | 32% | 0.316 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.4 | -39.6 | 170.7 | -83.4 | -15.7 | 0 | 0 | 0 | 112 | R1285 Y1286 F1291 I1292 V1293 | R1285-N1289 PolarHBondContact O-N 3.35Å; R1285-N1289 VanDerWaalsContact O-N 3.08Å; Y1286-N1289 WeakPolarHBondContact O-CB 3.49Å; Y1286-N1289 PolarHBondContact O-N 2.85Å; N1289-F1291 VanDerWaalsContact C-N 3.31Å; N1289-I1292 PolarHBondContact O-N 3.45Å; N1289-V1293 PolarHBondContact O-N 3.18Å |
| 1290 | E | 77.8 | Confident | 77.9 | Confident | 47 Ų | 47 | 35 Ų | 35 | 22% | 0.22 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 172.9 | -155.1 | 178.8 | 172.7 | 0 | 0 | 110.8 | V1268 Y1286 K1287 E1288 I1292 V1293 E1294 L1299 | V1268-E1290 HydrophobicContact CG2-CG 4.33Å; V1268-E1290 VanDerWaalsContact CG2-OE1 3.32Å; V1268-E1290 WeakPolarHBondContact CG2-OE1 3.27Å; Y1286-E1290 PolarHBondContact O-N 3.2Å; K1287-E1290 WeakPolarHBondContact CD-OE2 3.33Å; K1287-E1290 WeakPolarHBondContact CE-OE2 3.35Å; K1287-E1290 IonicContact NZ-OE1 3.67Å; K1287-E1290 IonicContact NZ-OE2 3.64Å; K1287-E1290 PolarHBondContact NZ-OE2 3.03Å; K1287-E1290 WeakPolarHBondContact O-CB 3.41Å; K1287-E1290 PolarHBondContact O-N 2.6Å; E1288-E1290 VanDerWaalsContact C-N 3.31Å; E1290-I1292 VanDerWaalsContact C-N 3.31Å; E1290-I1292 PolarHBondContact O-N 3.25Å; E1290-V1293 PolarHBondContact O-N 2.61Å; E1290-E1294 PolarHBondContact O-N 2.68Å; E1290-E1294 VanDerWaalsContact O-O 3.07Å; E1290-L1299 HydrophobicContact CB-CD1 4.09Å; E1290-L1299 HydrophobicContact CB-CD2 4.13Å; E1290-L1299 HydrophobicContact CG-CD1 4.28Å; E1290-L1299 HydrophobicContact CG-CD2 4.25Å |
| 1291 | F | 76.3 | Confident | 77.7 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.3 | -33.2 | -179.7 | -177.3 | -89.8 | 0 | 0 | 0 | 113.3 | K1287 E1288 N1289 V1293 V1295 L1299 L1300 I1303 Y1322 V2191 R2193 T2207 | K1287-F1291 WeakPolarHBondContact O-CB 3.47Å; K1287-F1291 PolarHBondContact O-N 3.28Å; E1288-F1291 WeakPolarHBondContact O-CB 3.34Å; E1288-F1291 PolarHBondContact O-N 3.48Å; N1289-F1291 VanDerWaalsContact C-N 3.31Å; F1291-V1293 VanDerWaalsContact C-N 3.26Å; F1291-V1293 PolarHBondContact O-N 3.39Å; F1291-V1295 HydrophobicContact CD2-CG2 4.09Å; F1291-V1295 HydrophobicContact CE2-CG1 4.02Å; F1291-V1295 HydrophobicContact CE2-CG2 3.89Å; F1291-V1295 HydrophobicContact CZ-CG2 4.22Å; F1291-L1299 VanDerWaalsContact CA-CD2 3.47Å; F1291-L1299 HydrophobicContact CB-CD2 3.82Å; F1291-L1299 HydrophobicContact CD2-CD2 4.23Å; F1291-L1300 HydrophobicContact CD2-CD2 4.39Å; F1291-L1300 HydrophobicContact CE2-CD2 3.66Å; F1291-L1300 HydrophobicContact CE2-CG 4.35Å; F1291-I1303 HydrophobicContact CB-CD1 3.89Å; F1291-I1303 HydrophobicContact CD2-CD1 3.99Å; F1291-I1303 HydrophobicContact CG-CD1 4.17Å; F1291-Y1322 HydrophobicContact CE2-CE1 4.42Å; F1291-Y1322 HydrophobicContact CZ-CD1 4.49Å; F1291-Y1322 AromaticContact CZ-CE1 3.9Å; F1291-Y1322 HydrophobicContact CZ-CE1 3.9Å; F1291-V2191 HydrophobicContact CD1-CB 3.94Å; F1291-V2191 HydrophobicContact CD1-CG1 3.43Å; F1291-V2191 VanDerWaalsContact CD1-CG1 3.43Å; F1291-V2191 HydrophobicContact CE1-CB 4.19Å; F1291-V2191 HydrophobicContact CE1-CG1 3.95Å; F1291-V2191 HydrophobicContact CG-CG1 4.44Å; F1291-R2193 HydrophobicContact CE1-CB 4.49Å; F1291-T2207 HydrophobicContact CZ-CG2 4.22Å |
| 1292 | I | 71.7 | Confident | 77.7 | Confident | 53 Ų | 53 | 36.4 Ų | 36.4 | 27% | 0.272 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.5 | -34.4 | 175.2 | -66.1 | 158.1 | 0 | 0 | 0 | 110.5 | E1288 N1289 E1290 V2191 | E1288-I1292 WeakPolarHBondContact O-CD1 3.48Å; E1288-I1292 VanDerWaalsContact O-CG1 3.3Å; E1288-I1292 WeakPolarHBondContact O-CG1 3.43Å; E1288-I1292 PolarHBondContact O-N 2.65Å; N1289-I1292 PolarHBondContact O-N 3.45Å; E1290-I1292 VanDerWaalsContact C-N 3.31Å; E1290-I1292 PolarHBondContact O-N 3.25Å; I1292-V2191 HydrophobicContact CD1-CG1 4.34Å; I1292-V2191 HydrophobicContact CG1-CG1 3.75Å |
| 1293 | V | 74.2 | Confident | 77.5 | Confident | 109 Ų | 109 | 36.7 Ų | 36.7 | 66% | 0.661 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -83.2 | -60.8 | -178.5 | -177.4 | 0 | 0 | 0 | 0 | 111 | N1289 E1290 F1291 R2193 | N1289-V1293 PolarHBondContact O-N 3.18Å; E1290-V1293 PolarHBondContact O-N 2.61Å; F1291-V1293 VanDerWaalsContact C-N 3.26Å; F1291-V1293 PolarHBondContact O-N 3.39Å; V1293-R2193 PolarHBondContact O-NH2 2.98Å |
| 1294 | E | 70.4 | Confident | 77.2 | Confident | 149 Ų | 149 | 36.7 Ų | 36.7 | 70% | 0.696 | 20% | 0.203 | S | C | * | . | trans | -134.8 | 140.3 | -178.3 | -83.3 | -172.1 | 157.3 | 0 | 0 | 112.2 | E1290 L1299 | E1290-E1294 PolarHBondContact O-N 2.68Å; E1290-E1294 VanDerWaalsContact O-O 3.07Å; E1294-L1299 WeakPolarHBondContact O-CD2 3.01Å | ||
| 1295 | V | 70.4 | Confident | 76.9 | Confident | 26 Ų | 26 | 37.9 Ų | 37.9 | 16% | 0.158 | 21% | 0.211 | C | C | . | . | trans | -108 | 115.8 | 179.1 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | F1291 L1300 F1328 | F1291-V1295 HydrophobicContact CD2-CG2 4.09Å; F1291-V1295 HydrophobicContact CE2-CG1 4.02Å; F1291-V1295 HydrophobicContact CE2-CG2 3.89Å; F1291-V1295 HydrophobicContact CZ-CG2 4.22Å; V1295-L1300 HydrophobicContact CG1-CD1 4.21Å; V1295-L1300 HydrophobicContact CG1-CG 4.43Å; V1295-F1328 HydrophobicContact CB-CZ 4.33Å; V1295-F1328 HydrophobicContact CG1-CE1 4.32Å; V1295-F1328 HydrophobicContact CG1-CE2 4.11Å; V1295-F1328 HydrophobicContact CG1-CZ 3.67Å | ||
| 1296 | S | 74 | Confident | 76.7 | Confident | 46 Ų | 46 | 36.3 Ų | 36.3 | 32% | 0.322 | 21% | 0.205 | S | C | . | . | trans | -120.2 | 156.2 | 173.1 | 73 | 0 | 0 | 0 | 0 | 111.1 | S1298 L1299 L1300 | S1296-S1298 VanDerWaalsContact C-N 3.3Å; S1296-S1298 PolarHBondContact O-N 3.22Å; S1296-S1298 PolarHBondContact OG-OG 3.32Å; S1296-L1299 PolarHBondContact O-N 3.27Å; S1296-L1299 WeakPolarHBondContact OG-CB 3.2Å; S1296-L1299 PolarHBondContact OG-N 3.45Å; S1296-L1299 VanDerWaalsContact OG-N 3.12Å; S1296-L1300 PolarHBondContact O-N 3.44Å; S1296-L1300 VanDerWaalsContact O-N 3.13Å | ||
| 1297 | S | 73.7 | Confident | 76.3 | Confident | 43 Ų | 43 | 36 Ų | 36 | 30% | 0.301 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59 | -42.7 | 175.6 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | L1299 L1300 E1301 | S1297-L1299 VanDerWaalsContact C-N 3.31Å; S1297-L1299 PolarHBondContact O-N 2.84Å; S1297-L1300 PolarHBondContact O-N 3.45Å; S1297-E1301 WeakPolarHBondContact O-CB 3.27Å; S1297-E1301 PolarHBondContact O-N 3.5Å |
| 1298 | S | 76 | Confident | 75.9 | Confident | 77 Ų | 77 | 35.8 Ų | 35.8 | 54% | 0.538 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.3 | -32.8 | 178.9 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | S1296 E1301 S1302 | S1296-S1298 VanDerWaalsContact C-N 3.3Å; S1296-S1298 PolarHBondContact O-N 3.22Å; S1296-S1298 PolarHBondContact OG-OG 3.32Å; S1298-E1301 PolarHBondContact O-N 3.36Å; S1298-S1302 PolarHBondContact O-N 3.22Å; S1298-S1302 PolarHBondContact O-OG 3.33Å |
| 1299 | L | 78.4 | Confident | 75.7 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.5 | -47.1 | 175.9 | -177 | 65.9 | 0 | 0 | 0 | 111.7 | K1287 E1290 F1291 E1294 S1296 S1297 E1301 S1302 I1303 | K1287-L1299 HydrophobicContact CB-CD1 4.14Å; K1287-L1299 HydrophobicContact CD-CD1 3.42Å; K1287-L1299 VanDerWaalsContact CD-CD1 3.42Å; K1287-L1299 HydrophobicContact CG-CD1 4.41Å; E1290-L1299 HydrophobicContact CB-CD1 4.09Å; E1290-L1299 HydrophobicContact CB-CD2 4.13Å; E1290-L1299 HydrophobicContact CG-CD1 4.28Å; E1290-L1299 HydrophobicContact CG-CD2 4.25Å; F1291-L1299 VanDerWaalsContact CA-CD2 3.47Å; F1291-L1299 HydrophobicContact CB-CD2 3.82Å; F1291-L1299 HydrophobicContact CD2-CD2 4.23Å; E1294-L1299 WeakPolarHBondContact O-CD2 3.01Å; S1296-L1299 PolarHBondContact O-N 3.27Å; S1296-L1299 WeakPolarHBondContact OG-CB 3.2Å; S1296-L1299 PolarHBondContact OG-N 3.45Å; S1296-L1299 VanDerWaalsContact OG-N 3.12Å; S1297-L1299 VanDerWaalsContact C-N 3.31Å; S1297-L1299 PolarHBondContact O-N 2.84Å; L1299-E1301 PolarHBondContact O-N 3.06Å; L1299-S1302 VanDerWaalsContact CA-OG 3.32Å; L1299-S1302 WeakPolarHBondContact CA-OG 3.22Å; L1299-S1302 PolarHBondContact O-N 3.41Å; L1299-S1302 VanDerWaalsContact O-N 3.16Å; L1299-S1302 PolarHBondContact O-OG 3.5Å; L1299-I1303 HydrophobicContact CD1-CD1 4.3Å; L1299-I1303 HydrophobicContact CD1-CG1 4.43Å; L1299-I1303 HydrophobicContact CG-CD1 4Å; L1299-I1303 HydrophobicContact CG-CG1 4.49Å; L1299-I1303 WeakPolarHBondContact O-CG1 2.95Å; L1299-I1303 PolarHBondContact O-N 3.29Å |
| 1300 | L | 77.4 | Confident | 75.4 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.8 | -42.8 | 173.7 | -77.8 | 167.6 | 0 | 0 | 0 | 110.9 | F1291 V1295 S1296 S1297 S1302 I1303 L1304 I1319 W1336 | F1291-L1300 HydrophobicContact CD2-CD2 4.39Å; F1291-L1300 HydrophobicContact CE2-CD2 3.66Å; F1291-L1300 HydrophobicContact CE2-CG 4.35Å; V1295-L1300 HydrophobicContact CG1-CD1 4.21Å; V1295-L1300 HydrophobicContact CG1-CG 4.43Å; S1296-L1300 PolarHBondContact O-N 3.44Å; S1296-L1300 VanDerWaalsContact O-N 3.13Å; S1297-L1300 PolarHBondContact O-N 3.45Å; L1300-S1302 VanDerWaalsContact C-N 3.33Å; L1300-S1302 PolarHBondContact O-N 3.03Å; L1300-I1303 PolarHBondContact O-N 3.04Å; L1300-L1304 WeakPolarHBondContact O-CB 3.41Å; L1300-L1304 PolarHBondContact O-N 3.28Å; L1300-I1319 HydrophobicContact CD2-CG2 3.65Å; L1300-W1336 HydrophobicContact CB-CH2 4.14Å; L1300-W1336 HydrophobicContact CB-CZ2 3.95Å; L1300-W1336 HydrophobicContact CD1-CH2 4.39Å |
| 1301 | E | 74.5 | Confident | 75.1 | Confident | 40 Ų | 40 | 39.8 Ų | 39.8 | 19% | 0.187 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.6 | -32.8 | 179.9 | -147.5 | -162.1 | 146 | 0 | 0 | 113.6 | S1297 S1298 L1299 S1305 C1335 K1339 | S1297-E1301 WeakPolarHBondContact O-CB 3.27Å; S1297-E1301 PolarHBondContact O-N 3.5Å; S1298-E1301 PolarHBondContact O-N 3.36Å; L1299-E1301 PolarHBondContact O-N 3.06Å; E1301-S1305 WeakPolarHBondContact O-CB 3.5Å; E1301-S1305 PolarHBondContact O-N 3.23Å; E1301-S1305 VanDerWaalsContact O-N 3.15Å; E1301-C1335 PolarHBondContact OE1-SG 2.95Å; E1301-K1339 VanDerWaalsContact CD-NZ 3.29Å; E1301-K1339 HydrophobicContact CG-CD 4.19Å; E1301-K1339 VanDerWaalsContact CG-NZ 3.31Å; E1301-K1339 PolarHBondContact O-NZ 3.38Å; E1301-K1339 IonicContact OE1-NZ 3.99Å; E1301-K1339 PolarHBondContact OE1-NZ 3.02Å |
| 1302 | S | 77.9 | Confident | 74.9 | Confident | 26 Ų | 26 | 40 Ų | 40 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -77.9 | -41.7 | 175.7 | 35.1 | 0 | 0 | 0 | 0 | 111.4 | S1298 L1299 L1300 L1304 S1305 I1306 | S1298-S1302 PolarHBondContact O-N 3.22Å; S1298-S1302 PolarHBondContact O-OG 3.33Å; L1299-S1302 VanDerWaalsContact CA-OG 3.32Å; L1299-S1302 WeakPolarHBondContact CA-OG 3.22Å; L1299-S1302 PolarHBondContact O-N 3.41Å; L1299-S1302 VanDerWaalsContact O-N 3.16Å; L1299-S1302 PolarHBondContact O-OG 3.5Å; L1300-S1302 VanDerWaalsContact C-N 3.33Å; L1300-S1302 PolarHBondContact O-N 3.03Å; S1302-L1304 VanDerWaalsContact C-N 3.29Å; S1302-L1304 PolarHBondContact O-N 3.12Å; S1302-S1305 WeakPolarHBondContact O-CB 3.37Å; S1302-S1305 PolarHBondContact O-N 3.44Å; S1302-I1306 WeakPolarHBondContact O-CD1 3.28Å; S1302-I1306 WeakPolarHBondContact O-CG1 3.37Å; S1302-I1306 PolarHBondContact O-N 2.62Å |
| 1303 | I | 79.5 | Confident | 74.9 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 5% | 0.046 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -40.8 | 173.5 | -65.3 | 172.4 | 0 | 0 | 0 | 110.8 | L1284 K1287 F1291 L1299 L1300 I1306 N1307 I1319 | L1284-I1303 HydrophobicContact CD1-CG2 4Å; K1287-I1303 HydrophobicContact CB-CG1 3.94Å; F1291-I1303 HydrophobicContact CB-CD1 3.89Å; F1291-I1303 HydrophobicContact CD2-CD1 3.99Å; F1291-I1303 HydrophobicContact CG-CD1 4.17Å; L1299-I1303 HydrophobicContact CD1-CD1 4.3Å; L1299-I1303 HydrophobicContact CD1-CG1 4.43Å; L1299-I1303 HydrophobicContact CG-CD1 4Å; L1299-I1303 HydrophobicContact CG-CG1 4.49Å; L1299-I1303 WeakPolarHBondContact O-CG1 2.95Å; L1299-I1303 PolarHBondContact O-N 3.29Å; L1300-I1303 PolarHBondContact O-N 3.04Å; I1303-I1306 PolarHBondContact O-N 3.23Å; I1303-N1307 WeakPolarHBondContact CG2-ND2 3.42Å; I1303-N1307 PolarHBondContact O-N 3.28Å; I1303-N1307 PolarHBondContact O-ND2 3.33Å; I1303-I1319 HydrophobicContact CG2-CD1 3.56Å |
| 1304 | L | 77.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -44.5 | 177.1 | -165.4 | 148.5 | 0 | 0 | 0 | 111.1 | L1300 S1302 I1306 N1307 N1308 I1319 V1320 W1336 K1339 L1340 | L1300-L1304 WeakPolarHBondContact O-CB 3.41Å; L1300-L1304 PolarHBondContact O-N 3.28Å; S1302-L1304 VanDerWaalsContact C-N 3.29Å; S1302-L1304 PolarHBondContact O-N 3.12Å; L1304-I1306 VanDerWaalsContact C-N 3.35Å; L1304-I1306 PolarHBondContact O-N 3.14Å; L1304-N1307 PolarHBondContact O-N 3.37Å; L1304-N1308 PolarHBondContact O-N 3.35Å; L1304-N1308 PolarHBondContact O-ND2 3.31Å; L1304-N1308 VanDerWaalsContact O-ND2 3.14Å; L1304-I1319 HydrophobicContact CD1-CG2 4.4Å; L1304-V1320 HydrophobicContact CD1-CG2 3.65Å; L1304-W1336 HydrophobicContact CD1-CD2 4.3Å; L1304-W1336 HydrophobicContact CD1-CE3 4.01Å; L1304-W1336 HydrophobicContact CD1-CZ3 4.3Å; L1304-K1339 HydrophobicContact CD2-CB 3.45Å; L1304-K1339 VanDerWaalsContact CD2-CB 3.45Å; L1304-K1339 HydrophobicContact CD2-CD 4.47Å; L1304-L1340 HydrophobicContact CD1-CD2 4.41Å; L1304-L1340 HydrophobicContact CD2-CD2 4.32Å; L1304-L1340 HydrophobicContact CD2-CG 4.17Å |
| 1305 | S | 77.5 | Confident | 75 | Confident | 25 Ų | 25 | 28.8 Ų | 28.8 | 18% | 0.175 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.3 | -44.3 | 173.2 | -175.1 | 0 | 0 | 0 | 0 | 112.6 | E1301 S1302 N1308 Q1309 | E1301-S1305 WeakPolarHBondContact O-CB 3.5Å; E1301-S1305 PolarHBondContact O-N 3.23Å; E1301-S1305 VanDerWaalsContact O-N 3.15Å; S1302-S1305 WeakPolarHBondContact O-CB 3.37Å; S1302-S1305 PolarHBondContact O-N 3.44Å; S1305-N1308 PolarHBondContact O-N 3.22Å; S1305-Q1309 WeakPolarHBondContact O-CG 3.41Å; S1305-Q1309 PolarHBondContact O-N 2.81Å; S1305-Q1309 VanDerWaalsContact O-N 3.09Å |
| 1306 | I | 78.2 | Confident | 75 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.6 | -43.3 | -177.9 | -66.1 | 161.4 | 0 | 0 | 0 | 110.9 | L1275 Y1280 A1283 L1284 K1287 S1302 I1303 L1304 N1308 Q1309 L1310 | L1275-I1306 HydrophobicContact CD1-CD1 3.7Å; L1275-I1306 HydrophobicContact CD1-CG1 3.59Å; L1275-I1306 HydrophobicContact CG-CG1 4.42Å; Y1280-I1306 VanDerWaalsContact O-CG2 3.31Å; Y1280-I1306 WeakPolarHBondContact O-CG2 3.41Å; A1283-I1306 HydrophobicContact CB-CD1 4.07Å; L1284-I1306 HydrophobicContact CB-CG2 3.77Å; L1284-I1306 HydrophobicContact CD1-CG2 4.12Å; L1284-I1306 HydrophobicContact CG-CG2 4.46Å; K1287-I1306 HydrophobicContact CB-CD1 4.33Å; K1287-I1306 HydrophobicContact CG-CD1 3.94Å; S1302-I1306 WeakPolarHBondContact O-CD1 3.28Å; S1302-I1306 WeakPolarHBondContact O-CG1 3.37Å; S1302-I1306 PolarHBondContact O-N 2.62Å; I1303-I1306 PolarHBondContact O-N 3.23Å; L1304-I1306 VanDerWaalsContact C-N 3.35Å; L1304-I1306 PolarHBondContact O-N 3.14Å; I1306-N1308 VanDerWaalsContact C-N 3.32Å; I1306-N1308 PolarHBondContact O-N 2.84Å; I1306-Q1309 PolarHBondContact O-N 2.93Å; I1306-L1310 HydrophobicContact CG2-CD1 3.83Å; I1306-L1310 PolarHBondContact O-N 2.93Å |
| 1307 | N | 77.7 | Confident | 75 | Confident | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -36.5 | 179.2 | -82.3 | -73.9 | 0 | 0 | 0 | 112.6 | I1303 L1304 L1310 Q1311 L1312 A1315 S1316 | I1303-N1307 WeakPolarHBondContact CG2-ND2 3.42Å; I1303-N1307 PolarHBondContact O-N 3.28Å; I1303-N1307 PolarHBondContact O-ND2 3.33Å; L1304-N1307 PolarHBondContact O-N 3.37Å; N1307-L1310 CarbonylContact O-C 3.57Å; N1307-L1310 PolarHBondContact O-N 3.17Å; N1307-Q1311 PolarHBondContact O-N 3.26Å; N1307-L1312 PolarHBondContact O-N 3.47Å; N1307-A1315 HydrophobicContact CB-CB 4.26Å; N1307-A1315 WeakPolarHBondContact OD1-CB 3.26Å; N1307-S1316 WeakPolarHBondContact CB-OG 3.35Å |
| 1308 | N | 73.1 | Confident | 74.9 | Confident | 12 Ų | 12 | 26.4 Ų | 26.4 | 6% | 0.064 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70 | -38.1 | 175 | -66.3 | -32.7 | 0 | 0 | 0 | 112.1 | L1304 S1305 I1306 L1310 Q1311 S1316 K1339 | L1304-N1308 PolarHBondContact O-N 3.35Å; L1304-N1308 PolarHBondContact O-ND2 3.31Å; L1304-N1308 VanDerWaalsContact O-ND2 3.14Å; S1305-N1308 PolarHBondContact O-N 3.22Å; I1306-N1308 VanDerWaalsContact C-N 3.32Å; I1306-N1308 PolarHBondContact O-N 2.84Å; N1308-L1310 VanDerWaalsContact C-N 3.27Å; N1308-L1310 PolarHBondContact O-N 2.6Å; N1308-Q1311 WeakPolarHBondContact O-CA 3.43Å; N1308-Q1311 PolarHBondContact O-N 3.04Å; N1308-S1316 WeakPolarHBondContact OD1-CB 3.34Å; N1308-S1316 PolarHBondContact OD1-OG 3.29Å; N1308-K1339 VanDerWaalsContact CG-O 3.29Å; N1308-K1339 VanDerWaalsContact ND2-C 3.26Å; N1308-K1339 PolarHBondContact ND2-O 3Å |
| 1309 | Q | 74.1 | Confident | 74.9 | Confident | 78 Ų | 78 | 23.5 Ų | 23.5 | 36% | 0.364 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -63.9 | -32 | 172 | -74.2 | 171.1 | -18.8 | 0 | 0 | 112.7 | Y1280 S1305 I1306 Q1311 | Y1280-Q1309 HydrophobicContact CD1-CB 4.05Å; Y1280-Q1309 HydrophobicContact CD2-CB 3.92Å; Y1280-Q1309 HydrophobicContact CE1-CB 4.02Å; Y1280-Q1309 VanDerWaalsContact CE1-CD 3.4Å; Y1280-Q1309 HydrophobicContact CE1-CG 4.19Å; Y1280-Q1309 HydrophobicContact CE2-CB 3.85Å; Y1280-Q1309 HydrophobicContact CE2-CG 4.45Å; Y1280-Q1309 HydrophobicContact CG-CB 4.01Å; S1305-Q1309 WeakPolarHBondContact O-CG 3.41Å; S1305-Q1309 PolarHBondContact O-N 2.81Å; S1305-Q1309 VanDerWaalsContact O-N 3.09Å; I1306-Q1309 PolarHBondContact O-N 2.93Å; Q1309-Q1311 PolarHBondContact O-N 3.4Å |
| 1310 | L | 73 | Confident | 74.7 | Confident | 28 Ų | 28 | 24.7 Ų | 24.7 | 15% | 0.147 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 5.5 | 170.6 | -74.5 | 161.9 | 0 | 0 | 0 | 113.8 | A1281 L1284 I1306 N1307 N1308 L1312 F2116 | A1281-L1310 HydrophobicContact CB-CD2 4.43Å; L1284-L1310 HydrophobicContact CB-CD1 4.28Å; L1284-L1310 HydrophobicContact CD2-CD1 3.81Å; I1306-L1310 HydrophobicContact CG2-CD1 3.83Å; I1306-L1310 PolarHBondContact O-N 2.93Å; N1307-L1310 CarbonylContact O-C 3.57Å; N1307-L1310 PolarHBondContact O-N 3.17Å; N1308-L1310 VanDerWaalsContact C-N 3.27Å; N1308-L1310 PolarHBondContact O-N 2.6Å; L1310-L1312 VanDerWaalsContact C-N 3.26Å; L1310-L1312 PolarHBondContact O-N 2.8Å; L1310-F2116 HydrophobicContact CB-CE1 4.19Å; L1310-F2116 HydrophobicContact CB-CE2 4.48Å; L1310-F2116 HydrophobicContact CB-CZ 3.71Å; L1310-F2116 HydrophobicContact CD1-CD2 4.35Å; L1310-F2116 HydrophobicContact CD1-CE1 4.41Å; L1310-F2116 HydrophobicContact CD1-CE2 3.82Å; L1310-F2116 HydrophobicContact CD1-CZ 3.82Å; L1310-F2116 HydrophobicContact CD2-CD1 4.33Å; L1310-F2116 HydrophobicContact CD2-CE1 3.92Å; L1310-F2116 HydrophobicContact CD2-CZ 4.11Å; L1310-F2116 HydrophobicContact CG-CE1 4.4Å; L1310-F2116 HydrophobicContact CG-CZ 4.09Å |
| 1311 | Q | 71.1 | Confident | 74.5 | Confident | 100 Ų | 100 | 27.2 Ų | 27.2 | 47% | 0.467 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 32.3 | -178 | -52 | -175.5 | 5.6 | 0 | 0 | 114 | N1307 N1308 Q1309 P1313 | N1307-Q1311 PolarHBondContact O-N 3.26Å; N1308-Q1311 WeakPolarHBondContact O-CA 3.43Å; N1308-Q1311 PolarHBondContact O-N 3.04Å; Q1309-Q1311 PolarHBondContact O-N 3.4Å; Q1311-P1313 WeakPolarHBondContact O-CD 3.35Å |
| 1312 | L | 72.3 | Confident | 74.5 | Confident | 9 Ų | 9 | 25.8 Ų | 25.8 | 5% | 0.047 | 14% | 0.14 | C | C | . | . | trans | -111.2 | 74.9 | 170.9 | -77.4 | -175.9 | 0 | 0 | 0 | 111.6 | N1307 L1310 E1314 A1315 S1316 F2116 T2120 | N1307-L1312 PolarHBondContact O-N 3.47Å; L1310-L1312 VanDerWaalsContact C-N 3.26Å; L1310-L1312 PolarHBondContact O-N 2.8Å; L1312-E1314 PolarHBondContact O-N 3.5Å; L1312-E1314 VanDerWaalsContact O-N 3.15Å; L1312-A1315 HydrophobicContact CB-CB 4.26Å; L1312-A1315 PolarHBondContact O-N 3.42Å; L1312-S1316 PolarHBondContact O-OG 2.94Å; L1312-F2116 HydrophobicContact CD1-CE1 4.14Å; L1312-F2116 HydrophobicContact CD1-CE2 3.44Å; L1312-F2116 VanDerWaalsContact CD1-CE2 3.44Å; L1312-F2116 HydrophobicContact CD1-CZ 3.12Å; L1312-F2116 HydrophobicContact CG-CZ 3.83Å; L1312-T2120 HydrophobicContact CD1-CG2 4.17Å; L1312-T2120 HydrophobicContact CD2-CG2 4.09Å | ||
| 1313 | P | 71.6 | Confident | 74.3 | Confident | 65 Ų | 65 | 24.5 Ų | 24.5 | 42% | 0.422 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -62.5 | -23 | 175.6 | 26.9 | -34.3 | 0 | 0 | 0 | 112.4 | Q1311 S1316 V1317 | Q1311-P1313 WeakPolarHBondContact O-CD 3.35Å; P1313-S1316 WeakPolarHBondContact O-CB 3.5Å; P1313-S1316 PolarHBondContact O-N 2.87Å; P1313-V1317 WeakPolarHBondContact O-CG2 3.49Å; P1313-V1317 PolarHBondContact O-N 3.48Å |
| 1314 | E | 73.6 | Confident | 74 | Confident | 9 Ų | 9 | 31.8 Ų | 31.8 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.9 | -43.7 | -178.9 | -51 | 174.7 | -135.3 | 0 | 0 | 112.2 | L1312 S1316 V1317 G1318 R2020 R2124 G2211 N2212 L2215 | L1312-E1314 PolarHBondContact O-N 3.5Å; L1312-E1314 VanDerWaalsContact O-N 3.15Å; E1314-S1316 VanDerWaalsContact C-N 3.3Å; E1314-S1316 PolarHBondContact O-N 3.44Å; E1314-V1317 PolarHBondContact O-N 3.07Å; E1314-G1318 PolarHBondContact O-N 3.12Å; E1314-R2020 IonicContact OE1-CZ 3.68Å; E1314-R2020 IonicContact OE1-NE 2.75Å; E1314-R2020 PolarHBondContact OE1-NE 3.05Å; E1314-R2020 IonicContact OE1-NH2 3.28Å; E1314-R2020 PolarHBondContact OE1-NH2 3.39Å; E1314-R2020 IonicContact OE2-CZ 3.96Å; E1314-R2020 IonicContact OE2-NE 2.89Å; E1314-R2020 IonicContact OE2-NH2 3.9Å; E1314-R2124 IonicContact OE1-NH2 2.86Å; E1314-R2124 PolarHBondContact OE1-NH2 3.02Å; E1314-G2211 WeakPolarHBondContact O-CA 3.42Å; E1314-N2212 VanDerWaalsContact CB-OD1 3.3Å; E1314-N2212 WeakPolarHBondContact CB-OD1 3.44Å; E1314-N2212 VanDerWaalsContact CD-OD1 3.23Å; E1314-N2212 PolarHBondContact OE2-OD1 2.93Å; E1314-N2212 VanDerWaalsContact OE2-OD1 3.14Å; E1314-L2215 HydrophobicContact CB-CD1 4.1Å; E1314-L2215 HydrophobicContact CG-CD1 4.43Å; E1314-L2215 HydrophobicContact CG-CD2 4.45Å |
| 1315 | A | 72.6 | Confident | 73.6 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.3 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N1307 L1312 V1317 G1318 I1319 E2190 | N1307-A1315 HydrophobicContact CB-CB 4.26Å; N1307-A1315 WeakPolarHBondContact OD1-CB 3.26Å; L1312-A1315 HydrophobicContact CB-CB 4.26Å; L1312-A1315 PolarHBondContact O-N 3.42Å; A1315-V1317 VanDerWaalsContact C-N 3.34Å; A1315-V1317 PolarHBondContact O-N 3.37Å; A1315-G1318 PolarHBondContact O-N 3.06Å; A1315-G1318 VanDerWaalsContact O-N 3.15Å; A1315-I1319 WeakPolarHBondContact O-CG1 3.26Å; A1315-I1319 PolarHBondContact O-N 3.38Å; A1315-E2190 WeakPolarHBondContact CA-OE2 3.48Å; A1315-E2190 WeakPolarHBondContact CB-OE2 3.49Å |
| 1316 | S | 71.8 | Confident | 73.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 176.8 | -51.2 | 0 | 0 | 0 | 0 | 112.2 | N1307 N1308 L1312 P1313 E1314 G1318 I1319 V1320 | N1307-S1316 WeakPolarHBondContact CB-OG 3.35Å; N1308-S1316 WeakPolarHBondContact OD1-CB 3.34Å; N1308-S1316 PolarHBondContact OD1-OG 3.29Å; L1312-S1316 PolarHBondContact O-OG 2.94Å; P1313-S1316 WeakPolarHBondContact O-CB 3.5Å; P1313-S1316 PolarHBondContact O-N 2.87Å; E1314-S1316 VanDerWaalsContact C-N 3.3Å; E1314-S1316 PolarHBondContact O-N 3.44Å; S1316-G1318 VanDerWaalsContact C-N 3.35Å; S1316-I1319 PolarHBondContact O-N 3.26Å; S1316-V1320 VanDerWaalsContact O-CG2 3.22Å; S1316-V1320 WeakPolarHBondContact O-CG2 3.48Å; S1316-V1320 PolarHBondContact O-N 3.01Å |
| 1317 | V | 72.9 | Confident | 72.6 | Confident | 65 Ų | 65 | 44.4 Ų | 44.4 | 39% | 0.394 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.8 | -42.8 | 174 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | P1313 E1314 A1315 I1319 V1320 E1321 L2215 | P1313-V1317 WeakPolarHBondContact O-CG2 3.49Å; P1313-V1317 PolarHBondContact O-N 3.48Å; E1314-V1317 PolarHBondContact O-N 3.07Å; A1315-V1317 VanDerWaalsContact C-N 3.34Å; A1315-V1317 PolarHBondContact O-N 3.37Å; V1317-I1319 VanDerWaalsContact C-N 3.32Å; V1317-I1319 PolarHBondContact O-N 2.74Å; V1317-V1320 WeakPolarHBondContact O-CB 3.28Å; V1317-V1320 PolarHBondContact O-N 2.97Å; V1317-V1320 VanDerWaalsContact O-N 3.14Å; V1317-E1321 PolarHBondContact O-N 3.42Å; V1317-L2215 HydrophobicContact CB-CD1 4.37Å; V1317-L2215 HydrophobicContact CG1-CD1 4.42Å |
| 1318 | G | 72.7 | Confident | 71.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.3 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1314 A1315 S1316 V1320 E1321 Y1322 | E1314-G1318 PolarHBondContact O-N 3.12Å; A1315-G1318 PolarHBondContact O-N 3.06Å; A1315-G1318 VanDerWaalsContact O-N 3.15Å; S1316-G1318 VanDerWaalsContact C-N 3.35Å; G1318-V1320 VanDerWaalsContact C-N 3.33Å; G1318-V1320 PolarHBondContact O-N 3.05Å; G1318-E1321 PolarHBondContact O-N 3.39Å; G1318-Y1322 WeakPolarHBondContact O-CB 3.49Å; G1318-Y1322 PolarHBondContact O-N 2.82Å |
| 1319 | I | 76 | Confident | 71.2 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 175.7 | -64.8 | 161.8 | 0 | 0 | 0 | 111.2 | L1300 I1303 L1304 A1315 S1316 V1317 Y1322 A1323 | L1300-I1319 HydrophobicContact CD2-CG2 3.65Å; I1303-I1319 HydrophobicContact CG2-CD1 3.56Å; L1304-I1319 HydrophobicContact CD1-CG2 4.4Å; A1315-I1319 WeakPolarHBondContact O-CG1 3.26Å; A1315-I1319 PolarHBondContact O-N 3.38Å; S1316-I1319 PolarHBondContact O-N 3.26Å; V1317-I1319 VanDerWaalsContact C-N 3.32Å; V1317-I1319 PolarHBondContact O-N 2.74Å; I1319-Y1322 WeakPolarHBondContact O-CB 3.28Å; I1319-Y1322 PolarHBondContact O-N 3.34Å; I1319-A1323 PolarHBondContact O-N 3.46Å |
| 1320 | V | 74.2 | Confident | 70.4 | Confident | 29 Ų | 29 | 55.6 Ų | 55.6 | 18% | 0.176 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.7 | -46.6 | 177.5 | 176 | 0 | 0 | 0 | 0 | 111.2 | L1304 S1316 V1317 G1318 Y1322 A1323 R1324 W1336 L1340 | L1304-V1320 HydrophobicContact CD1-CG2 3.65Å; S1316-V1320 VanDerWaalsContact O-CG2 3.22Å; S1316-V1320 WeakPolarHBondContact O-CG2 3.48Å; S1316-V1320 PolarHBondContact O-N 3.01Å; V1317-V1320 WeakPolarHBondContact O-CB 3.28Å; V1317-V1320 PolarHBondContact O-N 2.97Å; V1317-V1320 VanDerWaalsContact O-N 3.14Å; G1318-V1320 VanDerWaalsContact C-N 3.33Å; G1318-V1320 PolarHBondContact O-N 3.05Å; V1320-Y1322 VanDerWaalsContact C-N 3.3Å; V1320-Y1322 PolarHBondContact O-N 3.17Å; V1320-A1323 PolarHBondContact O-N 2.94Å; V1320-R1324 WeakPolarHBondContact O-CB 3.24Å; V1320-R1324 PolarHBondContact O-N 2.86Å; V1320-W1336 HydrophobicContact CB-CZ3 4.5Å; V1320-W1336 HydrophobicContact CG2-CE3 3.98Å; V1320-W1336 HydrophobicContact CG2-CZ3 4.16Å; V1320-L1340 HydrophobicContact CG2-CD1 3.69Å; V1320-L1340 HydrophobicContact CG2-CD2 3.97Å; V1320-L1340 HydrophobicContact CG2-CG 4.31Å |
| 1321 | E | 72.4 | Confident | 69.5 | Low | 57 Ų | 57 | 58 Ų | 58 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.6 | -35.9 | 176.5 | -77.4 | -59.3 | 140.4 | 0 | 0 | 111.9 | V1317 G1318 R1324 K1325 | V1317-E1321 PolarHBondContact O-N 3.42Å; G1318-E1321 PolarHBondContact O-N 3.39Å; E1321-R1324 WeakPolarHBondContact O-CB 3.32Å; E1321-R1324 PolarHBondContact O-N 3.37Å; E1321-R1324 IonicContact OE1-NH1 3.19Å; E1321-R1324 PolarHBondContact OE1-NH1 3.02Å; E1321-K1325 PolarHBondContact O-N 3.05Å |
| 1322 | Y | 73.4 | Confident | 68.9 | Low | 9 Ų | 9 | 56 Ų | 56 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.3 | -50.1 | 171.4 | 178.1 | -90.8 | 0 | 0 | 0 | 112.5 | F1291 G1318 I1319 V1320 R1324 K1325 H1326 V2206 T2207 | F1291-Y1322 HydrophobicContact CE2-CE1 4.42Å; F1291-Y1322 HydrophobicContact CZ-CD1 4.49Å; F1291-Y1322 AromaticContact CZ-CE1 3.9Å; F1291-Y1322 HydrophobicContact CZ-CE1 3.9Å; G1318-Y1322 WeakPolarHBondContact O-CB 3.49Å; G1318-Y1322 PolarHBondContact O-N 2.82Å; I1319-Y1322 WeakPolarHBondContact O-CB 3.28Å; I1319-Y1322 PolarHBondContact O-N 3.34Å; V1320-Y1322 VanDerWaalsContact C-N 3.3Å; V1320-Y1322 PolarHBondContact O-N 3.17Å; Y1322-R1324 PolarHBondContact O-N 3.3Å; Y1322-K1325 PolarHBondContact O-N 3.32Å; Y1322-H1326 AromaticContact CD2-CD2 3.59Å; Y1322-H1326 AromaticContact CD2-NE2 3.83Å; Y1322-H1326 AromaticContact CE1-CD2 3.96Å; Y1322-H1326 AromaticContact CE2-CD2 3.33Å; Y1322-H1326 WeakPolarHBondContact CE2-CD2 3.26Å; Y1322-H1326 AromaticContact CE2-NE2 3.29Å; Y1322-H1326 VanDerWaalsContact CE2-NE2 3.29Å; Y1322-H1326 WeakPolarHBondContact CE2-NE2 3.48Å; Y1322-H1326 AromaticContact CZ-CD2 3.53Å; Y1322-H1326 AromaticContact CZ-NE2 3.73Å; Y1322-H1326 PolarHBondContact O-CD2 3.18Å; Y1322-H1326 PolarHBondContact O-N 3.01Å; Y1322-H1326 VanDerWaalsContact O-N 3.12Å; Y1322-V2206 HydrophobicContact CD2-CB 3.65Å; Y1322-V2206 HydrophobicContact CD2-CG2 4.48Å; Y1322-V2206 HydrophobicContact CE2-CB 4.48Å; Y1322-V2206 HydrophobicContact CG-CB 4.35Å; Y1322-T2207 VanDerWaalsContact CB-CG2 3.47Å; Y1322-T2207 HydrophobicContact CD1-CG2 3.83Å; Y1322-T2207 HydrophobicContact CD2-CG2 3.23Å; Y1322-T2207 HydrophobicContact CE1-CG2 4.38Å; Y1322-T2207 HydrophobicContact CE2-CG2 3.86Å; Y1322-T2207 HydrophobicContact CG-CG2 3.22Å |
| 1323 | A | 74.1 | Confident | 68.6 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.8 | -34 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1319 V1320 F1328 W1336 | I1319-A1323 PolarHBondContact O-N 3.46Å; V1320-A1323 PolarHBondContact O-N 2.94Å; A1323-F1328 PolarHBondContact O-N 3.07Å; A1323-W1336 HydrophobicContact CB-CH2 3.49Å; A1323-W1336 VanDerWaalsContact CB-CH2 3.49Å; A1323-W1336 HydrophobicContact CB-CZ3 3.65Å |
| 1324 | R | 74.2 | Confident | 68.4 | Low | 162 Ų | 162 | 59.3 Ų | 59.3 | 61% | 0.611 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -70.6 | -45.7 | 178.2 | -151.1 | -179.3 | -161.9 | 157.2 | 2.9 | 112.7 | V1320 E1321 Y1322 D1327 | V1320-R1324 WeakPolarHBondContact O-CB 3.24Å; V1320-R1324 PolarHBondContact O-N 2.86Å; E1321-R1324 WeakPolarHBondContact O-CB 3.32Å; E1321-R1324 PolarHBondContact O-N 3.37Å; E1321-R1324 IonicContact OE1-NH1 3.19Å; E1321-R1324 PolarHBondContact OE1-NH1 3.02Å; Y1322-R1324 PolarHBondContact O-N 3.3Å; R1324-D1327 PolarHBondContact O-N 3.46Å |
| 1325 | K | 69.7 | Low | 68.1 | Low | 79 Ų | 79 | 60.3 Ų | 60.3 | 34% | 0.343 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71.9 | -27.4 | 179.9 | -67 | -160.8 | -162.3 | 170.1 | 0 | 113.5 | E1321 Y1322 D1327 V2206 E2210 | E1321-K1325 PolarHBondContact O-N 3.05Å; Y1322-K1325 PolarHBondContact O-N 3.32Å; K1325-D1327 VanDerWaalsContact C-N 3.31Å; K1325-V2206 HydrophobicContact CB-CB 4.45Å; K1325-V2206 HydrophobicContact CB-CG1 3.89Å; K1325-V2206 HydrophobicContact CB-CG2 3.97Å; K1325-V2206 HydrophobicContact CD-CB 4.31Å; K1325-V2206 HydrophobicContact CD-CG1 3.38Å; K1325-V2206 HydrophobicContact CD-CG2 3.89Å; K1325-V2206 HydrophobicContact CG-CG1 3.72Å; K1325-V2206 HydrophobicContact CG-CG2 4.43Å; K1325-E2210 IonicContact NZ-OE1 3.61Å; K1325-E2210 PolarHBondContact NZ-OE1 2.79Å |
| 1326 | H | 68.2 | Low | 68 | Low | 72 Ų | 72 | 60.8 Ų | 60.8 | 33% | 0.333 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 8 | 177.4 | -77 | -80.3 | 0 | 0 | 0 | 114 | Y1322 F1328 | Y1322-H1326 AromaticContact CD2-CD2 3.59Å; Y1322-H1326 AromaticContact CD2-NE2 3.83Å; Y1322-H1326 AromaticContact CE1-CD2 3.96Å; Y1322-H1326 AromaticContact CE2-CD2 3.33Å; Y1322-H1326 WeakPolarHBondContact CE2-CD2 3.26Å; Y1322-H1326 AromaticContact CE2-NE2 3.29Å; Y1322-H1326 VanDerWaalsContact CE2-NE2 3.29Å; Y1322-H1326 WeakPolarHBondContact CE2-NE2 3.48Å; Y1322-H1326 AromaticContact CZ-CD2 3.53Å; Y1322-H1326 AromaticContact CZ-NE2 3.73Å; Y1322-H1326 PolarHBondContact O-CD2 3.18Å; Y1322-H1326 PolarHBondContact O-N 3.01Å; Y1322-H1326 VanDerWaalsContact O-N 3.12Å; H1326-F1328 HydrophobicContact CB-CD2 3.93Å; H1326-F1328 HydrophobicContact CB-CE2 4.16Å; H1326-F1328 PolarHBondContact O-N 3.46Å; H1326-F1328 VanDerWaalsContact O-N 3.15Å |
| 1327 | D | 65.8 | Low | 68.2 | Low | 139 Ų | 139 | 64.3 Ų | 64.3 | 74% | 0.743 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 36.3 | 179 | -78 | -34.5 | 0 | 0 | 0 | 113.9 | R1324 K1325 K1329 | R1324-D1327 PolarHBondContact O-N 3.46Å; K1325-D1327 VanDerWaalsContact C-N 3.31Å; D1327-K1329 PolarHBondContact O-N 2.88Å |
| 1328 | F | 64.2 | Low | 68.2 | Low | 82 Ų | 82 | 61.8 Ų | 61.8 | 36% | 0.36 | 29% | 0.292 | S | S | . | . | trans | -64 | 125.6 | 170.5 | -89.5 | -84.2 | 0 | 0 | 0 | 108.8 | V1295 A1323 H1326 I1330 | V1295-F1328 HydrophobicContact CB-CZ 4.33Å; V1295-F1328 HydrophobicContact CG1-CE1 4.32Å; V1295-F1328 HydrophobicContact CG1-CE2 4.11Å; V1295-F1328 HydrophobicContact CG1-CZ 3.67Å; A1323-F1328 PolarHBondContact O-N 3.07Å; H1326-F1328 HydrophobicContact CB-CD2 3.93Å; H1326-F1328 HydrophobicContact CB-CE2 4.16Å; H1326-F1328 PolarHBondContact O-N 3.46Å; H1326-F1328 VanDerWaalsContact O-N 3.15Å; F1328-I1330 VanDerWaalsContact C-N 3.28Å; F1328-I1330 PolarHBondContact O-N 2.83Å | ||
| 1329 | K | 57.9 | Low | 67.9 | Low | 202 Ų | 202 | 64.2 Ų | 64.2 | 88% | 0.878 | 30% | 0.303 | S | S | * | . | trans | -66.3 | 90.5 | 170.5 | -81.6 | -175.8 | 176.8 | 178.5 | 0 | 108.7 | D1327 S1331 | D1327-K1329 PolarHBondContact O-N 2.88Å; K1329-S1331 PolarHBondContact O-N 3.02Å | ||
| 1330 | I | 56.3 | Low | 67.6 | Low | 44 Ų | 44 | 65.1 Ų | 65.1 | 23% | 0.226 | 31% | 0.307 | C | S | . | . | trans | -63 | 104.3 | 172.1 | -56.2 | 167.9 | 0 | 0 | 0 | 106.8 | F1328 D1332 K1333 W1336 | F1328-I1330 VanDerWaalsContact C-N 3.28Å; F1328-I1330 PolarHBondContact O-N 2.83Å; I1330-D1332 VanDerWaalsContact C-N 3.28Å; I1330-D1332 PolarHBondContact O-N 3.31Å; I1330-K1333 HydrophobicContact CB-CG 4.35Å; I1330-K1333 HydrophobicContact CG2-CG 3.97Å; I1330-W1336 HydrophobicContact CD1-CE3 4.38Å; I1330-W1336 HydrophobicContact CD1-CZ3 4.28Å; I1330-W1336 HydrophobicContact CG2-CD2 4.31Å; I1330-W1336 HydrophobicContact CG2-CG 4.46Å | ||
| 1331 | S | 53.8 | Low | 67.4 | Low | 79 Ų | 79 | 67.6 Ų | 67.6 | 55% | 0.552 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -64.7 | -34.6 | 178.7 | 52.2 | 0 | 0 | 0 | 0 | 111.8 | K1329 | K1329-S1331 PolarHBondContact O-N 3.02Š|
| 1332 | D | 60.2 | Low | 67.5 | Low | 57 Ų | 57 | 67.8 Ų | 67.8 | 31% | 0.305 | 32% | 0.319 | S | S | . | . | trans | -131.1 | 77.1 | -170 | -60.3 | -63.6 | 0 | 0 | 0 | 111.9 | I1330 E1334 C1335 K1353 | I1330-D1332 VanDerWaalsContact C-N 3.28Å; I1330-D1332 PolarHBondContact O-N 3.31Å; D1332-E1334 PolarHBondContact O-N 3.02Å; D1332-C1335 HydrophobicContact CB-CB 4.42Å; D1332-C1335 PolarHBondContact O-N 3.45Å; D1332-K1353 IonicContact OD1-NZ 2.79Å; D1332-K1353 PolarHBondContact OD1-NZ 2.97Å | ||
| 1333 | K | 64.9 | Low | 67.7 | Low | 128 Ų | 128 | 68.6 Ų | 68.6 | 56% | 0.557 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.6 | -29.7 | 176.7 | -72.4 | -175.1 | 179 | 179.6 | 0 | 112.8 | I1330 Y1337 | I1330-K1333 HydrophobicContact CB-CG 4.35Å; I1330-K1333 HydrophobicContact CG2-CG 3.97Å; K1333-Y1337 HydrophobicContact CB-CE2 4.4Å; K1333-Y1337 WeakPolarHBondContact O-CD2 3.4Å; K1333-Y1337 PolarHBondContact O-N 3.39Å |
| 1334 | E | 67.3 | Low | 67.9 | Low | 17 Ų | 17 | 73.5 Ų | 73.5 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.8 | -46.9 | -176.2 | -39.7 | 107.5 | -126 | 0 | 0 | 112.5 | D1332 W1336 Y1337 E1338 A1349 Y1350 K1353 | D1332-E1334 PolarHBondContact O-N 3.02Å; E1334-W1336 PolarHBondContact O-N 3.28Å; E1334-Y1337 PolarHBondContact O-N 3.22Å; E1334-Y1337 VanDerWaalsContact O-N 3.13Å; E1334-E1338 PolarHBondContact O-N 3.19Å; E1334-A1349 HydrophobicContact CB-CB 4.07Å; E1334-A1349 HydrophobicContact CG-CB 3.73Å; E1334-Y1350 HydrophobicContact CB-CD1 3.46Å; E1334-Y1350 VanDerWaalsContact CB-CD1 3.46Å; E1334-Y1350 HydrophobicContact CB-CD2 4.03Å; E1334-Y1350 HydrophobicContact CB-CE1 3.29Å; E1334-Y1350 HydrophobicContact CB-CE2 3.86Å; E1334-Y1350 HydrophobicContact CB-CG 3.82Å; E1334-Y1350 VanDerWaalsContact CB-CZ 3.48Å; E1334-Y1350 HydrophobicContact CG-CD1 3.7Å; E1334-Y1350 HydrophobicContact CG-CE1 3.95Å; E1334-Y1350 HydrophobicContact CG-CG 4.14Å; E1334-Y1350 WeakPolarHBondContact OE2-CE1 3.42Å; E1334-K1353 VanDerWaalsContact CD-CD 3.41Å; E1334-K1353 HydrophobicContact CG-CB 4.41Å; E1334-K1353 WeakPolarHBondContact OE1-CD 3.34Å; E1334-K1353 WeakPolarHBondContact OE1-CE 3.33Å; E1334-K1353 WeakPolarHBondContact OE1-CG 3.46Å; E1334-K1353 IonicContact OE1-NZ 3.64Å; E1334-K1353 PolarHBondContact OE1-NZ 3.46Å; E1334-K1353 VanDerWaalsContact OE2-CD 3.27Å; E1334-K1353 WeakPolarHBondContact OE2-CD 3.43Å; E1334-K1353 IonicContact OE2-NZ 3.62Å; E1334-K1353 PolarHBondContact OE2-NZ 3.31Å |
| 1335 | C | 66.8 | Low | 68.1 | Low | 29 Ų | 29 | 70.9 Ų | 70.9 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.3 | -30.8 | -177.8 | -155.2 | 0 | 0 | 0 | 0 | 111.1 | E1301 D1332 K1339 | E1301-C1335 PolarHBondContact OE1-SG 2.95Å; D1332-C1335 HydrophobicContact CB-CB 4.42Å; D1332-C1335 PolarHBondContact O-N 3.45Å; C1335-K1339 WeakPolarHBondContact O-CB 3.47Å; C1335-K1339 VanDerWaalsContact O-CG 3.23Å; C1335-K1339 WeakPolarHBondContact O-CG 3.45Å; C1335-K1339 PolarHBondContact O-N 3.43Å |
| 1336 | W | 72.2 | Confident | 68.6 | Low | 11 Ų | 11 | 67.1 Ų | 67.1 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.9 | -46.9 | 174.4 | -77.7 | 44.8 | 0 | 0 | 0 | 111.9 | L1300 L1304 V1320 A1323 I1330 E1334 E1338 K1339 L1340 | L1300-W1336 HydrophobicContact CB-CH2 4.14Å; L1300-W1336 HydrophobicContact CB-CZ2 3.95Å; L1300-W1336 HydrophobicContact CD1-CH2 4.39Å; L1304-W1336 HydrophobicContact CD1-CD2 4.3Å; L1304-W1336 HydrophobicContact CD1-CE3 4.01Å; L1304-W1336 HydrophobicContact CD1-CZ3 4.3Å; V1320-W1336 HydrophobicContact CB-CZ3 4.5Å; V1320-W1336 HydrophobicContact CG2-CE3 3.98Å; V1320-W1336 HydrophobicContact CG2-CZ3 4.16Å; A1323-W1336 HydrophobicContact CB-CH2 3.49Å; A1323-W1336 VanDerWaalsContact CB-CH2 3.49Å; A1323-W1336 HydrophobicContact CB-CZ3 3.65Å; I1330-W1336 HydrophobicContact CD1-CE3 4.38Å; I1330-W1336 HydrophobicContact CD1-CZ3 4.28Å; I1330-W1336 HydrophobicContact CG2-CD2 4.31Å; I1330-W1336 HydrophobicContact CG2-CG 4.46Å; E1334-W1336 PolarHBondContact O-N 3.28Å; W1336-E1338 VanDerWaalsContact C-N 3.33Å; W1336-E1338 PolarHBondContact O-N 3.44Å; W1336-K1339 PolarHBondContact O-N 3.44Å; W1336-L1340 WeakPolarHBondContact O-CB 3.43Å; W1336-L1340 WeakPolarHBondContact O-CD1 3.15Å; W1336-L1340 VanDerWaalsContact O-CG 3.23Å; W1336-L1340 WeakPolarHBondContact O-CG 3.43Å; W1336-L1340 PolarHBondContact O-N 3.38Å |
| 1337 | Y | 75 | Confident | 69.3 | Low | 74 Ų | 74 | 64.5 Ų | 64.5 | 29% | 0.29 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 175.9 | -69.7 | -55.6 | 0 | 0 | 0 | 112.2 | K1333 E1334 K1339 L1340 H1341 D1342 K1345 A1349 | K1333-Y1337 HydrophobicContact CB-CE2 4.4Å; K1333-Y1337 WeakPolarHBondContact O-CD2 3.4Å; K1333-Y1337 PolarHBondContact O-N 3.39Å; E1334-Y1337 PolarHBondContact O-N 3.22Å; E1334-Y1337 VanDerWaalsContact O-N 3.13Å; Y1337-K1339 VanDerWaalsContact C-N 3.34Å; Y1337-L1340 HydrophobicContact CD1-CD1 4.43Å; Y1337-L1340 PolarHBondContact O-N 2.97Å; Y1337-H1341 PolarHBondContact O-N 3.3Å; Y1337-D1342 PolarHBondContact O-N 3.42Å; Y1337-K1345 HydrophobicContact CD1-CB 3.89Å; Y1337-K1345 HydrophobicContact CD1-CD 4.28Å; Y1337-K1345 HydrophobicContact CD2-CB 4.25Å; Y1337-K1345 HydrophobicContact CE1-CB 4.18Å; Y1337-K1345 HydrophobicContact CE1-CD 3.93Å; Y1337-K1345 HydrophobicContact CE2-CB 4.5Å; Y1337-K1345 HydrophobicContact CG-CB 3.96Å; Y1337-A1349 HydrophobicContact CD2-CB 4.13Å |
| 1338 | E | 72.5 | Confident | 70.1 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.3 | -50.9 | 173.7 | -165.6 | -167 | 179.2 | 0 | 0 | 110 | E1334 W1336 L1340 H1341 W1343 A1346 Y1350 R1369 | E1334-E1338 PolarHBondContact O-N 3.19Å; W1336-E1338 VanDerWaalsContact C-N 3.33Å; W1336-E1338 PolarHBondContact O-N 3.44Å; E1338-L1340 VanDerWaalsContact C-N 3.35Å; E1338-L1340 PolarHBondContact O-N 2.82Å; E1338-H1341 PolarHBondContact O-N 3.39Å; E1338-W1343 HydrophobicContact CG-CE3 4.23Å; E1338-W1343 HydrophobicContact CG-CH2 4.38Å; E1338-W1343 HydrophobicContact CG-CZ3 3.54Å; E1338-A1346 HydrophobicContact CB-CB 4.36Å; E1338-Y1350 HydrophobicContact CB-CE2 4.16Å; E1338-Y1350 HydrophobicContact CG-CE2 4.44Å; E1338-Y1350 PolarHBondContact OE2-OH 3.13Å; E1338-R1369 VanDerWaalsContact CD-NH1 3.33Å; E1338-R1369 WeakPolarHBondContact OE1-CB 3.44Å; E1338-R1369 VanDerWaalsContact OE1-CD 3.29Å; E1338-R1369 WeakPolarHBondContact OE1-CD 3.22Å; E1338-R1369 IonicContact OE1-CZ 3.52Å; E1338-R1369 IonicContact OE1-NE 3.97Å; E1338-R1369 IonicContact OE1-NH1 3.1Å; E1338-R1369 PolarHBondContact OE1-NH1 3.23Å; E1338-R1369 IonicContact OE2-NH1 2.84Å; E1338-R1369 PolarHBondContact OE2-NH1 3.47Å; E1338-R1369 VanDerWaalsContact OE2-NH1 3.17Å |
| 1339 | K | 67.9 | Low | 71 | Confident | 51 Ų | 51 | 60.2 Ų | 60.2 | 22% | 0.222 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65 | -36.6 | -179.7 | -74.2 | 173.4 | 173.2 | 177.7 | 0 | 112.3 | E1301 L1304 N1308 C1335 W1336 Y1337 H1341 | E1301-K1339 VanDerWaalsContact CD-NZ 3.29Å; E1301-K1339 HydrophobicContact CG-CD 4.19Å; E1301-K1339 VanDerWaalsContact CG-NZ 3.31Å; E1301-K1339 PolarHBondContact O-NZ 3.38Å; E1301-K1339 IonicContact OE1-NZ 3.99Å; E1301-K1339 PolarHBondContact OE1-NZ 3.02Å; L1304-K1339 HydrophobicContact CD2-CB 3.45Å; L1304-K1339 VanDerWaalsContact CD2-CB 3.45Å; L1304-K1339 HydrophobicContact CD2-CD 4.47Å; N1308-K1339 VanDerWaalsContact CG-O 3.29Å; N1308-K1339 VanDerWaalsContact ND2-C 3.26Å; N1308-K1339 PolarHBondContact ND2-O 3Å; C1335-K1339 WeakPolarHBondContact O-CB 3.47Å; C1335-K1339 VanDerWaalsContact O-CG 3.23Å; C1335-K1339 WeakPolarHBondContact O-CG 3.45Å; C1335-K1339 PolarHBondContact O-N 3.43Å; W1336-K1339 PolarHBondContact O-N 3.44Å; Y1337-K1339 VanDerWaalsContact C-N 3.34Å; K1339-H1341 PolarHBondContact O-N 3.39Å; K1339-H1341 VanDerWaalsContact O-N 3.14Å |
| 1340 | L | 68.9 | Low | 72.3 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 17% | 0.173 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -2.5 | 177.4 | -73.2 | 161.9 | 0 | 0 | 0 | 114.4 | L1304 V1320 W1336 Y1337 E1338 D1342 | L1304-L1340 HydrophobicContact CD1-CD2 4.41Å; L1304-L1340 HydrophobicContact CD2-CD2 4.32Å; L1304-L1340 HydrophobicContact CD2-CG 4.17Å; V1320-L1340 HydrophobicContact CG2-CD1 3.69Å; V1320-L1340 HydrophobicContact CG2-CD2 3.97Å; V1320-L1340 HydrophobicContact CG2-CG 4.31Å; W1336-L1340 WeakPolarHBondContact O-CB 3.43Å; W1336-L1340 WeakPolarHBondContact O-CD1 3.15Å; W1336-L1340 VanDerWaalsContact O-CG 3.23Å; W1336-L1340 WeakPolarHBondContact O-CG 3.43Å; W1336-L1340 PolarHBondContact O-N 3.38Å; Y1337-L1340 HydrophobicContact CD1-CD1 4.43Å; Y1337-L1340 PolarHBondContact O-N 2.97Å; E1338-L1340 VanDerWaalsContact C-N 3.35Å; E1338-L1340 PolarHBondContact O-N 2.82Å; L1340-D1342 HydrophobicContact CB-CB 4.46Å; L1340-D1342 PolarHBondContact O-N 2.96Å |
| 1341 | H | 70.3 | Confident | 73.6 | Confident | 82 Ų | 82 | 51.1 Ų | 51.1 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 21 | -170.8 | -57.2 | -74.8 | 0 | 0 | 0 | 114 | Y1337 E1338 K1339 W1343 | Y1337-H1341 PolarHBondContact O-N 3.3Å; E1338-H1341 PolarHBondContact O-N 3.39Å; K1339-H1341 PolarHBondContact O-N 3.39Å; K1339-H1341 VanDerWaalsContact O-N 3.14Å; H1341-W1343 VanDerWaalsContact C-N 3.26Å; H1341-W1343 AromaticContact ND1-CE2 3.89Å; H1341-W1343 AromaticContact ND1-CZ2 3.38Å; H1341-W1343 WeakPolarHBondContact ND1-CZ2 3.49Å; H1341-W1343 VanDerWaalsContact O-CD1 3.22Å; H1341-W1343 PolarHBondContact O-N 3.44Å |
| 1342 | D | 73.7 | Confident | 75 | Confident | 60 Ų | 60 | 54.9 Ų | 54.9 | 32% | 0.321 | 25% | 0.253 | S | S | . | . | trans | -93.1 | 63.6 | 175.2 | -149 | 1.8 | 0 | 0 | 0 | 109.1 | Y1337 L1340 E1344 K1345 A1346 | Y1337-D1342 PolarHBondContact O-N 3.42Å; L1340-D1342 HydrophobicContact CB-CB 4.46Å; L1340-D1342 PolarHBondContact O-N 2.96Å; D1342-E1344 PolarHBondContact O-N 2.96Å; D1342-E1344 VanDerWaalsContact O-N 3.13Å; D1342-K1345 PolarHBondContact O-N 2.9Å; D1342-K1345 WeakPolarHBondContact OD2-CD 3.47Å; D1342-K1345 IonicContact OD2-NZ 3.55Å; D1342-K1345 PolarHBondContact OD2-NZ 3.24Å; D1342-A1346 PolarHBondContact O-N 3.5Å | ||
| 1343 | W | 78.2 | Confident | 75.8 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 10% | 0.102 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.1 | -27.9 | -166.2 | -56.9 | 109.7 | 0 | 0 | 0 | 114.3 | E1338 H1341 L1347 C1370 A1373 L1374 E1518 | E1338-W1343 HydrophobicContact CG-CE3 4.23Å; E1338-W1343 HydrophobicContact CG-CH2 4.38Å; E1338-W1343 HydrophobicContact CG-CZ3 3.54Å; H1341-W1343 VanDerWaalsContact C-N 3.26Å; H1341-W1343 AromaticContact ND1-CE2 3.89Å; H1341-W1343 AromaticContact ND1-CZ2 3.38Å; H1341-W1343 WeakPolarHBondContact ND1-CZ2 3.49Å; H1341-W1343 VanDerWaalsContact O-CD1 3.22Å; H1341-W1343 PolarHBondContact O-N 3.44Å; W1343-L1347 VanDerWaalsContact O-CB 3.29Å; W1343-L1347 WeakPolarHBondContact O-CB 3.32Å; W1343-L1347 PolarHBondContact O-N 3.37Å; W1343-C1370 HydrophobicContact CE3-CB 4.31Å; W1343-A1373 HydrophobicContact CD2-CB 3.5Å; W1343-A1373 VanDerWaalsContact CD2-CB 3.5Å; W1343-A1373 HydrophobicContact CE3-CB 3.97Å; W1343-A1373 HydrophobicContact CG-CB 3.88Å; W1343-A1373 HydrophobicContact CH2-CB 4.1Å; W1343-A1373 HydrophobicContact CZ2-CB 3.65Å; W1343-A1373 HydrophobicContact CZ3-CB 4.23Å; W1343-L1374 HydrophobicContact CB-CD1 4.19Å; W1343-L1374 HydrophobicContact CB-CD2 3.9Å; W1343-L1374 HydrophobicContact CB-CG 3.81Å; W1343-E1518 PolarHBondContact NE1-OE1 3.17Å |
| 1344 | E | 78.2 | Confident | 76.4 | Confident | 102 Ų | 102 | 49.3 Ų | 49.3 | 48% | 0.477 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.8 | -48.6 | 177.3 | -71.7 | -177.6 | 173.2 | 0 | 0 | 111.5 | D1342 A1346 L1347 E1348 L1374 | D1342-E1344 PolarHBondContact O-N 2.96Å; D1342-E1344 VanDerWaalsContact O-N 3.13Å; E1344-A1346 VanDerWaalsContact C-N 3.31Å; E1344-A1346 PolarHBondContact O-N 3.33Å; E1344-L1347 PolarHBondContact O-N 3.39Å; E1344-E1348 PolarHBondContact O-N 3.35Å; E1344-L1374 HydrophobicContact CG-CD2 4Å |
| 1345 | K | 78 | Confident | 77.1 | Confident | 107 Ų | 107 | 56.2 Ų | 56.2 | 47% | 0.465 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.7 | -34.8 | 176.1 | -65.8 | -173.1 | -167 | 129.3 | 0 | 111.7 | Y1337 D1342 E1348 A1349 | Y1337-K1345 HydrophobicContact CD1-CB 3.89Å; Y1337-K1345 HydrophobicContact CD1-CD 4.28Å; Y1337-K1345 HydrophobicContact CD2-CB 4.25Å; Y1337-K1345 HydrophobicContact CE1-CB 4.18Å; Y1337-K1345 HydrophobicContact CE1-CD 3.93Å; Y1337-K1345 HydrophobicContact CE2-CB 4.5Å; Y1337-K1345 HydrophobicContact CG-CB 3.96Å; D1342-K1345 PolarHBondContact O-N 2.9Å; D1342-K1345 WeakPolarHBondContact OD2-CD 3.47Å; D1342-K1345 IonicContact OD2-NZ 3.55Å; D1342-K1345 PolarHBondContact OD2-NZ 3.24Å; K1345-E1348 PolarHBondContact O-N 2.97Å; K1345-A1349 VanDerWaalsContact O-CB 3.28Å; K1345-A1349 WeakPolarHBondContact O-CB 3.06Å; K1345-A1349 PolarHBondContact O-N 2.85Å |
| 1346 | A | 81.5 | Confident | 77.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | E1338 D1342 E1344 E1348 A1349 Y1350 C1370 | E1338-A1346 HydrophobicContact CB-CB 4.36Å; D1342-A1346 PolarHBondContact O-N 3.5Å; E1344-A1346 VanDerWaalsContact C-N 3.31Å; E1344-A1346 PolarHBondContact O-N 3.33Å; A1346-E1348 PolarHBondContact O-N 3.43Å; A1346-A1349 PolarHBondContact O-N 3.5Å; A1346-Y1350 HydrophobicContact CB-CD2 4.48Å; A1346-Y1350 HydrophobicContact CB-CE2 4.44Å; A1346-Y1350 WeakPolarHBondContact O-CB 3.31Å; A1346-Y1350 WeakPolarHBondContact O-CD2 3.47Å; A1346-Y1350 PolarHBondContact O-N 2.88Å; A1346-C1370 VanDerWaalsContact CB-SG 3.56Å |
| 1347 | L | 82.3 | Confident | 77.8 | Confident | 18 Ų | 18 | 65.4 Ų | 65.4 | 9% | 0.094 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 177.7 | -169.8 | 73.4 | 0 | 0 | 0 | 111.5 | W1343 E1344 A1349 Y1350 D1351 R1367 C1370 L1371 L1374 | W1343-L1347 VanDerWaalsContact O-CB 3.29Å; W1343-L1347 WeakPolarHBondContact O-CB 3.32Å; W1343-L1347 PolarHBondContact O-N 3.37Å; E1344-L1347 PolarHBondContact O-N 3.39Å; L1347-A1349 VanDerWaalsContact C-N 3.3Å; L1347-A1349 PolarHBondContact O-N 3.22Å; L1347-Y1350 PolarHBondContact O-N 3.31Å; L1347-D1351 WeakPolarHBondContact O-CB 3.46Å; L1347-D1351 VanDerWaalsContact O-CG 3.3Å; L1347-D1351 PolarHBondContact O-N 2.82Å; L1347-R1367 HydrophobicContact CD1-CB 4.35Å; L1347-R1367 HydrophobicContact CD1-CG 4.46Å; L1347-C1370 HydrophobicContact CB-CB 4.15Å; L1347-C1370 HydrophobicContact CD1-CB 3.88Å; L1347-L1371 HydrophobicContact CD1-CD1 4.47Å; L1347-L1371 HydrophobicContact CD1-CD2 3.99Å; L1347-L1371 HydrophobicContact CD1-CG 3.83Å; L1347-L1371 HydrophobicContact CD2-CD2 3.89Å; L1347-L1374 HydrophobicContact CD2-CD1 4.14Å |
| 1348 | E | 83.2 | Confident | 77.7 | Confident | 114 Ų | 114 | 66.4 Ų | 66.4 | 53% | 0.533 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 177.4 | -132.4 | -171.2 | -156.8 | 0 | 0 | 112.1 | E1344 K1345 A1346 R1352 | E1344-E1348 PolarHBondContact O-N 3.35Å; K1345-E1348 PolarHBondContact O-N 2.97Å; A1346-E1348 PolarHBondContact O-N 3.43Å; E1348-R1352 PolarHBondContact O-N 3.12Å; E1348-R1352 VanDerWaalsContact O-N 3.13Å |
| 1349 | A | 81.8 | Confident | 77.6 | Confident | 17 Ų | 17 | 75.2 Ų | 75.2 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.6 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1334 Y1337 K1345 A1346 L1347 R1352 K1353 | E1334-A1349 HydrophobicContact CB-CB 4.07Å; E1334-A1349 HydrophobicContact CG-CB 3.73Å; Y1337-A1349 HydrophobicContact CD2-CB 4.13Å; K1345-A1349 VanDerWaalsContact O-CB 3.28Å; K1345-A1349 WeakPolarHBondContact O-CB 3.06Å; K1345-A1349 PolarHBondContact O-N 2.85Å; A1346-A1349 PolarHBondContact O-N 3.5Å; L1347-A1349 VanDerWaalsContact C-N 3.3Å; L1347-A1349 PolarHBondContact O-N 3.22Å; A1349-R1352 PolarHBondContact O-N 2.99Å; A1349-K1353 PolarHBondContact O-N 3.03Å |
| 1350 | Y | 84.7 | Confident | 78 | Confident | 11 Ų | 11 | 76.3 Ų | 76.3 | 4% | 0.043 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 175.8 | -78.1 | -58.4 | 0 | 0 | 0 | 112.2 | E1334 E1338 A1346 L1347 R1352 K1353 Q1354 I1363 R1367 | E1334-Y1350 HydrophobicContact CB-CD1 3.46Å; E1334-Y1350 VanDerWaalsContact CB-CD1 3.46Å; E1334-Y1350 HydrophobicContact CB-CD2 4.03Å; E1334-Y1350 HydrophobicContact CB-CE1 3.29Å; E1334-Y1350 HydrophobicContact CB-CE2 3.86Å; E1334-Y1350 HydrophobicContact CB-CG 3.82Å; E1334-Y1350 VanDerWaalsContact CB-CZ 3.48Å; E1334-Y1350 HydrophobicContact CG-CD1 3.7Å; E1334-Y1350 HydrophobicContact CG-CE1 3.95Å; E1334-Y1350 HydrophobicContact CG-CG 4.14Å; E1334-Y1350 WeakPolarHBondContact OE2-CE1 3.42Å; E1338-Y1350 HydrophobicContact CB-CE2 4.16Å; E1338-Y1350 HydrophobicContact CG-CE2 4.44Å; E1338-Y1350 PolarHBondContact OE2-OH 3.13Å; A1346-Y1350 HydrophobicContact CB-CD2 4.48Å; A1346-Y1350 HydrophobicContact CB-CE2 4.44Å; A1346-Y1350 WeakPolarHBondContact O-CB 3.31Å; A1346-Y1350 WeakPolarHBondContact O-CD2 3.47Å; A1346-Y1350 PolarHBondContact O-N 2.88Å; L1347-Y1350 PolarHBondContact O-N 3.31Å; Y1350-R1352 VanDerWaalsContact C-N 3.35Å; Y1350-R1352 PolarHBondContact O-N 3.37Å; Y1350-K1353 PolarHBondContact O-N 2.56Å; Y1350-Q1354 WeakPolarHBondContact O-CB 3.38Å; Y1350-Q1354 PolarHBondContact O-N 3.31Å; Y1350-I1363 HydrophobicContact CD1-CG2 3.84Å; Y1350-R1367 VanDerWaalsContact CB-CG 3.5Å; Y1350-R1367 HydrophobicContact CG-CG 4.27Å |
| 1351 | D | 84 | Confident | 78.3 | Confident | 43 Ų | 43 | 76.1 Ų | 76.1 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.9 | -47.2 | 175.2 | -79.5 | -18.3 | 0 | 0 | 0 | 110.1 | L1347 K1353 Q1354 E1355 R1367 | L1347-D1351 WeakPolarHBondContact O-CB 3.46Å; L1347-D1351 VanDerWaalsContact O-CG 3.3Å; L1347-D1351 PolarHBondContact O-N 2.82Å; D1351-K1353 PolarHBondContact O-N 2.88Å; D1351-Q1354 PolarHBondContact O-N 3.13Å; D1351-E1355 PolarHBondContact O-N 3.27Å; D1351-R1367 IonicContact OD1-CZ 2.76Å; D1351-R1367 IonicContact OD1-NE 3.63Å; D1351-R1367 PolarHBondContact OD1-NE 2.86Å; D1351-R1367 IonicContact OD1-NH2 3.67Å; D1351-R1367 PolarHBondContact OD1-NH2 3.24Å |
| 1352 | R | 83 | Confident | 78.6 | Confident | 159 Ų | 159 | 76.2 Ų | 76.2 | 60% | 0.6 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.8 | -38.7 | 174.2 | -77.3 | -175.8 | -173.2 | 135 | 9.6 | 113.3 | E1348 A1349 Y1350 | E1348-R1352 PolarHBondContact O-N 3.12Å; E1348-R1352 VanDerWaalsContact O-N 3.13Å; A1349-R1352 PolarHBondContact O-N 2.99Å; Y1350-R1352 VanDerWaalsContact C-N 3.35Å; Y1350-R1352 PolarHBondContact O-N 3.37Å |
| 1353 | K | 76.8 | Confident | 78.9 | Confident | 41 Ų | 41 | 73.8 Ų | 73.8 | 18% | 0.178 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -75.4 | -31.3 | -179.3 | -135 | -147.2 | -143.5 | 146.8 | 0 | 112.5 | D1332 E1334 A1349 Y1350 D1351 E1355 L1356 H1357 I1363 | D1332-K1353 IonicContact OD1-NZ 2.79Å; D1332-K1353 PolarHBondContact OD1-NZ 2.97Å; E1334-K1353 VanDerWaalsContact CD-CD 3.41Å; E1334-K1353 HydrophobicContact CG-CB 4.41Å; E1334-K1353 WeakPolarHBondContact OE1-CD 3.34Å; E1334-K1353 WeakPolarHBondContact OE1-CE 3.33Å; E1334-K1353 WeakPolarHBondContact OE1-CG 3.46Å; E1334-K1353 IonicContact OE1-NZ 3.64Å; E1334-K1353 PolarHBondContact OE1-NZ 3.46Å; E1334-K1353 VanDerWaalsContact OE2-CD 3.27Å; E1334-K1353 WeakPolarHBondContact OE2-CD 3.43Å; E1334-K1353 IonicContact OE2-NZ 3.62Å; E1334-K1353 PolarHBondContact OE2-NZ 3.31Å; A1349-K1353 PolarHBondContact O-N 3.03Å; Y1350-K1353 PolarHBondContact O-N 2.56Å; D1351-K1353 PolarHBondContact O-N 2.88Å; K1353-E1355 VanDerWaalsContact C-N 3.29Å; K1353-E1355 PolarHBondContact O-N 3.15Å; K1353-L1356 WeakPolarHBondContact O-CB 3.46Å; K1353-L1356 PolarHBondContact O-N 2.82Å; K1353-L1356 VanDerWaalsContact O-N 3.11Å; K1353-H1357 PolarHBondContact O-N 3.14Å; K1353-I1363 HydrophobicContact CB-CD1 4.32Å; K1353-I1363 HydrophobicContact CB-CG2 4.37Å; K1353-I1363 HydrophobicContact CD-CD1 3.67Å; K1353-I1363 HydrophobicContact CD-CG1 4.33Å; K1353-I1363 HydrophobicContact CG-CD1 4.35Å |
| 1354 | Q | 78.5 | Confident | 79.1 | Confident | 26 Ų | 26 | 72.6 Ų | 72.6 | 12% | 0.121 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.8 | -34.1 | 174.5 | -163.7 | 91.3 | 27.2 | 0 | 0 | 111.4 | Y1350 D1351 L1356 H1357 P1358 I1363 T1364 | Y1350-Q1354 WeakPolarHBondContact O-CB 3.38Å; Y1350-Q1354 PolarHBondContact O-N 3.31Å; D1351-Q1354 PolarHBondContact O-N 3.13Å; Q1354-L1356 PolarHBondContact O-N 3.2Å; Q1354-H1357 CarbonylContact O-C 3.54Å; Q1354-H1357 PolarHBondContact O-N 3.16Å; Q1354-P1358 PolarHBondContact NE2-O 3.35Å; Q1354-P1358 WeakPolarHBondContact O-CA 2.97Å; Q1354-I1363 HydrophobicContact CB-CG2 4.23Å; Q1354-T1364 PolarHBondContact NE2-OG1 3Å; Q1354-T1364 PolarHBondContact OE1-OG1 3.33Å |
| 1355 | E | 80.8 | Confident | 79.3 | Confident | 163 Ų | 163 | 68.1 Ų | 68.1 | 76% | 0.762 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.2 | -34.5 | 172.1 | -71.5 | -179.9 | 172.4 | 0 | 0 | 111.9 | D1351 K1353 | D1351-E1355 PolarHBondContact O-N 3.27Å; K1353-E1355 VanDerWaalsContact C-N 3.29Å; K1353-E1355 PolarHBondContact O-N 3.15Å |
| 1356 | L | 79.2 | Confident | 79.5 | Confident | 131 Ų | 131 | 63 Ų | 63 | 69% | 0.686 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -77.8 | -38.6 | 175.2 | -72.2 | 160.2 | 0 | 0 | 0 | 112.7 | K1353 Q1354 | K1353-L1356 WeakPolarHBondContact O-CB 3.46Å; K1353-L1356 PolarHBondContact O-N 2.82Å; K1353-L1356 VanDerWaalsContact O-N 3.11Å; Q1354-L1356 PolarHBondContact O-N 3.2Å |
| 1357 | H | 76.1 | Confident | 79.6 | Confident | 102 Ų | 102 | 65.4 Ų | 65.4 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | trans | -128.4 | 83.6 | -176.8 | -63.1 | -65.1 | 0 | 0 | 0 | 111.8 | K1353 Q1354 K1359 D1360 I1363 | K1353-H1357 PolarHBondContact O-N 3.14Å; Q1354-H1357 CarbonylContact O-C 3.54Å; Q1354-H1357 PolarHBondContact O-N 3.16Å; H1357-K1359 VanDerWaalsContact C-N 3.29Å; H1357-K1359 PolarHBondContact O-N 3.48Å; H1357-D1360 HydrophobicContact CB-CB 4.19Å; H1357-D1360 PolarHBondContact O-N 3.21Å; H1357-I1363 HydrophobicContact CB-CD1 3.92Å | ||
| 1358 | P | 71.7 | Confident | 79.8 | Confident | 94 Ų | 94 | 64.5 Ų | 64.5 | 61% | 0.61 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -24.1 | -168.8 | -22.3 | 32.1 | 0 | 0 | 0 | 115.4 | Q1354 | Q1354-P1358 PolarHBondContact NE2-O 3.35Å; Q1354-P1358 WeakPolarHBondContact O-CA 2.97Å |
| 1359 | K | 70.1 | Confident | 79.8 | Confident | 199 Ų | 199 | 63.6 Ų | 63.6 | 87% | 0.865 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 1.5 | -171.8 | -69.5 | -172.4 | 176.5 | -177.6 | 0 | 114.2 | H1357 M1361 | H1357-K1359 VanDerWaalsContact C-N 3.29Å; H1357-K1359 PolarHBondContact O-N 3.48Å; K1359-M1361 PolarHBondContact O-N 2.77Å |
| 1360 | D | 77 | Confident | 79.9 | Confident | 74 Ų | 74 | 62.8 Ų | 62.8 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | trans | -78.8 | 116.5 | -174.1 | -149.5 | -15.1 | 0 | 0 | 0 | 110.9 | H1357 D1362 I1363 T1364 | H1357-D1360 HydrophobicContact CB-CB 4.19Å; H1357-D1360 PolarHBondContact O-N 3.21Å; D1360-D1362 VanDerWaalsContact C-N 3.35Å; D1360-D1362 PolarHBondContact O-N 2.88Å; D1360-I1363 HydrophobicContact CB-CB 4.47Å; D1360-I1363 HydrophobicContact CB-CD1 3.76Å; D1360-I1363 HydrophobicContact CB-CG1 3.97Å; D1360-T1364 PolarHBondContact O-N 2.98Å; D1360-T1364 PolarHBondContact O-OG1 3.41Å | ||
| 1361 | M | 75.4 | Confident | 79.9 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 14% | 0.138 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73 | -28.6 | -172.3 | -82.4 | -60.3 | -46.7 | 0 | 0 | 112.3 | K1359 T1364 L1365 C1391 | K1359-M1361 PolarHBondContact O-N 2.77Å; M1361-T1364 WeakPolarHBondContact O-CB 3.32Å; M1361-T1364 PolarHBondContact O-N 3.1Å; M1361-L1365 WeakPolarHBondContact O-CB 3.49Å; M1361-L1365 PolarHBondContact O-N 3.45Å; M1361-C1391 WeakPolarHBondContact CE-SG 3.43Å |
| 1362 | D | 77.3 | Confident | 79.9 | Confident | 85 Ų | 85 | 61.8 Ų | 61.8 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.2 | -40.1 | 179.1 | -73.9 | -39.2 | 0 | 0 | 0 | 111.8 | D1360 T1364 L1365 G1366 Y1395 | D1360-D1362 VanDerWaalsContact C-N 3.35Å; D1360-D1362 PolarHBondContact O-N 2.88Å; D1362-T1364 VanDerWaalsContact C-N 3.33Å; D1362-L1365 WeakPolarHBondContact O-CB 3.46Å; D1362-L1365 PolarHBondContact O-N 2.96Å; D1362-G1366 PolarHBondContact O-N 3.33Å; D1362-Y1395 WeakPolarHBondContact OD1-CE1 3.29Å |
| 1363 | I | 79.1 | Confident | 79.5 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 5% | 0.046 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 172.8 | -54.3 | 179.1 | 0 | 0 | 0 | 109.6 | Y1350 K1353 Q1354 H1357 D1360 L1365 G1366 R1367 | Y1350-I1363 HydrophobicContact CD1-CG2 3.84Å; K1353-I1363 HydrophobicContact CB-CD1 4.32Å; K1353-I1363 HydrophobicContact CB-CG2 4.37Å; K1353-I1363 HydrophobicContact CD-CD1 3.67Å; K1353-I1363 HydrophobicContact CD-CG1 4.33Å; K1353-I1363 HydrophobicContact CG-CD1 4.35Å; Q1354-I1363 HydrophobicContact CB-CG2 4.23Å; H1357-I1363 HydrophobicContact CB-CD1 3.92Å; D1360-I1363 HydrophobicContact CB-CB 4.47Å; D1360-I1363 HydrophobicContact CB-CD1 3.76Å; D1360-I1363 HydrophobicContact CB-CG1 3.97Å; I1363-L1365 VanDerWaalsContact C-N 3.31Å; I1363-L1365 PolarHBondContact O-N 2.84Å; I1363-G1366 PolarHBondContact O-N 3.17Å; I1363-G1366 VanDerWaalsContact O-N 3.13Å; I1363-R1367 PolarHBondContact O-N 3.04Å |
| 1364 | T | 82.3 | Confident | 79.7 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.8 | -41 | 178 | -46.5 | 0 | 0 | 0 | 0 | 111 | Q1354 D1360 M1361 D1362 R1367 M1368 I1383 | Q1354-T1364 PolarHBondContact NE2-OG1 3Å; Q1354-T1364 PolarHBondContact OE1-OG1 3.33Å; D1360-T1364 PolarHBondContact O-N 2.98Å; D1360-T1364 PolarHBondContact O-OG1 3.41Å; M1361-T1364 WeakPolarHBondContact O-CB 3.32Å; M1361-T1364 PolarHBondContact O-N 3.1Å; D1362-T1364 VanDerWaalsContact C-N 3.33Å; T1364-R1367 PolarHBondContact O-N 2.83Å; T1364-M1368 HydrophobicContact CG2-CE 4.38Å; T1364-M1368 VanDerWaalsContact O-CG 3.31Å; T1364-M1368 WeakPolarHBondContact O-CG 3.41Å; T1364-M1368 PolarHBondContact O-N 3.36Å; T1364-I1383 HydrophobicContact CG2-CG2 3.84Å |
| 1365 | L | 82.2 | Confident | 79.6 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.2 | -38 | 173.5 | -101.7 | 156 | 0 | 0 | 0 | 112.6 | M1361 D1362 I1363 M1368 R1369 Y1395 V1399 I1402 | M1361-L1365 WeakPolarHBondContact O-CB 3.49Å; M1361-L1365 PolarHBondContact O-N 3.45Å; D1362-L1365 WeakPolarHBondContact O-CB 3.46Å; D1362-L1365 PolarHBondContact O-N 2.96Å; I1363-L1365 VanDerWaalsContact C-N 3.31Å; I1363-L1365 PolarHBondContact O-N 2.84Å; L1365-M1368 PolarHBondContact O-N 3.41Å; L1365-R1369 PolarHBondContact O-N 3.49Å; L1365-Y1395 HydrophobicContact CD1-CD1 3.47Å; L1365-Y1395 VanDerWaalsContact CD1-CD1 3.47Å; L1365-Y1395 HydrophobicContact CD1-CE1 4.02Å; L1365-Y1395 HydrophobicContact CD1-CG 4.41Å; L1365-V1399 HydrophobicContact CD1-CG2 4.47Å; L1365-V1399 HydrophobicContact CD2-CG2 4.15Å; L1365-V1399 HydrophobicContact CG-CG2 4.24Å; L1365-I1402 HydrophobicContact CD2-CD1 4.08Å |
| 1366 | G | 81.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60 | -46.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1362 I1363 M1368 R1369 C1370 | D1362-G1366 PolarHBondContact O-N 3.33Å; I1363-G1366 PolarHBondContact O-N 3.17Å; I1363-G1366 VanDerWaalsContact O-N 3.13Å; G1366-M1368 VanDerWaalsContact C-N 3.34Å; G1366-M1368 PolarHBondContact O-N 3.21Å; G1366-R1369 PolarHBondContact O-N 3.23Å; G1366-C1370 PolarHBondContact O-N 3.18Å; G1366-C1370 PolarHBondContact O-SG 3.05Å |
| 1367 | R | 84.3 | Confident | 79.8 | Confident | 50 Ų | 50 | 43.5 Ų | 43.5 | 19% | 0.189 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | 171.8 | -69.5 | 178.8 | 74.4 | -157.5 | 9.8 | 111.8 | L1347 Y1350 D1351 I1363 T1364 R1369 C1370 L1371 | L1347-R1367 HydrophobicContact CD1-CB 4.35Å; L1347-R1367 HydrophobicContact CD1-CG 4.46Å; Y1350-R1367 VanDerWaalsContact CB-CG 3.5Å; Y1350-R1367 HydrophobicContact CG-CG 4.27Å; D1351-R1367 IonicContact OD1-CZ 2.76Å; D1351-R1367 IonicContact OD1-NE 3.63Å; D1351-R1367 PolarHBondContact OD1-NE 2.86Å; D1351-R1367 IonicContact OD1-NH2 3.67Å; D1351-R1367 PolarHBondContact OD1-NH2 3.24Å; I1363-R1367 PolarHBondContact O-N 3.04Å; T1364-R1367 PolarHBondContact O-N 2.83Å; R1367-R1369 VanDerWaalsContact C-N 3.34Å; R1367-R1369 PolarHBondContact O-N 2.96Å; R1367-C1370 PolarHBondContact O-N 3.45Å; R1367-L1371 WeakPolarHBondContact O-CB 3.47Å; R1367-L1371 VanDerWaalsContact O-CG 3.29Å; R1367-L1371 WeakPolarHBondContact O-CG 3.44Å; R1367-L1371 PolarHBondContact O-N 3.38Å |
| 1368 | M | 85.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.7 | -44.5 | -179.9 | -75.4 | -176.1 | 175.5 | 0 | 0 | 111.7 | T1364 L1365 G1366 L1371 E1372 L1380 I1383 V1384 V1399 I1402 | T1364-M1368 HydrophobicContact CG2-CE 4.38Å; T1364-M1368 VanDerWaalsContact O-CG 3.31Å; T1364-M1368 WeakPolarHBondContact O-CG 3.41Å; T1364-M1368 PolarHBondContact O-N 3.36Å; L1365-M1368 PolarHBondContact O-N 3.41Å; G1366-M1368 VanDerWaalsContact C-N 3.34Å; G1366-M1368 PolarHBondContact O-N 3.21Å; M1368-L1371 PolarHBondContact O-N 3.13Å; M1368-E1372 PolarHBondContact O-N 3.37Å; M1368-L1380 HydrophobicContact CB-CD1 3.64Å; M1368-L1380 HydrophobicContact CG-CD1 3.69Å; M1368-L1380 WeakPolarHBondContact O-CD1 3.3Å; M1368-I1383 HydrophobicContact CE-CB 4.42Å; M1368-I1383 HydrophobicContact CE-CG2 3.64Å; M1368-I1383 HydrophobicContact CG-CG2 4.2Å; M1368-V1384 HydrophobicContact CE-CB 4.39Å; M1368-V1384 HydrophobicContact CE-CG2 3.71Å; M1368-V1384 HydrophobicContact SD-CG2 4.26Å; M1368-V1399 HydrophobicContact CE-CG1 4.12Å; M1368-V1399 HydrophobicContact SD-CG1 4.03Å; M1368-V1399 HydrophobicContact SD-CG2 4.18Å; M1368-I1402 HydrophobicContact CB-CD1 4.32Å; M1368-I1402 HydrophobicContact CB-CG2 4.3Å |
| 1369 | R | 83.3 | Confident | 80.8 | Confident | 95 Ų | 95 | 42 Ų | 42 | 36% | 0.358 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 176.5 | -76.6 | -176.8 | -100.5 | 151.5 | -13 | 112.4 | E1338 L1365 G1366 R1367 L1371 E1372 A1373 I1402 | E1338-R1369 VanDerWaalsContact CD-NH1 3.33Å; E1338-R1369 WeakPolarHBondContact OE1-CB 3.44Å; E1338-R1369 VanDerWaalsContact OE1-CD 3.29Å; E1338-R1369 WeakPolarHBondContact OE1-CD 3.22Å; E1338-R1369 IonicContact OE1-CZ 3.52Å; E1338-R1369 IonicContact OE1-NE 3.97Å; E1338-R1369 IonicContact OE1-NH1 3.1Å; E1338-R1369 PolarHBondContact OE1-NH1 3.23Å; E1338-R1369 IonicContact OE2-NH1 2.84Å; E1338-R1369 PolarHBondContact OE2-NH1 3.47Å; E1338-R1369 VanDerWaalsContact OE2-NH1 3.17Å; L1365-R1369 PolarHBondContact O-N 3.49Å; G1366-R1369 PolarHBondContact O-N 3.23Å; R1367-R1369 VanDerWaalsContact C-N 3.34Å; R1367-R1369 PolarHBondContact O-N 2.96Å; R1369-L1371 VanDerWaalsContact C-N 3.33Å; R1369-L1371 PolarHBondContact O-N 3.24Å; R1369-E1372 PolarHBondContact O-N 3.03Å; R1369-A1373 PolarHBondContact O-N 3.25Å; R1369-I1402 HydrophobicContact CG-CD1 3.91Å |
| 1370 | C | 84.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 175.2 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | W1343 A1346 L1347 G1366 R1367 A1373 L1374 | W1343-C1370 HydrophobicContact CE3-CB 4.31Å; A1346-C1370 VanDerWaalsContact CB-SG 3.56Å; L1347-C1370 HydrophobicContact CB-CB 4.15Å; L1347-C1370 HydrophobicContact CD1-CB 3.88Å; G1366-C1370 PolarHBondContact O-N 3.18Å; G1366-C1370 PolarHBondContact O-SG 3.05Å; R1367-C1370 PolarHBondContact O-N 3.45Å; C1370-A1373 PolarHBondContact O-N 3.27Å; C1370-L1374 WeakPolarHBondContact O-CB 3.38Å; C1370-L1374 WeakPolarHBondContact O-CD1 3.3Å; C1370-L1374 WeakPolarHBondContact O-CG 3.49Å; C1370-L1374 PolarHBondContact O-N 3.39Å |
| 1371 | L | 84.9 | Confident | 81.7 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.9 | -36.3 | 178.7 | -69.3 | 167.6 | 0 | 0 | 0 | 112.8 | L1347 R1367 M1368 R1369 L1374 G1375 E1376 R1379 L1380 I1383 | L1347-L1371 HydrophobicContact CD1-CD1 4.47Å; L1347-L1371 HydrophobicContact CD1-CD2 3.99Å; L1347-L1371 HydrophobicContact CD1-CG 3.83Å; L1347-L1371 HydrophobicContact CD2-CD2 3.89Å; R1367-L1371 WeakPolarHBondContact O-CB 3.47Å; R1367-L1371 VanDerWaalsContact O-CG 3.29Å; R1367-L1371 WeakPolarHBondContact O-CG 3.44Å; R1367-L1371 PolarHBondContact O-N 3.38Å; M1368-L1371 PolarHBondContact O-N 3.13Å; R1369-L1371 VanDerWaalsContact C-N 3.33Å; R1369-L1371 PolarHBondContact O-N 3.24Å; L1371-L1374 PolarHBondContact O-N 2.91Å; L1371-G1375 PolarHBondContact O-N 3.4Å; L1371-E1376 HydrophobicContact CB-CB 4.34Å; L1371-E1376 HydrophobicContact CD2-CB 3.66Å; L1371-E1376 HydrophobicContact CD2-CG 4.23Å; L1371-E1376 PolarHBondContact O-N 3.4Å; L1371-R1379 HydrophobicContact CD1-CB 4.3Å; L1371-R1379 HydrophobicContact CD2-CB 4.21Å; L1371-L1380 HydrophobicContact CB-CB 4.17Å; L1371-L1380 HydrophobicContact CB-CD1 4.16Å; L1371-L1380 HydrophobicContact CD1-CD1 4.48Å; L1371-I1383 HydrophobicContact CD1-CD1 3.37Å |
| 1372 | E | 83 | Confident | 82.2 | Confident | 31 Ų | 31 | 32.8 Ų | 32.8 | 15% | 0.145 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59 | -51.2 | 172.5 | -178.6 | -171.7 | -178.2 | 0 | 0 | 110.6 | M1368 R1369 L1374 G1375 W1377 L1380 R1401 I1402 Q1521 | M1368-E1372 PolarHBondContact O-N 3.37Å; R1369-E1372 PolarHBondContact O-N 3.03Å; E1372-L1374 VanDerWaalsContact C-N 3.28Å; E1372-L1374 PolarHBondContact O-N 3.39Å; E1372-G1375 PolarHBondContact O-N 3.18Å; E1372-W1377 HydrophobicContact CB-CZ3 4.44Å; E1372-W1377 HydrophobicContact CG-CH2 4.25Å; E1372-W1377 HydrophobicContact CG-CZ3 4.03Å; E1372-L1380 HydrophobicContact CB-CD2 4.21Å; E1372-R1401 IonicContact OE1-NH2 2.62Å; E1372-R1401 IonicContact OE2-NH2 3.96Å; E1372-I1402 HydrophobicContact CB-CG2 4.32Å; E1372-Q1521 PolarHBondContact O-NE2 2.98Å |
| 1373 | A | 75.8 | Confident | 82.5 | Confident | 13 Ų | 13 | 29.6 Ų | 29.6 | 11% | 0.107 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.5 | -24.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | W1343 R1369 C1370 | W1343-A1373 HydrophobicContact CD2-CB 3.5Å; W1343-A1373 VanDerWaalsContact CD2-CB 3.5Å; W1343-A1373 HydrophobicContact CE3-CB 3.97Å; W1343-A1373 HydrophobicContact CG-CB 3.88Å; W1343-A1373 HydrophobicContact CH2-CB 4.1Å; W1343-A1373 HydrophobicContact CZ2-CB 3.65Å; W1343-A1373 HydrophobicContact CZ3-CB 4.23Å; R1369-A1373 PolarHBondContact O-N 3.25Å; C1370-A1373 PolarHBondContact O-N 3.27Å |
| 1374 | L | 79.5 | Confident | 82.7 | Confident | 15 Ų | 15 | 29.2 Ų | 29.2 | 8% | 0.079 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -6.4 | 171.5 | -69.6 | 168.9 | 0 | 0 | 0 | 113.2 | W1343 E1344 L1347 C1370 L1371 E1372 E1376 M1555 R1558 | W1343-L1374 HydrophobicContact CB-CD1 4.19Å; W1343-L1374 HydrophobicContact CB-CD2 3.9Å; W1343-L1374 HydrophobicContact CB-CG 3.81Å; E1344-L1374 HydrophobicContact CG-CD2 4Å; L1347-L1374 HydrophobicContact CD2-CD1 4.14Å; C1370-L1374 WeakPolarHBondContact O-CB 3.38Å; C1370-L1374 WeakPolarHBondContact O-CD1 3.3Å; C1370-L1374 WeakPolarHBondContact O-CG 3.49Å; C1370-L1374 PolarHBondContact O-N 3.39Å; L1371-L1374 PolarHBondContact O-N 2.91Å; E1372-L1374 VanDerWaalsContact C-N 3.28Å; E1372-L1374 PolarHBondContact O-N 3.39Å; L1374-E1376 VanDerWaalsContact C-N 3.28Å; L1374-E1376 HydrophobicContact CB-CG 4.43Å; L1374-E1376 PolarHBondContact O-N 2.79Å; L1374-M1555 WeakPolarHBondContact O-CG 3.31Å; L1374-R1558 PolarHBondContact O-NH1 3.44Å; L1374-R1558 VanDerWaalsContact O-NH1 3.15Å |
| 1375 | G | 76.8 | Confident | 82.7 | Confident | 11 Ų | 11 | 34 Ų | 34 | 11% | 0.113 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 27.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1371 E1372 W1377 | L1371-G1375 PolarHBondContact O-N 3.4Å; E1372-G1375 PolarHBondContact O-N 3.18Å; G1375-W1377 VanDerWaalsContact C-N 3.29Å; G1375-W1377 PolarHBondContact O-N 3.46Å; G1375-W1377 VanDerWaalsContact O-N 3.13Å |
| 1376 | E | 82.5 | Confident | 82.6 | Confident | 57 Ų | 57 | 39.5 Ų | 39.5 | 27% | 0.266 | 19% | 0.193 | S | C | . | . | trans | -85 | 65 | 178.1 | -83.6 | -96 | 159.2 | 0 | 0 | 110.8 | L1371 L1374 G1378 R1379 L1380 R1558 | L1371-E1376 HydrophobicContact CB-CB 4.34Å; L1371-E1376 HydrophobicContact CD2-CB 3.66Å; L1371-E1376 HydrophobicContact CD2-CG 4.23Å; L1371-E1376 PolarHBondContact O-N 3.4Å; L1374-E1376 VanDerWaalsContact C-N 3.28Å; L1374-E1376 HydrophobicContact CB-CG 4.43Å; L1374-E1376 PolarHBondContact O-N 2.79Å; E1376-G1378 VanDerWaalsContact C-N 3.29Å; E1376-G1378 PolarHBondContact O-N 2.66Å; E1376-R1379 PolarHBondContact O-N 3.23Å; E1376-R1379 VanDerWaalsContact OE2-CD 3.3Å; E1376-R1379 WeakPolarHBondContact OE2-CD 3.23Å; E1376-L1380 WeakPolarHBondContact O-CB 3.22Å; E1376-L1380 PolarHBondContact O-N 3.48Å; E1376-L1380 VanDerWaalsContact O-N 3.12Å; E1376-R1558 IonicContact OE1-CZ 3.67Å; E1376-R1558 IonicContact OE1-NE 3.41Å; E1376-R1558 IonicContact OE1-NH1 3.79Å; E1376-R1558 IonicContact OE1-NH2 3.48Å; E1376-R1558 PolarHBondContact OE1-NH2 3.41Å | ||
| 1377 | W | 83.2 | Confident | 82.3 | Confident | 39 Ų | 39 | 41.4 Ų | 41.4 | 15% | 0.148 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -34.3 | -172.7 | -50.1 | 124.2 | 0 | 0 | 0 | 113.8 | E1372 G1375 L1380 S1381 A1405 A1406 L1410 | E1372-W1377 HydrophobicContact CB-CZ3 4.44Å; E1372-W1377 HydrophobicContact CG-CH2 4.25Å; E1372-W1377 HydrophobicContact CG-CZ3 4.03Å; G1375-W1377 VanDerWaalsContact C-N 3.29Å; G1375-W1377 PolarHBondContact O-N 3.46Å; G1375-W1377 VanDerWaalsContact O-N 3.13Å; W1377-L1380 HydrophobicContact CE3-CD2 4.01Å; W1377-L1380 HydrophobicContact CZ3-CD2 4.2Å; W1377-L1380 PolarHBondContact O-N 3.37Å; W1377-S1381 WeakPolarHBondContact O-CB 3.37Å; W1377-S1381 PolarHBondContact O-N 3.27Å; W1377-A1405 HydrophobicContact CZ3-CB 4.35Å; W1377-A1406 HydrophobicContact CE3-CB 4.07Å; W1377-L1410 HydrophobicContact CB-CD1 4.34Å; W1377-L1410 HydrophobicContact CB-CD2 3.91Å; W1377-L1410 HydrophobicContact CB-CG 3.73Å |
| 1378 | G | 83.5 | Confident | 81.9 | Confident | 35 Ų | 35 | 40.9 Ų | 40.9 | 36% | 0.361 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.7 | -51.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1376 L1380 S1381 N1382 | E1376-G1378 VanDerWaalsContact C-N 3.29Å; E1376-G1378 PolarHBondContact O-N 2.66Å; G1378-L1380 VanDerWaalsContact C-N 3.32Å; G1378-L1380 PolarHBondContact O-N 2.87Å; G1378-S1381 PolarHBondContact O-N 3.3Å; G1378-N1382 PolarHBondContact O-N 3.21Å |
| 1379 | R | 83.8 | Confident | 81.4 | Confident | 131 Ų | 131 | 46.1 Ų | 46.1 | 49% | 0.494 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 174.9 | -86.2 | -178.4 | 138.7 | -165.5 | -5 | 111.4 | L1371 E1376 N1382 I1383 | L1371-R1379 HydrophobicContact CD1-CB 4.3Å; L1371-R1379 HydrophobicContact CD2-CB 4.21Å; E1376-R1379 PolarHBondContact O-N 3.23Å; E1376-R1379 VanDerWaalsContact OE2-CD 3.3Å; E1376-R1379 WeakPolarHBondContact OE2-CD 3.23Å; R1379-N1382 PolarHBondContact O-N 2.76Å; R1379-I1383 WeakPolarHBondContact O-CG1 3.22Å; R1379-I1383 PolarHBondContact O-N 2.97Å; R1379-I1383 VanDerWaalsContact O-N 3.13Å |
| 1380 | L | 85.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -44.9 | 179.2 | -175.6 | 61.4 | 0 | 0 | 0 | 112.2 | M1368 L1371 E1372 E1376 W1377 G1378 N1382 I1383 V1384 I1402 A1406 | M1368-L1380 HydrophobicContact CB-CD1 3.64Å; M1368-L1380 HydrophobicContact CG-CD1 3.69Å; M1368-L1380 WeakPolarHBondContact O-CD1 3.3Å; L1371-L1380 HydrophobicContact CB-CB 4.17Å; L1371-L1380 HydrophobicContact CB-CD1 4.16Å; L1371-L1380 HydrophobicContact CD1-CD1 4.48Å; E1372-L1380 HydrophobicContact CB-CD2 4.21Å; E1376-L1380 WeakPolarHBondContact O-CB 3.22Å; E1376-L1380 PolarHBondContact O-N 3.48Å; E1376-L1380 VanDerWaalsContact O-N 3.12Å; W1377-L1380 HydrophobicContact CE3-CD2 4.01Å; W1377-L1380 HydrophobicContact CZ3-CD2 4.2Å; W1377-L1380 PolarHBondContact O-N 3.37Å; G1378-L1380 VanDerWaalsContact C-N 3.32Å; G1378-L1380 PolarHBondContact O-N 2.87Å; L1380-N1382 VanDerWaalsContact C-N 3.31Å; L1380-N1382 PolarHBondContact O-N 3.02Å; L1380-I1383 PolarHBondContact O-N 2.8Å; L1380-V1384 WeakPolarHBondContact O-CG2 3.38Å; L1380-V1384 PolarHBondContact O-N 3.5Å; L1380-I1402 HydrophobicContact CD1-CG2 3.91Å; L1380-I1402 HydrophobicContact CD2-CG2 3.7Å; L1380-I1402 HydrophobicContact CG-CG2 4.22Å; L1380-A1406 HydrophobicContact CB-CB 4.35Å; L1380-A1406 HydrophobicContact CD2-CB 3.64Å; L1380-A1406 HydrophobicContact CG-CB 3.91Å |
| 1381 | S | 82.1 | Confident | 79.8 | Confident | 8 Ų | 8 | 46 Ų | 46 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 177.1 | -178.5 | 0 | 0 | 0 | 0 | 112.5 | W1377 G1378 V1384 K1385 | W1377-S1381 WeakPolarHBondContact O-CB 3.37Å; W1377-S1381 PolarHBondContact O-N 3.27Å; G1378-S1381 PolarHBondContact O-N 3.3Å; S1381-V1384 PolarHBondContact O-N 2.79Å; S1381-K1385 WeakPolarHBondContact O-CG 3.21Å; S1381-K1385 PolarHBondContact O-N 3.49Å |
| 1382 | N | 85.6 | Confident | 79.2 | Confident | 99 Ų | 99 | 52 Ų | 52 | 53% | 0.529 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 177.1 | -67 | -15.3 | 0 | 0 | 0 | 111.2 | G1378 R1379 L1380 V1384 K1385 D1386 | G1378-N1382 PolarHBondContact O-N 3.21Å; R1379-N1382 PolarHBondContact O-N 2.76Å; L1380-N1382 VanDerWaalsContact C-N 3.31Å; L1380-N1382 PolarHBondContact O-N 3.02Å; N1382-V1384 VanDerWaalsContact C-N 3.29Å; N1382-V1384 PolarHBondContact O-N 2.84Å; N1382-K1385 PolarHBondContact O-N 3.36Å; N1382-D1386 VanDerWaalsContact O-CG 3.25Å; N1382-D1386 PolarHBondContact O-N 3.02Å |
| 1383 | I | 82.8 | Confident | 78.6 | Confident | 18 Ų | 18 | 55.7 Ų | 55.7 | 9% | 0.092 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 178.2 | -62.2 | 169.6 | 0 | 0 | 0 | 111.3 | T1364 M1368 L1371 R1379 L1380 N1387 | T1364-I1383 HydrophobicContact CG2-CG2 3.84Å; M1368-I1383 HydrophobicContact CE-CB 4.42Å; M1368-I1383 HydrophobicContact CE-CG2 3.64Å; M1368-I1383 HydrophobicContact CG-CG2 4.2Å; L1371-I1383 HydrophobicContact CD1-CD1 3.37Å; R1379-I1383 WeakPolarHBondContact O-CG1 3.22Å; R1379-I1383 PolarHBondContact O-N 2.97Å; R1379-I1383 VanDerWaalsContact O-N 3.13Å; L1380-I1383 PolarHBondContact O-N 2.8Å; I1383-N1387 PolarHBondContact O-N 3.46Å; I1383-N1387 PolarHBondContact O-ND2 2.87Å |
| 1384 | V | 83.1 | Confident | 78.5 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.7 | -48.9 | 175.2 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | M1368 L1380 S1381 N1382 D1386 N1387 W1388 V1399 A1403 Y1419 | M1368-V1384 HydrophobicContact CE-CB 4.39Å; M1368-V1384 HydrophobicContact CE-CG2 3.71Å; M1368-V1384 HydrophobicContact SD-CG2 4.26Å; L1380-V1384 WeakPolarHBondContact O-CG2 3.38Å; L1380-V1384 PolarHBondContact O-N 3.5Å; S1381-V1384 PolarHBondContact O-N 2.79Å; N1382-V1384 VanDerWaalsContact C-N 3.29Å; N1382-V1384 PolarHBondContact O-N 2.84Å; V1384-D1386 VanDerWaalsContact C-N 3.28Å; V1384-D1386 PolarHBondContact O-N 2.98Å; V1384-N1387 PolarHBondContact O-N 3.25Å; V1384-W1388 HydrophobicContact CG1-CE3 4.13Å; V1384-W1388 VanDerWaalsContact O-CB 3.32Å; V1384-W1388 WeakPolarHBondContact O-CB 3.49Å; V1384-W1388 PolarHBondContact O-N 3.2Å; V1384-V1399 HydrophobicContact CG2-CG1 4.39Å; V1384-A1403 HydrophobicContact CB-CB 4.45Å; V1384-A1403 HydrophobicContact CG1-CB 3.64Å; V1384-A1403 HydrophobicContact CG2-CB 4Å; V1384-Y1419 HydrophobicContact CG1-CE1 4.2Å |
| 1385 | K | 82.5 | Confident | 78.2 | Confident | 103 Ų | 103 | 67.3 Ų | 67.3 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.6 | -40.7 | 179.7 | -78.7 | 177.2 | -179.9 | 168.6 | 0 | 112.1 | S1381 N1382 N1387 | S1381-K1385 WeakPolarHBondContact O-CG 3.21Å; S1381-K1385 PolarHBondContact O-N 3.49Å; N1382-K1385 PolarHBondContact O-N 3.36Å; K1385-N1387 VanDerWaalsContact C-N 3.33Å; K1385-N1387 PolarHBondContact O-N 3.3Å |
| 1386 | D | 80 | Confident | 78.2 | Confident | 122 Ų | 122 | 69.4 Ų | 69.4 | 65% | 0.652 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -68.1 | -31.5 | -179.8 | -66.1 | -19.2 | 0 | 0 | 0 | 112.8 | N1382 V1384 | N1382-D1386 VanDerWaalsContact O-CG 3.25Å; N1382-D1386 PolarHBondContact O-N 3.02Å; V1384-D1386 VanDerWaalsContact C-N 3.28Å; V1384-D1386 PolarHBondContact O-N 2.98Å |
| 1387 | N | 77.1 | Confident | 77.9 | Confident | 39 Ų | 39 | 71.8 Ų | 71.8 | 21% | 0.209 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -107 | -6.3 | -173.7 | -66.3 | -60.5 | 0 | 0 | 0 | 115.1 | I1383 V1384 K1385 S1389 S1390 C1391 | I1383-N1387 PolarHBondContact O-N 3.46Å; I1383-N1387 PolarHBondContact O-ND2 2.87Å; V1384-N1387 PolarHBondContact O-N 3.25Å; K1385-N1387 VanDerWaalsContact C-N 3.33Å; K1385-N1387 PolarHBondContact O-N 3.3Å; N1387-S1389 VanDerWaalsContact C-N 3.33Å; N1387-S1389 PolarHBondContact O-N 2.73Å; N1387-S1390 PolarHBondContact O-N 3.43Å; N1387-S1390 PolarHBondContact O-OG 2.73Å; N1387-C1391 PolarHBondContact O-N 3.18Å; N1387-C1391 PolarHBondContact O-SG 3.4Å |
| 1388 | W | 75.6 | Confident | 77.5 | Confident | 39 Ų | 39 | 73.5 Ų | 73.5 | 15% | 0.148 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -36.7 | -173.3 | -170.4 | -111.1 | 0 | 0 | 0 | 113.5 | V1384 K1396 V1399 A1400 Y1419 V1422 | V1384-W1388 HydrophobicContact CG1-CE3 4.13Å; V1384-W1388 VanDerWaalsContact O-CB 3.32Å; V1384-W1388 WeakPolarHBondContact O-CB 3.49Å; V1384-W1388 PolarHBondContact O-N 3.2Å; W1388-K1396 WeakPolarHBondContact O-CE 3.47Å; W1388-V1399 HydrophobicContact CE3-CG1 4.05Å; W1388-V1399 HydrophobicContact CZ3-CB 4.37Å; W1388-V1399 HydrophobicContact CZ3-CG1 3.92Å; W1388-A1400 HydrophobicContact CH2-CB 3.95Å; W1388-A1400 HydrophobicContact CZ3-CB 4.42Å; W1388-Y1419 HydrophobicContact CD2-CD1 4.12Å; W1388-Y1419 AromaticContact CD2-CE1 3.9Å; W1388-Y1419 HydrophobicContact CD2-CE1 3.9Å; W1388-Y1419 AromaticContact CE2-CD1 3.75Å; W1388-Y1419 AromaticContact CE2-CE1 3.88Å; W1388-Y1419 HydrophobicContact CE3-CD1 4.14Å; W1388-Y1419 HydrophobicContact CE3-CE1 4.06Å; W1388-Y1419 HydrophobicContact CG-CE1 4.44Å; W1388-Y1419 AromaticContact CH2-CD1 3.49Å; W1388-Y1419 HydrophobicContact CH2-CD1 3.49Å; W1388-Y1419 VanDerWaalsContact CH2-CD1 3.49Å; W1388-Y1419 HydrophobicContact CH2-CE1 4.23Å; W1388-Y1419 HydrophobicContact CH2-CG 4.22Å; W1388-Y1419 AromaticContact CZ2-CD1 3.46Å; W1388-Y1419 HydrophobicContact CZ2-CD1 3.46Å; W1388-Y1419 VanDerWaalsContact CZ2-CD1 3.46Å; W1388-Y1419 HydrophobicContact CZ2-CE1 4.08Å; W1388-Y1419 HydrophobicContact CZ2-CG 4.48Å; W1388-Y1419 AromaticContact CZ3-CD1 3.84Å; W1388-Y1419 HydrophobicContact CZ3-CD1 3.84Å; W1388-Y1419 HydrophobicContact CZ3-CE1 4.22Å; W1388-V1422 HydrophobicContact CH2-CG2 4.48Å; W1388-V1422 HydrophobicContact CZ2-CG2 3.99Å |
| 1389 | S | 74.7 | Confident | 77.4 | Confident | 111 Ų | 111 | 71.9 Ų | 71.9 | 78% | 0.776 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -25.7 | 178.7 | 43.9 | 0 | 0 | 0 | 0 | 113.8 | N1387 | N1387-S1389 VanDerWaalsContact C-N 3.33Å; N1387-S1389 PolarHBondContact O-N 2.73Å |
| 1390 | S | 71 | Confident | 77.4 | Confident | 80 Ų | 80 | 65.6 Ų | 65.6 | 56% | 0.559 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -13.9 | -177.4 | 52.9 | 0 | 0 | 0 | 0 | 114 | N1387 | N1387-S1390 PolarHBondContact O-N 3.43Å; N1387-S1390 PolarHBondContact O-OG 2.73Å |
| 1391 | C | 64.1 | Low | 77.4 | Confident | 11 Ų | 11 | 69.8 Ų | 69.8 | 7% | 0.074 | 35% | 0.354 | C | S | . | . | trans | -73.2 | 132.9 | -175.1 | -76.5 | 0 | 0 | 0 | 0 | 114.5 | M1361 N1387 K1396 | M1361-C1391 WeakPolarHBondContact CE-SG 3.43Å; N1387-C1391 PolarHBondContact O-N 3.18Å; N1387-C1391 PolarHBondContact O-SG 3.4Å; C1391-K1396 HydrophobicContact CB-CG 3.67Å; C1391-K1396 WeakPolarHBondContact O-CE 3.4Å | ||
| 1392 | E | 70.8 | Confident | 77.5 | Confident | 130 Ų | 130 | 69.6 Ų | 69.6 | 61% | 0.607 | 35% | 0.352 | S | S | * | . | trans | -63.3 | 154.9 | 167 | -73.5 | -170 | 160.1 | 0 | 0 | 112.3 | R1394 Y1395 K1396 | E1392-R1394 PolarHBondContact O-N 2.86Å; E1392-R1394 VanDerWaalsContact O-N 3.1Å; E1392-Y1395 HydrophobicContact CB-CD2 4.26Å; E1392-Y1395 PolarHBondContact O-N 3.39Å; E1392-Y1395 VanDerWaalsContact O-N 3.08Å; E1392-K1396 PolarHBondContact O-N 3.49Å | ||
| 1393 | P | 71.9 | Confident | 77.4 | Confident | 108 Ų | 108 | 65 Ų | 65 | 70% | 0.701 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -55.5 | -33.9 | -176.8 | -23.6 | 32.4 | 0 | 0 | 0 | 114.1 | K1396 Q1397 | P1393-K1396 PolarHBondContact O-N 2.85Å; P1393-Q1397 PolarHBondContact O-N 3.44Å |
| 1394 | R | 71.8 | Confident | 77.5 | Confident | 209 Ų | 209 | 64.1 Ų | 64.1 | 79% | 0.789 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.3 | -45.5 | 178.9 | -166.2 | -178.3 | -177.7 | -175.8 | -0.4 | 111.7 | E1392 | E1392-R1394 PolarHBondContact O-N 2.86Å; E1392-R1394 VanDerWaalsContact O-N 3.1Å |
| 1395 | Y | 73.3 | Confident | 77.5 | Confident | 63 Ų | 63 | 64.2 Ų | 64.2 | 25% | 0.247 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -75.4 | -29.7 | 176.7 | -67.3 | -65.1 | 0 | 0 | 0 | 112.3 | D1362 L1365 E1392 Q1397 T1398 V1399 | D1362-Y1395 WeakPolarHBondContact OD1-CE1 3.29Å; L1365-Y1395 HydrophobicContact CD1-CD1 3.47Å; L1365-Y1395 VanDerWaalsContact CD1-CD1 3.47Å; L1365-Y1395 HydrophobicContact CD1-CE1 4.02Å; L1365-Y1395 HydrophobicContact CD1-CG 4.41Å; E1392-Y1395 HydrophobicContact CB-CD2 4.26Å; E1392-Y1395 PolarHBondContact O-N 3.39Å; E1392-Y1395 VanDerWaalsContact O-N 3.08Å; Y1395-Q1397 PolarHBondContact O-N 2.9Å; Y1395-T1398 PolarHBondContact O-N 2.87Å; Y1395-T1398 PolarHBondContact O-OG1 3.02Å; Y1395-T1398 VanDerWaalsContact O-OG1 3.04Å; Y1395-V1399 WeakPolarHBondContact O-CB 3.39Å; Y1395-V1399 VanDerWaalsContact O-CG2 3.24Å; Y1395-V1399 WeakPolarHBondContact O-CG2 3.12Å; Y1395-V1399 PolarHBondContact O-N 3.49Å |
| 1396 | K | 78.2 | Confident | 77.6 | Confident | 55 Ų | 55 | 59.3 Ų | 59.3 | 24% | 0.239 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58 | -34.8 | 176.1 | -85.7 | -169.9 | 173.9 | -178.5 | 0 | 113.1 | W1388 C1391 E1392 P1393 A1400 V1422 | W1388-K1396 WeakPolarHBondContact O-CE 3.47Å; C1391-K1396 HydrophobicContact CB-CG 3.67Å; C1391-K1396 WeakPolarHBondContact O-CE 3.4Å; E1392-K1396 PolarHBondContact O-N 3.49Å; P1393-K1396 PolarHBondContact O-N 2.85Å; K1396-A1400 WeakPolarHBondContact O-CA 3.06Å; K1396-A1400 WeakPolarHBondContact O-CB 3.22Å; K1396-A1400 PolarHBondContact O-N 3.49Å; K1396-V1422 HydrophobicContact CB-CG1 4.04Å |
| 1397 | Q | 76 | Confident | 77.9 | Confident | 106 Ų | 106 | 53.7 Ų | 53.7 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.3 | -44.9 | 177.8 | -79.2 | -173.8 | -19.9 | 0 | 0 | 113 | P1393 Y1395 A1400 R1401 | P1393-Q1397 PolarHBondContact O-N 3.44Å; Y1395-Q1397 PolarHBondContact O-N 2.9Å; Q1397-A1400 PolarHBondContact O-N 3.29Å; Q1397-R1401 PolarHBondContact O-N 2.85Å |
| 1398 | T | 74 | Confident | 78.3 | Confident | 75 Ų | 75 | 52.3 Ų | 52.3 | 46% | 0.46 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.2 | -42.1 | 177.4 | 32 | 0 | 0 | 0 | 0 | 111.7 | Y1395 A1400 R1401 | Y1395-T1398 PolarHBondContact O-N 2.87Å; Y1395-T1398 PolarHBondContact O-OG1 3.02Å; Y1395-T1398 VanDerWaalsContact O-OG1 3.04Å; T1398-A1400 VanDerWaalsContact C-N 3.32Å; T1398-A1400 PolarHBondContact O-N 3.4Å; T1398-R1401 PolarHBondContact O-N 3.38Å |
| 1399 | V | 82.1 | Confident | 78.5 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -37.1 | 175.6 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | L1365 M1368 V1384 W1388 Y1395 R1401 I1402 A1403 | L1365-V1399 HydrophobicContact CD1-CG2 4.47Å; L1365-V1399 HydrophobicContact CD2-CG2 4.15Å; L1365-V1399 HydrophobicContact CG-CG2 4.24Å; M1368-V1399 HydrophobicContact CE-CG1 4.12Å; M1368-V1399 HydrophobicContact SD-CG1 4.03Å; M1368-V1399 HydrophobicContact SD-CG2 4.18Å; V1384-V1399 HydrophobicContact CG2-CG1 4.39Å; W1388-V1399 HydrophobicContact CE3-CG1 4.05Å; W1388-V1399 HydrophobicContact CZ3-CB 4.37Å; W1388-V1399 HydrophobicContact CZ3-CG1 3.92Å; Y1395-V1399 WeakPolarHBondContact O-CB 3.39Å; Y1395-V1399 VanDerWaalsContact O-CG2 3.24Å; Y1395-V1399 WeakPolarHBondContact O-CG2 3.12Å; Y1395-V1399 PolarHBondContact O-N 3.49Å; V1399-R1401 VanDerWaalsContact C-N 3.3Å; V1399-R1401 PolarHBondContact O-N 2.89Å; V1399-I1402 PolarHBondContact O-N 3.29Å; V1399-A1403 WeakPolarHBondContact O-CB 3.43Å; V1399-A1403 PolarHBondContact O-N 3.34Å |
| 1400 | A | 83.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58 | -39.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W1388 K1396 Q1397 T1398 A1404 M1423 | W1388-A1400 HydrophobicContact CH2-CB 3.95Å; W1388-A1400 HydrophobicContact CZ3-CB 4.42Å; K1396-A1400 WeakPolarHBondContact O-CA 3.06Å; K1396-A1400 WeakPolarHBondContact O-CB 3.22Å; K1396-A1400 PolarHBondContact O-N 3.49Å; Q1397-A1400 PolarHBondContact O-N 3.29Å; T1398-A1400 VanDerWaalsContact C-N 3.32Å; T1398-A1400 PolarHBondContact O-N 3.4Å; A1400-A1404 VanDerWaalsContact O-CB 3.25Å; A1400-A1404 WeakPolarHBondContact O-CB 3.45Å; A1400-A1404 PolarHBondContact O-N 3.07Å; A1400-M1423 HydrophobicContact CB-CG 3.73Å; A1400-M1423 HydrophobicContact CB-SD 4.38Å |
| 1401 | R | 84.8 | Confident | 79.5 | Confident | 87 Ų | 87 | 48.2 Ų | 48.2 | 33% | 0.328 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.9 | -50 | 177.2 | -168.4 | -165 | 78.9 | 156.9 | 5.1 | 111.4 | E1372 Q1397 T1398 V1399 A1404 A1405 D1429 Y1433 | E1372-R1401 IonicContact OE1-NH2 2.62Å; E1372-R1401 IonicContact OE2-NH2 3.96Å; Q1397-R1401 PolarHBondContact O-N 2.85Å; T1398-R1401 PolarHBondContact O-N 3.38Å; V1399-R1401 VanDerWaalsContact C-N 3.3Å; V1399-R1401 PolarHBondContact O-N 2.89Å; R1401-A1404 PolarHBondContact O-N 3.43Å; R1401-A1405 PolarHBondContact O-N 3.31Å; R1401-A1405 VanDerWaalsContact O-N 3.1Å; R1401-D1429 VanDerWaalsContact CD-OD2 3.27Å; R1401-D1429 WeakPolarHBondContact CD-OD2 3.17Å; R1401-Y1433 HydrophobicContact CG-CE2 4.14Å |
| 1402 | I | 83.9 | Confident | 80.6 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.9 | -40.9 | -178.5 | -57.7 | 174.9 | 0 | 0 | 0 | 110.3 | L1365 M1368 R1369 E1372 L1380 V1399 A1405 A1406 | L1365-I1402 HydrophobicContact CD2-CD1 4.08Å; M1368-I1402 HydrophobicContact CB-CD1 4.32Å; M1368-I1402 HydrophobicContact CB-CG2 4.3Å; R1369-I1402 HydrophobicContact CG-CD1 3.91Å; E1372-I1402 HydrophobicContact CB-CG2 4.32Å; L1380-I1402 HydrophobicContact CD1-CG2 3.91Å; L1380-I1402 HydrophobicContact CD2-CG2 3.7Å; L1380-I1402 HydrophobicContact CG-CG2 4.22Å; V1399-I1402 PolarHBondContact O-N 3.29Å; I1402-A1405 PolarHBondContact O-N 3.5Å; I1402-A1406 WeakPolarHBondContact O-CB 3.48Å; I1402-A1406 PolarHBondContact O-N 3.32Å |
| 1403 | A | 83.9 | Confident | 81.3 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1384 V1399 A1406 A1407 Y1419 | V1384-A1403 HydrophobicContact CB-CB 4.45Å; V1384-A1403 HydrophobicContact CG1-CB 3.64Å; V1384-A1403 HydrophobicContact CG2-CB 4Å; V1399-A1403 WeakPolarHBondContact O-CB 3.43Å; V1399-A1403 PolarHBondContact O-N 3.34Å; A1403-A1406 PolarHBondContact O-N 3.35Å; A1403-A1407 VanDerWaalsContact O-CB 3.3Å; A1403-A1407 WeakPolarHBondContact O-CB 3.44Å; A1403-A1407 PolarHBondContact O-N 3.15Å; A1403-Y1419 HydrophobicContact CB-CD1 4.29Å; A1403-Y1419 HydrophobicContact CB-CD2 3.52Å; A1403-Y1419 HydrophobicContact CB-CE1 4.42Å; A1403-Y1419 HydrophobicContact CB-CE2 3.67Å; A1403-Y1419 HydrophobicContact CB-CG 3.86Å |
| 1404 | A | 84.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1400 R1401 A1406 A1407 W1408 M1416 M1423 Y1433 | A1400-A1404 VanDerWaalsContact O-CB 3.25Å; A1400-A1404 WeakPolarHBondContact O-CB 3.45Å; A1400-A1404 PolarHBondContact O-N 3.07Å; R1401-A1404 PolarHBondContact O-N 3.43Å; A1404-A1406 VanDerWaalsContact C-N 3.34Å; A1404-A1406 PolarHBondContact O-N 3.26Å; A1404-A1407 PolarHBondContact O-N 3.39Å; A1404-W1408 WeakPolarHBondContact O-CB 3.41Å; A1404-W1408 PolarHBondContact O-N 3.15Å; A1404-M1416 HydrophobicContact CB-CG 4.28Å; A1404-M1423 HydrophobicContact CB-CE 3.99Å; A1404-Y1433 HydrophobicContact CB-CG 4.48Å |
| 1405 | A | 83.6 | Confident | 82.5 | Confident | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W1377 R1401 I1402 W1408 G1409 | W1377-A1405 HydrophobicContact CZ3-CB 4.35Å; R1401-A1405 PolarHBondContact O-N 3.31Å; R1401-A1405 VanDerWaalsContact O-N 3.1Å; I1402-A1405 PolarHBondContact O-N 3.5Å; A1405-W1408 PolarHBondContact O-N 3.23Å; A1405-G1409 PolarHBondContact O-N 3.35Å |
| 1406 | A | 84.2 | Confident | 83 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.5 | -45.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | W1377 L1380 I1402 A1403 A1404 W1408 G1409 L1410 | W1377-A1406 HydrophobicContact CE3-CB 4.07Å; L1380-A1406 HydrophobicContact CB-CB 4.35Å; L1380-A1406 HydrophobicContact CD2-CB 3.64Å; L1380-A1406 HydrophobicContact CG-CB 3.91Å; I1402-A1406 WeakPolarHBondContact O-CB 3.48Å; I1402-A1406 PolarHBondContact O-N 3.32Å; A1403-A1406 PolarHBondContact O-N 3.35Å; A1404-A1406 VanDerWaalsContact C-N 3.34Å; A1404-A1406 PolarHBondContact O-N 3.26Å; A1406-W1408 VanDerWaalsContact C-N 3.27Å; A1406-W1408 PolarHBondContact O-N 2.9Å; A1406-G1409 PolarHBondContact O-N 2.97Å; A1406-L1410 WeakPolarHBondContact O-CG 3.48Å; A1406-L1410 PolarHBondContact O-N 3.4Å; A1406-L1410 VanDerWaalsContact O-N 3.08Å |
| 1407 | A | 86.3 | Confident | 83.2 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.6 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | A1403 A1404 L1410 G1411 Q1412 M1416 Y1419 | A1403-A1407 VanDerWaalsContact O-CB 3.3Å; A1403-A1407 WeakPolarHBondContact O-CB 3.44Å; A1403-A1407 PolarHBondContact O-N 3.15Å; A1404-A1407 PolarHBondContact O-N 3.39Å; A1407-L1410 PolarHBondContact O-N 3.25Å; A1407-G1411 PolarHBondContact O-N 3.29Å; A1407-Q1412 PolarHBondContact O-N 3.14Å; A1407-M1416 HydrophobicContact CB-CB 4.04Å; A1407-Y1419 HydrophobicContact CB-CD2 4.43Å; A1407-Y1419 HydrophobicContact CB-CE2 4.24Å |
| 1408 | W | 87.1 | Confident | 83.5 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64 | -47.8 | 174.3 | -177.3 | 19.5 | 0 | 0 | 0 | 112.1 | A1404 A1405 A1406 L1410 G1411 W1413 M1416 F1432 Y1433 V1436 Q1525 V1526 L1529 | A1404-W1408 WeakPolarHBondContact O-CB 3.41Å; A1404-W1408 PolarHBondContact O-N 3.15Å; A1405-W1408 PolarHBondContact O-N 3.23Å; A1406-W1408 VanDerWaalsContact C-N 3.27Å; A1406-W1408 PolarHBondContact O-N 2.9Å; W1408-L1410 PolarHBondContact O-N 3.06Å; W1408-G1411 PolarHBondContact O-N 3.39Å; W1408-W1413 AromaticContact CD1-CH2 3.45Å; W1408-W1413 VanDerWaalsContact CD1-CH2 3.45Å; W1408-W1413 AromaticContact CD1-CZ3 3.81Å; W1408-W1413 AromaticContact NE1-CH2 3.73Å; W1408-M1416 HydrophobicContact CB-CE 4.42Å; W1408-M1416 HydrophobicContact CB-SD 4.21Å; W1408-F1432 HydrophobicContact CH2-CE1 4.29Å; W1408-F1432 HydrophobicContact CH2-CZ 4.37Å; W1408-F1432 HydrophobicContact CZ3-CE1 4.05Å; W1408-Y1433 HydrophobicContact CE3-CE1 4.06Å; W1408-Y1433 HydrophobicContact CZ3-CE1 4.35Å; W1408-V1436 HydrophobicContact CH2-CG2 4.47Å; W1408-V1436 HydrophobicContact CZ2-CG1 4.38Å; W1408-Q1525 HydrophobicContact CD2-CB 4.43Å; W1408-Q1525 HydrophobicContact CE3-CB 4.26Å; W1408-Q1525 HydrophobicContact CH2-CB 3.72Å; W1408-Q1525 HydrophobicContact CZ2-CB 3.87Å; W1408-Q1525 WeakPolarHBondContact CZ2-O 3.22Å; W1408-Q1525 HydrophobicContact CZ3-CB 3.91Å; W1408-V1526 HydrophobicContact CH2-CB 4.47Å; W1408-V1526 HydrophobicContact CH2-CG2 3.82Å; W1408-L1529 HydrophobicContact CZ2-CD1 3.9Å; W1408-L1529 HydrophobicContact CZ2-CD2 4.46Å; W1408-L1529 HydrophobicContact CZ2-CG 4.02Å |
| 1409 | G | 79.2 | Confident | 84 | Confident | 34 Ų | 34 | 36.1 Ų | 36.1 | 35% | 0.351 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.3 | -26.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1405 A1406 | A1405-G1409 PolarHBondContact O-N 3.35Å; A1406-G1409 PolarHBondContact O-N 2.97Å |
| 1410 | L | 83.7 | Confident | 83.7 | Confident | 72 Ų | 72 | 37.1 Ų | 37.1 | 38% | 0.377 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -6.2 | 175.2 | -66.9 | 172.4 | 0 | 0 | 0 | 114.2 | W1377 A1406 A1407 W1408 Q1412 | W1377-L1410 HydrophobicContact CB-CD1 4.34Å; W1377-L1410 HydrophobicContact CB-CD2 3.91Å; W1377-L1410 HydrophobicContact CB-CG 3.73Å; A1406-L1410 WeakPolarHBondContact O-CG 3.48Å; A1406-L1410 PolarHBondContact O-N 3.4Å; A1406-L1410 VanDerWaalsContact O-N 3.08Å; A1407-L1410 PolarHBondContact O-N 3.25Å; W1408-L1410 PolarHBondContact O-N 3.06Å; L1410-Q1412 VanDerWaalsContact C-N 3.34Å; L1410-Q1412 HydrophobicContact CB-CG 4.22Å; L1410-Q1412 PolarHBondContact O-N 3.15Å |
| 1411 | G | 83.4 | Confident | 83.4 | Confident | 37 Ų | 37 | 41.7 Ų | 41.7 | 38% | 0.381 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 21.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1407 W1408 W1413 | A1407-G1411 PolarHBondContact O-N 3.29Å; W1408-G1411 PolarHBondContact O-N 3.39Å; G1411-W1413 PolarHBondContact O-N 2.64Å; G1411-W1413 PolarHBondContact O-NE1 3.31Å |
| 1412 | Q | 87.3 | Confident | 83 | Confident | 71 Ų | 71 | 39.9 Ų | 39.9 | 33% | 0.332 | 23% | 0.229 | S | C | . | . | trans | -89.7 | 79.2 | 178.6 | -68.4 | -177.6 | 0.1 | 0 | 0 | 111.4 | A1407 L1410 D1414 M1416 | A1407-Q1412 PolarHBondContact O-N 3.14Å; L1410-Q1412 VanDerWaalsContact C-N 3.34Å; L1410-Q1412 HydrophobicContact CB-CG 4.22Å; L1410-Q1412 PolarHBondContact O-N 3.15Å; Q1412-D1414 PolarHBondContact O-N 3.45Å; Q1412-M1416 PolarHBondContact O-N 3.32Å | ||
| 1413 | W | 85.1 | Confident | 82.5 | Confident | 65 Ų | 65 | 40.6 Ų | 40.6 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.6 | -31.2 | -171.9 | -55.6 | 100.3 | 0 | 0 | 0 | 115.1 | W1408 G1411 M1416 D1417 V1436 Q1440 L1529 | W1408-W1413 AromaticContact CD1-CH2 3.45Å; W1408-W1413 VanDerWaalsContact CD1-CH2 3.45Å; W1408-W1413 AromaticContact CD1-CZ3 3.81Å; W1408-W1413 AromaticContact NE1-CH2 3.73Å; G1411-W1413 PolarHBondContact O-N 2.64Å; G1411-W1413 PolarHBondContact O-NE1 3.31Å; W1413-M1416 HydrophobicContact CE3-SD 4.02Å; W1413-M1416 HydrophobicContact CZ3-SD 4.08Å; W1413-M1416 WeakPolarHBondContact O-CB 3.38Å; W1413-M1416 PolarHBondContact O-N 2.75Å; W1413-D1417 PolarHBondContact O-N 3.32Å; W1413-V1436 HydrophobicContact CZ3-CG1 4.04Å; W1413-Q1440 HydrophobicContact CD2-CG 3.99Å; W1413-Q1440 HydrophobicContact CE3-CB 4.49Å; W1413-Q1440 HydrophobicContact CE3-CG 4.25Å; W1413-Q1440 HydrophobicContact CG-CG 4.44Å; W1413-Q1440 HydrophobicContact CZ2-CG 4.29Å; W1413-L1529 HydrophobicContact CH2-CD2 3.56Å; W1413-L1529 HydrophobicContact CZ2-CD2 4.42Å; W1413-L1529 HydrophobicContact CZ3-CD2 4.28Å |
| 1414 | D | 85 | Confident | 81.9 | Confident | 146 Ų | 146 | 44.8 Ų | 44.8 | 78% | 0.781 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -67.9 | -42.8 | -178.6 | -60.5 | -43.7 | 0 | 0 | 0 | 111.8 | Q1412 M1416 D1417 E1418 | Q1412-D1414 PolarHBondContact O-N 3.45Å; D1414-M1416 VanDerWaalsContact C-N 3.26Å; D1414-M1416 PolarHBondContact O-N 2.91Å; D1414-D1417 PolarHBondContact O-N 2.98Å; D1414-E1418 PolarHBondContact O-N 3.06Å |
| 1415 | S | 83.2 | Confident | 81 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -35.2 | 175.6 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | D1417 E1418 Y1419 | S1415-D1417 PolarHBondContact O-N 3.44Å; S1415-E1418 PolarHBondContact O-N 3.18Å; S1415-Y1419 WeakPolarHBondContact O-CD2 3.42Å; S1415-Y1419 WeakPolarHBondContact O-CE2 3.31Å; S1415-Y1419 PolarHBondContact O-N 2.87Å; S1415-Y1419 VanDerWaalsContact O-N 3.08Å |
| 1416 | M | 84.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 176.5 | -168.3 | 179.7 | -179.8 | 0 | 0 | 111.9 | A1404 A1407 W1408 Q1412 W1413 D1414 E1418 Y1419 M1420 Y1433 V1436 L1437 | A1404-M1416 HydrophobicContact CB-CG 4.28Å; A1407-M1416 HydrophobicContact CB-CB 4.04Å; W1408-M1416 HydrophobicContact CB-CE 4.42Å; W1408-M1416 HydrophobicContact CB-SD 4.21Å; Q1412-M1416 PolarHBondContact O-N 3.32Å; W1413-M1416 HydrophobicContact CE3-SD 4.02Å; W1413-M1416 HydrophobicContact CZ3-SD 4.08Å; W1413-M1416 WeakPolarHBondContact O-CB 3.38Å; W1413-M1416 PolarHBondContact O-N 2.75Å; D1414-M1416 VanDerWaalsContact C-N 3.26Å; D1414-M1416 PolarHBondContact O-N 2.91Å; M1416-E1418 VanDerWaalsContact C-N 3.3Å; M1416-E1418 PolarHBondContact O-N 3.25Å; M1416-Y1419 PolarHBondContact O-N 3.47Å; M1416-M1420 WeakPolarHBondContact O-CB 3.35Å; M1416-M1420 PolarHBondContact O-N 2.71Å; M1416-Y1433 HydrophobicContact CE-CD1 3.35Å; M1416-Y1433 HydrophobicContact CE-CE1 4.21Å; M1416-Y1433 HydrophobicContact CE-CG 3.99Å; M1416-V1436 HydrophobicContact CE-CG1 4.28Å; M1416-L1437 HydrophobicContact CG-CD1 4.06Å; M1416-L1437 HydrophobicContact SD-CD1 4.34Å; M1416-L1437 HydrophobicContact SD-CG 4.23Å |
| 1417 | D | 82 | Confident | 80.1 | Confident | 67 Ų | 67 | 59.3 Ų | 59.3 | 36% | 0.358 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 178.2 | -141.6 | 13.8 | 0 | 0 | 0 | 111.1 | W1413 D1414 S1415 M1420 S1421 L1437 K1441 | W1413-D1417 PolarHBondContact O-N 3.32Å; D1414-D1417 PolarHBondContact O-N 2.98Å; S1415-D1417 PolarHBondContact O-N 3.44Å; D1417-M1420 PolarHBondContact O-N 3.16Å; D1417-S1421 PolarHBondContact O-N 3.48Å; D1417-L1437 HydrophobicContact CB-CD2 4.49Å; D1417-K1441 IonicContact OD1-NZ 3.1Å; D1417-K1441 IonicContact OD2-NZ 3.46Å; D1417-K1441 PolarHBondContact OD2-NZ 3.23Å |
| 1418 | E | 83.2 | Confident | 79.8 | Confident | 119 Ų | 119 | 60.3 Ų | 60.3 | 56% | 0.556 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.4 | -45.5 | 177.2 | -153.9 | 177.7 | -154.8 | 0 | 0 | 111.8 | D1414 S1415 M1416 M1420 S1421 | D1414-E1418 PolarHBondContact O-N 3.06Å; S1415-E1418 PolarHBondContact O-N 3.18Å; M1416-E1418 VanDerWaalsContact C-N 3.3Å; M1416-E1418 PolarHBondContact O-N 3.25Å; E1418-M1420 VanDerWaalsContact C-N 3.31Å; E1418-M1420 PolarHBondContact O-N 2.91Å; E1418-S1421 PolarHBondContact O-N 3.03Å; E1418-S1421 PolarHBondContact O-OG 3.45Å |
| 1419 | Y | 84 | Confident | 79.5 | Confident | 10 Ų | 10 | 62.7 Ų | 62.7 | 4% | 0.039 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 176 | -55.3 | -33.4 | 0 | 0 | 0 | 112.2 | V1384 W1388 A1403 A1407 S1415 M1416 S1421 V1422 | V1384-Y1419 HydrophobicContact CG1-CE1 4.2Å; W1388-Y1419 HydrophobicContact CD2-CD1 4.12Å; W1388-Y1419 AromaticContact CD2-CE1 3.9Å; W1388-Y1419 HydrophobicContact CD2-CE1 3.9Å; W1388-Y1419 AromaticContact CE2-CD1 3.75Å; W1388-Y1419 AromaticContact CE2-CE1 3.88Å; W1388-Y1419 HydrophobicContact CE3-CD1 4.14Å; W1388-Y1419 HydrophobicContact CE3-CE1 4.06Å; W1388-Y1419 HydrophobicContact CG-CE1 4.44Å; W1388-Y1419 AromaticContact CH2-CD1 3.49Å; W1388-Y1419 HydrophobicContact CH2-CD1 3.49Å; W1388-Y1419 VanDerWaalsContact CH2-CD1 3.49Å; W1388-Y1419 HydrophobicContact CH2-CE1 4.23Å; W1388-Y1419 HydrophobicContact CH2-CG 4.22Å; W1388-Y1419 AromaticContact CZ2-CD1 3.46Å; W1388-Y1419 HydrophobicContact CZ2-CD1 3.46Å; W1388-Y1419 VanDerWaalsContact CZ2-CD1 3.46Å; W1388-Y1419 HydrophobicContact CZ2-CE1 4.08Å; W1388-Y1419 HydrophobicContact CZ2-CG 4.48Å; W1388-Y1419 AromaticContact CZ3-CD1 3.84Å; W1388-Y1419 HydrophobicContact CZ3-CD1 3.84Å; W1388-Y1419 HydrophobicContact CZ3-CE1 4.22Å; A1403-Y1419 HydrophobicContact CB-CD1 4.29Å; A1403-Y1419 HydrophobicContact CB-CD2 3.52Å; A1403-Y1419 HydrophobicContact CB-CE1 4.42Å; A1403-Y1419 HydrophobicContact CB-CE2 3.67Å; A1403-Y1419 HydrophobicContact CB-CG 3.86Å; A1407-Y1419 HydrophobicContact CB-CD2 4.43Å; A1407-Y1419 HydrophobicContact CB-CE2 4.24Å; S1415-Y1419 WeakPolarHBondContact O-CD2 3.42Å; S1415-Y1419 WeakPolarHBondContact O-CE2 3.31Å; S1415-Y1419 PolarHBondContact O-N 2.87Å; S1415-Y1419 VanDerWaalsContact O-N 3.08Å; M1416-Y1419 PolarHBondContact O-N 3.47Å; Y1419-S1421 VanDerWaalsContact C-N 3.3Å; Y1419-S1421 PolarHBondContact O-N 3.47Å; Y1419-V1422 PolarHBondContact O-N 2.89Å |
| 1420 | M | 76.7 | Confident | 79.7 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 11% | 0.108 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.4 | -31.4 | 179.8 | -136.3 | -154.3 | 78.3 | 0 | 0 | 113 | M1416 D1417 E1418 V1422 M1423 Q1434 L1437 | M1416-M1420 WeakPolarHBondContact O-CB 3.35Å; M1416-M1420 PolarHBondContact O-N 2.71Å; D1417-M1420 PolarHBondContact O-N 3.16Å; E1418-M1420 VanDerWaalsContact C-N 3.31Å; E1418-M1420 PolarHBondContact O-N 2.91Å; M1420-V1422 PolarHBondContact O-N 3.45Å; M1420-V1422 VanDerWaalsContact O-N 3.09Å; M1420-M1423 HydrophobicContact CB-CE 4.15Å; M1420-M1423 HydrophobicContact CG-CE 3.62Å; M1420-M1423 PolarHBondContact O-N 2.9Å; M1420-M1423 VanDerWaalsContact O-N 3.08Å; M1420-Q1434 HydrophobicContact CE-CB 3.73Å; M1420-Q1434 HydrophobicContact CE-CG 3.61Å; M1420-Q1434 WeakPolarHBondContact SD-CA 3.42Å; M1420-Q1434 HydrophobicContact SD-CB 3.64Å; M1420-Q1434 HydrophobicContact SD-CG 3.99Å; M1420-L1437 HydrophobicContact CB-CD1 4.42Å; M1420-L1437 HydrophobicContact CG-CD1 4.38Å; M1420-L1437 HydrophobicContact SD-CD1 3.7Å |
| 1421 | S | 76.5 | Confident | 79.7 | Confident | 95 Ų | 95 | 58.1 Ų | 58.1 | 66% | 0.664 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -22 | 177.8 | 75.1 | 0 | 0 | 0 | 0 | 113.7 | D1417 E1418 Y1419 | D1417-S1421 PolarHBondContact O-N 3.48Å; E1418-S1421 PolarHBondContact O-N 3.03Å; E1418-S1421 PolarHBondContact O-OG 3.45Å; Y1419-S1421 VanDerWaalsContact C-N 3.3Å; Y1419-S1421 PolarHBondContact O-N 3.47Å |
| 1422 | V | 76.7 | Confident | 80 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 30% | 0.303 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -17 | -178.7 | -166.6 | 0 | 0 | 0 | 0 | 112.3 | W1388 K1396 Y1419 M1420 | W1388-V1422 HydrophobicContact CH2-CG2 4.48Å; W1388-V1422 HydrophobicContact CZ2-CG2 3.99Å; K1396-V1422 HydrophobicContact CB-CG1 4.04Å; Y1419-V1422 PolarHBondContact O-N 2.89Å; M1420-V1422 PolarHBondContact O-N 3.45Å; M1420-V1422 VanDerWaalsContact O-N 3.09Å |
| 1423 | M | 72.3 | Confident | 80 | Confident | 20 Ų | 20 | 54.4 Ų | 54.4 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -76.7 | 148.3 | 179.6 | -71.9 | -167.1 | -82.2 | 0 | 0 | 112.2 | A1400 A1404 M1420 R1425 Y1433 | A1400-M1423 HydrophobicContact CB-CG 3.73Å; A1400-M1423 HydrophobicContact CB-SD 4.38Å; A1404-M1423 HydrophobicContact CB-CE 3.99Å; M1420-M1423 HydrophobicContact CB-CE 4.15Å; M1420-M1423 HydrophobicContact CG-CE 3.62Å; M1420-M1423 PolarHBondContact O-N 2.9Å; M1420-M1423 VanDerWaalsContact O-N 3.08Å; M1423-R1425 PolarHBondContact O-N 3.34Å; M1423-Y1433 HydrophobicContact CE-CD2 4.02Å; M1423-Y1433 HydrophobicContact CE-CG 4.46Å; M1423-Y1433 HydrophobicContact SD-CD2 4.35Å |
| 1424 | N | 70.6 | Confident | 80 | Confident | 90 Ų | 90 | 53.9 Ų | 53.9 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | trans | -75.4 | 124 | 178.8 | -167.3 | 5.4 | 0 | 0 | 0 | 110.4 | S1426 S1427 | N1424-S1426 PolarHBondContact ND2-OG 2.99Å; N1424-S1426 VanDerWaalsContact ND2-OG 3.09Å; N1424-S1426 PolarHBondContact O-N 2.76Å; N1424-S1426 VanDerWaalsContact O-N 3.16Å; N1424-S1426 PolarHBondContact OD1-OG 3.33Å; N1424-S1427 PolarHBondContact O-N 2.71Å; N1424-S1427 VanDerWaalsContact O-N 3.17Å | ||
| 1425 | R | 67.1 | Low | 80.2 | Confident | 190 Ų | 190 | 47 Ų | 47 | 72% | 0.717 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -14.9 | -178.1 | -66.9 | -173.5 | -179.6 | -172.6 | -0.6 | 114 | M1423 C1431 | M1423-R1425 PolarHBondContact O-N 3.34Å; R1425-C1431 PolarHBondContact O-SG 2.94Å; R1425-C1431 VanDerWaalsContact O-SG 3.36Å |
| 1426 | S | 70.5 | Confident | 80.5 | Confident | 73 Ų | 73 | 45.7 Ų | 45.7 | 51% | 0.51 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 6 | 177.4 | 67.6 | 0 | 0 | 0 | 0 | 113.8 | N1424 L1457 | N1424-S1426 PolarHBondContact ND2-OG 2.99Å; N1424-S1426 VanDerWaalsContact ND2-OG 3.09Å; N1424-S1426 PolarHBondContact O-N 2.76Å; N1424-S1426 VanDerWaalsContact O-N 3.16Å; N1424-S1426 PolarHBondContact OD1-OG 3.33Å; S1426-L1457 WeakPolarHBondContact O-CD1 3.31Å |
| 1427 | S | 77 | Confident | 80.5 | Confident | 45 Ų | 45 | 46.1 Ų | 46.1 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -96.2 | 151.9 | 174.9 | 106.4 | 0 | 0 | 0 | 0 | 111.4 | N1424 D1429 G1430 C1431 | N1424-S1427 PolarHBondContact O-N 2.71Å; N1424-S1427 VanDerWaalsContact O-N 3.17Å; S1427-D1429 VanDerWaalsContact C-N 3.33Å; S1427-D1429 PolarHBondContact O-N 2.73Å; S1427-D1429 PolarHBondContact OG-N 2.82Å; S1427-G1430 PolarHBondContact O-N 2.92Å; S1427-G1430 PolarHBondContact OG-N 3.15Å; S1427-G1430 VanDerWaalsContact OG-N 3.13Å; S1427-C1431 PolarHBondContact O-N 3.47Å; S1427-C1431 VanDerWaalsContact O-N 3.13Å |
| 1428 | V | 80.9 | Confident | 80.7 | Confident | 23 Ų | 23 | 43.6 Ų | 43.6 | 14% | 0.139 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.2 | -47.6 | 176.7 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | G1430 C1431 F1432 L1457 I1458 T1479 | V1428-G1430 VanDerWaalsContact C-N 3.34Å; V1428-G1430 PolarHBondContact O-N 3.03Å; V1428-C1431 PolarHBondContact O-N 2.83Å; V1428-F1432 VanDerWaalsContact O-CB 3.3Å; V1428-F1432 WeakPolarHBondContact O-CB 3.31Å; V1428-F1432 PolarHBondContact O-N 3.17Å; V1428-L1457 HydrophobicContact CG2-CB 3.83Å; V1428-I1458 HydrophobicContact CB-CG1 4.44Å; V1428-I1458 HydrophobicContact CG1-CD1 3.7Å; V1428-I1458 HydrophobicContact CG1-CG1 3.68Å; V1428-I1458 HydrophobicContact CG2-CG1 3.82Å; V1428-T1479 HydrophobicContact CG1-CG2 4.25Å |
| 1429 | D | 81.3 | Confident | 80.9 | Confident | 61 Ų | 61 | 37.9 Ų | 37.9 | 33% | 0.326 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 178.4 | -69.3 | -26.6 | 0 | 0 | 0 | 112 | R1401 S1427 F1432 Y1433 | R1401-D1429 VanDerWaalsContact CD-OD2 3.27Å; R1401-D1429 WeakPolarHBondContact CD-OD2 3.17Å; S1427-D1429 VanDerWaalsContact C-N 3.33Å; S1427-D1429 PolarHBondContact O-N 2.73Å; S1427-D1429 PolarHBondContact OG-N 2.82Å; D1429-F1432 PolarHBondContact O-N 3.37Å; D1429-Y1433 HydrophobicContact CB-CD2 4.42Å; D1429-Y1433 HydrophobicContact CB-CE2 4.31Å; D1429-Y1433 WeakPolarHBondContact O-CD2 3.39Å; D1429-Y1433 PolarHBondContact O-N 3.43Å |
| 1430 | G | 82.7 | Confident | 80.9 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -49.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | S1427 V1428 Q1434 | S1427-G1430 PolarHBondContact O-N 2.92Å; S1427-G1430 PolarHBondContact OG-N 3.15Å; S1427-G1430 VanDerWaalsContact OG-N 3.13Å; V1428-G1430 VanDerWaalsContact C-N 3.34Å; V1428-G1430 PolarHBondContact O-N 3.03Å; G1430-Q1434 VanDerWaalsContact O-CB 3.28Å; G1430-Q1434 WeakPolarHBondContact O-CB 3.43Å; G1430-Q1434 PolarHBondContact O-N 3.1Å; G1430-Q1434 VanDerWaalsContact O-N 3.14Å |
| 1431 | C | 84.3 | Confident | 81.3 | Confident | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.054 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.7 | -39.4 | 175.7 | -70.8 | 0 | 0 | 0 | 0 | 112.3 | R1425 S1427 V1428 Q1434 A1435 A1454 | R1425-C1431 PolarHBondContact O-SG 2.94Å; R1425-C1431 VanDerWaalsContact O-SG 3.36Å; S1427-C1431 PolarHBondContact O-N 3.47Å; S1427-C1431 VanDerWaalsContact O-N 3.13Å; V1428-C1431 PolarHBondContact O-N 2.83Å; C1431-Q1434 PolarHBondContact O-N 3.44Å; C1431-A1435 PolarHBondContact O-N 2.89Å; C1431-A1454 HydrophobicContact CB-CB 3.96Å |
| 1432 | F | 89 | Confident | 81.7 | Confident | 9 Ų | 9 | 50.7 Ų | 50.7 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.7 | -53.3 | 179.2 | 178.4 | -90.3 | 0 | 0 | 0 | 112.1 | W1408 V1428 D1429 Q1434 A1435 V1436 M1482 L1483 L1486 V1526 | W1408-F1432 HydrophobicContact CH2-CE1 4.29Å; W1408-F1432 HydrophobicContact CH2-CZ 4.37Å; W1408-F1432 HydrophobicContact CZ3-CE1 4.05Å; V1428-F1432 VanDerWaalsContact O-CB 3.3Å; V1428-F1432 WeakPolarHBondContact O-CB 3.31Å; V1428-F1432 PolarHBondContact O-N 3.17Å; D1429-F1432 PolarHBondContact O-N 3.37Å; F1432-Q1434 VanDerWaalsContact C-N 3.28Å; F1432-Q1434 PolarHBondContact O-N 2.95Å; F1432-A1435 WeakPolarHBondContact O-CB 3.3Å; F1432-A1435 PolarHBondContact O-N 3.41Å; F1432-V1436 HydrophobicContact CD1-CG2 4.39Å; F1432-V1436 HydrophobicContact CE1-CG2 3.97Å; F1432-V1436 HydrophobicContact CZ-CG2 4.28Å; F1432-V1436 WeakPolarHBondContact O-CG2 3.21Å; F1432-V1436 PolarHBondContact O-N 3.48Å; F1432-V1436 VanDerWaalsContact O-N 3.08Å; F1432-M1482 HydrophobicContact CE1-CE 4.08Å; F1432-M1482 HydrophobicContact CE2-CB 3.88Å; F1432-M1482 HydrophobicContact CE2-CE 3.81Å; F1432-M1482 HydrophobicContact CZ-CB 4.42Å; F1432-M1482 HydrophobicContact CZ-CE 3.36Å; F1432-L1483 HydrophobicContact CD2-CD2 3.96Å; F1432-L1486 HydrophobicContact CD2-CD1 3.66Å; F1432-L1486 HydrophobicContact CE2-CD1 3.2Å; F1432-L1486 HydrophobicContact CE2-CG 4.47Å; F1432-L1486 HydrophobicContact CZ-CD1 3.81Å; F1432-V1526 HydrophobicContact CZ-CG2 3.98Å |
| 1433 | Y | 88.3 | Confident | 82.2 | Confident | 20 Ų | 20 | 51.4 Ų | 51.4 | 8% | 0.078 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67 | -30.6 | 179.3 | -71.3 | -60.6 | 0 | 0 | 0 | 112.5 | R1401 A1404 W1408 M1416 M1423 D1429 V1436 L1437 | R1401-Y1433 HydrophobicContact CG-CE2 4.14Å; A1404-Y1433 HydrophobicContact CB-CG 4.48Å; W1408-Y1433 HydrophobicContact CE3-CE1 4.06Å; W1408-Y1433 HydrophobicContact CZ3-CE1 4.35Å; M1416-Y1433 HydrophobicContact CE-CD1 3.35Å; M1416-Y1433 HydrophobicContact CE-CE1 4.21Å; M1416-Y1433 HydrophobicContact CE-CG 3.99Å; M1423-Y1433 HydrophobicContact CE-CD2 4.02Å; M1423-Y1433 HydrophobicContact CE-CG 4.46Å; M1423-Y1433 HydrophobicContact SD-CD2 4.35Å; D1429-Y1433 HydrophobicContact CB-CD2 4.42Å; D1429-Y1433 HydrophobicContact CB-CE2 4.31Å; D1429-Y1433 WeakPolarHBondContact O-CD2 3.39Å; D1429-Y1433 PolarHBondContact O-N 3.43Å; Y1433-V1436 WeakPolarHBondContact O-CB 3.43Å; Y1433-V1436 PolarHBondContact O-N 3.11Å; Y1433-L1437 PolarHBondContact O-N 3.03Å |
| 1434 | Q | 85.2 | Confident | 82.8 | Confident | 55 Ų | 55 | 52.5 Ų | 52.5 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 174.1 | -164.4 | 165.3 | 5.1 | 0 | 0 | 112.1 | M1420 G1430 C1431 F1432 L1437 A1438 | M1420-Q1434 HydrophobicContact CE-CB 3.73Å; M1420-Q1434 HydrophobicContact CE-CG 3.61Å; M1420-Q1434 WeakPolarHBondContact SD-CA 3.42Å; M1420-Q1434 HydrophobicContact SD-CB 3.64Å; M1420-Q1434 HydrophobicContact SD-CG 3.99Å; G1430-Q1434 VanDerWaalsContact O-CB 3.28Å; G1430-Q1434 WeakPolarHBondContact O-CB 3.43Å; G1430-Q1434 PolarHBondContact O-N 3.1Å; G1430-Q1434 VanDerWaalsContact O-N 3.14Å; C1431-Q1434 PolarHBondContact O-N 3.44Å; F1432-Q1434 VanDerWaalsContact C-N 3.28Å; F1432-Q1434 PolarHBondContact O-N 2.95Å; Q1434-L1437 PolarHBondContact O-N 2.97Å; Q1434-A1438 WeakPolarHBondContact O-CB 3.45Å; Q1434-A1438 PolarHBondContact O-N 3.37Å |
| 1435 | A | 87.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C1431 F1432 A1438 I1439 C1450 I1451 | C1431-A1435 PolarHBondContact O-N 2.89Å; F1432-A1435 WeakPolarHBondContact O-CB 3.3Å; F1432-A1435 PolarHBondContact O-N 3.41Å; A1435-A1438 PolarHBondContact O-N 2.76Å; A1435-I1439 VanDerWaalsContact O-CG1 3.25Å; A1435-I1439 WeakPolarHBondContact O-CG1 3.43Å; A1435-I1439 PolarHBondContact O-N 2.76Å; A1435-C1450 HydrophobicContact CB-CB 3.95Å; A1435-I1451 HydrophobicContact CB-CD1 4.5Å; A1435-I1451 HydrophobicContact CB-CG1 3.81Å |
| 1436 | V | 89.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.8 | -49 | 176.6 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | W1408 W1413 M1416 F1432 Y1433 A1438 I1439 Q1440 L1486 L1529 | W1408-V1436 HydrophobicContact CH2-CG2 4.47Å; W1408-V1436 HydrophobicContact CZ2-CG1 4.38Å; W1413-V1436 HydrophobicContact CZ3-CG1 4.04Å; M1416-V1436 HydrophobicContact CE-CG1 4.28Å; F1432-V1436 HydrophobicContact CD1-CG2 4.39Å; F1432-V1436 HydrophobicContact CE1-CG2 3.97Å; F1432-V1436 HydrophobicContact CZ-CG2 4.28Å; F1432-V1436 WeakPolarHBondContact O-CG2 3.21Å; F1432-V1436 PolarHBondContact O-N 3.48Å; F1432-V1436 VanDerWaalsContact O-N 3.08Å; Y1433-V1436 WeakPolarHBondContact O-CB 3.43Å; Y1433-V1436 PolarHBondContact O-N 3.11Å; V1436-A1438 PolarHBondContact O-N 3.28Å; V1436-I1439 PolarHBondContact O-N 2.74Å; V1436-Q1440 PolarHBondContact O-N 2.91Å; V1436-Q1440 VanDerWaalsContact O-N 3.11Å; V1436-L1486 HydrophobicContact CG2-CD1 4.47Å; V1436-L1486 HydrophobicContact CG2-CD2 3.92Å; V1436-L1529 HydrophobicContact CG1-CD1 4.04Å; V1436-L1529 HydrophobicContact CG1-CD2 3.86Å; V1436-L1529 HydrophobicContact CG2-CD1 4.33Å |
| 1437 | L | 85.7 | Confident | 85 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 177.1 | -95.4 | 156.1 | 0 | 0 | 0 | 112.1 | M1416 D1417 M1420 Y1433 Q1434 I1439 Q1440 K1441 | M1416-L1437 HydrophobicContact CG-CD1 4.06Å; M1416-L1437 HydrophobicContact SD-CD1 4.34Å; M1416-L1437 HydrophobicContact SD-CG 4.23Å; D1417-L1437 HydrophobicContact CB-CD2 4.49Å; M1420-L1437 HydrophobicContact CB-CD1 4.42Å; M1420-L1437 HydrophobicContact CG-CD1 4.38Å; M1420-L1437 HydrophobicContact SD-CD1 3.7Å; Y1433-L1437 PolarHBondContact O-N 3.03Å; Q1434-L1437 PolarHBondContact O-N 2.97Å; L1437-I1439 PolarHBondContact O-N 2.84Å; L1437-Q1440 PolarHBondContact O-N 3.25Å; L1437-K1441 WeakPolarHBondContact O-CG 3.29Å; L1437-K1441 PolarHBondContact O-N 3.36Å |
| 1438 | A | 86.4 | Confident | 85.5 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 11% | 0.107 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -39.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1434 A1435 V1436 Q1440 K1441 R1442 N1443 A1447 | Q1434-A1438 WeakPolarHBondContact O-CB 3.45Å; Q1434-A1438 PolarHBondContact O-N 3.37Å; A1435-A1438 PolarHBondContact O-N 2.76Å; V1436-A1438 PolarHBondContact O-N 3.28Å; A1438-Q1440 VanDerWaalsContact C-N 3.28Å; A1438-Q1440 PolarHBondContact O-N 3.45Å; A1438-K1441 CarbonylContact O-C 3.56Å; A1438-K1441 PolarHBondContact O-N 2.89Å; A1438-R1442 PolarHBondContact O-N 2.79Å; A1438-R1442 VanDerWaalsContact O-N 3.12Å; A1438-N1443 PolarHBondContact O-N 3.01Å; A1438-A1447 HydrophobicContact CB-CB 3.79Å |
| 1439 | I | 85.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.5 | -34.3 | 174.6 | -70 | 166.9 | 0 | 0 | 0 | 111.5 | A1435 V1436 L1437 R1442 A1447 L1486 I1490 K1493 | A1435-I1439 VanDerWaalsContact O-CG1 3.25Å; A1435-I1439 WeakPolarHBondContact O-CG1 3.43Å; A1435-I1439 PolarHBondContact O-N 2.76Å; V1436-I1439 PolarHBondContact O-N 2.74Å; L1437-I1439 PolarHBondContact O-N 2.84Å; I1439-R1442 PolarHBondContact O-N 3.11Å; I1439-A1447 HydrophobicContact CD1-CB 4.41Å; I1439-A1447 HydrophobicContact CG1-CB 3.71Å; I1439-L1486 HydrophobicContact CD1-CB 4.38Å; I1439-L1486 HydrophobicContact CD1-CD2 3.25Å; I1439-L1486 HydrophobicContact CD1-CG 4.43Å; I1439-I1490 HydrophobicContact CD1-CD1 4.1Å; I1439-I1490 HydrophobicContact CD1-CG1 3.78Å; I1439-I1490 HydrophobicContact CG1-CD1 4.13Å; I1439-I1490 HydrophobicContact CG1-CG1 3.7Å; I1439-K1493 HydrophobicContact CG2-CD 4.06Å; I1439-K1493 PolarHBondContact O-NZ 2.93Å |
| 1440 | Q | 85.2 | Confident | 86.1 | Confident | 73 Ų | 73 | 44.8 Ų | 44.8 | 34% | 0.341 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -74.1 | -40.2 | 176.2 | -168.7 | 64.5 | -19.7 | 0 | 0 | 112.4 | W1413 V1436 L1437 A1438 R1442 | W1413-Q1440 HydrophobicContact CD2-CG 3.99Å; W1413-Q1440 HydrophobicContact CE3-CB 4.49Å; W1413-Q1440 HydrophobicContact CE3-CG 4.25Å; W1413-Q1440 HydrophobicContact CG-CG 4.44Å; W1413-Q1440 HydrophobicContact CZ2-CG 4.29Å; V1436-Q1440 PolarHBondContact O-N 2.91Å; V1436-Q1440 VanDerWaalsContact O-N 3.11Å; L1437-Q1440 PolarHBondContact O-N 3.25Å; A1438-Q1440 VanDerWaalsContact C-N 3.28Å; A1438-Q1440 PolarHBondContact O-N 3.45Å; Q1440-R1442 PolarHBondContact O-N 2.9Å; Q1440-R1442 VanDerWaalsContact O-N 3.17Å |
| 1441 | K | 85 | Confident | 86.4 | Confident | 128 Ų | 128 | 44.6 Ų | 44.6 | 56% | 0.557 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 2 | 172.8 | -68.1 | 176.7 | -179.8 | 173.2 | 0 | 113.8 | D1417 L1437 A1438 N1443 | D1417-K1441 IonicContact OD1-NZ 3.1Å; D1417-K1441 IonicContact OD2-NZ 3.46Å; D1417-K1441 PolarHBondContact OD2-NZ 3.23Å; L1437-K1441 WeakPolarHBondContact O-CG 3.29Å; L1437-K1441 PolarHBondContact O-N 3.36Å; A1438-K1441 CarbonylContact O-C 3.56Å; A1438-K1441 PolarHBondContact O-N 2.89Å; K1441-N1443 PolarHBondContact O-N 3.22Å |
| 1442 | R | 83.9 | Confident | 86.5 | Confident | 194 Ų | 194 | 45.8 Ų | 45.8 | 73% | 0.732 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 24.2 | -176.3 | -60.8 | -174.5 | 175.1 | -171.1 | -1.3 | 114.6 | A1438 I1439 Q1440 F1444 | A1438-R1442 PolarHBondContact O-N 2.79Å; A1438-R1442 VanDerWaalsContact O-N 3.12Å; I1439-R1442 PolarHBondContact O-N 3.11Å; Q1440-R1442 PolarHBondContact O-N 2.9Å; Q1440-R1442 VanDerWaalsContact O-N 3.17Å; R1442-F1444 HydrophobicContact CB-CE2 4.36Å; R1442-F1444 HydrophobicContact CB-CZ 4.09Å; R1442-F1444 HydrophobicContact CG-CZ 4.35Å; R1442-F1444 PolarHBondContact O-N 2.98Å |
| 1443 | N | 88 | Confident | 86.3 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 35% | 0.353 | 24% | 0.242 | S | C | . | . | trans | -95.7 | 81.4 | 175.2 | -167.8 | 0.4 | 0 | 0 | 0 | 110.2 | A1438 K1441 S1445 D1446 A1447 | A1438-N1443 PolarHBondContact O-N 3.01Å; K1441-N1443 PolarHBondContact O-N 3.22Å; N1443-S1445 PolarHBondContact O-N 2.86Å; N1443-S1445 PolarHBondContact OD1-OG 3.23Å; N1443-D1446 PolarHBondContact ND2-OD2 2.72Å; N1443-A1447 PolarHBondContact O-N 3.47Å | ||
| 1444 | F | 86 | Confident | 86.3 | Confident | 42 Ų | 42 | 47.2 Ų | 47.2 | 18% | 0.184 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.6 | -25.6 | -169 | -53.2 | -62.5 | 0 | 0 | 0 | 114.3 | R1442 Q1448 I1490 K1493 R1494 | R1442-F1444 HydrophobicContact CB-CE2 4.36Å; R1442-F1444 HydrophobicContact CB-CZ 4.09Å; R1442-F1444 HydrophobicContact CG-CZ 4.35Å; R1442-F1444 PolarHBondContact O-N 2.98Å; F1444-Q1448 PolarHBondContact O-N 2.7Å; F1444-Q1448 VanDerWaalsContact O-N 3.13Å; F1444-I1490 HydrophobicContact CB-CG2 4Å; F1444-I1490 HydrophobicContact CD1-CB 4.44Å; F1444-I1490 HydrophobicContact CD1-CG1 4.29Å; F1444-I1490 HydrophobicContact CD1-CG2 3.76Å; F1444-I1490 HydrophobicContact CG-CG2 4.05Å; F1444-K1493 HydrophobicContact CE1-CB 4.2Å; F1444-K1493 HydrophobicContact CZ-CB 4.3Å; F1444-R1494 HydrophobicContact CD2-CG 4.38Å; F1444-R1494 HydrophobicContact CE2-CG 4.27Å |
| 1445 | S | 84.6 | Confident | 86.4 | Confident | 73 Ų | 73 | 44.6 Ų | 44.6 | 51% | 0.51 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.3 | -45.8 | 178.8 | 48.5 | 0 | 0 | 0 | 0 | 111.4 | N1443 A1447 Q1448 V1449 | N1443-S1445 PolarHBondContact O-N 2.86Å; N1443-S1445 PolarHBondContact OD1-OG 3.23Å; S1445-A1447 VanDerWaalsContact C-N 3.3Å; S1445-A1447 PolarHBondContact O-N 3.39Å; S1445-Q1448 PolarHBondContact O-N 2.97Å; S1445-V1449 WeakPolarHBondContact O-CG2 3.09Å; S1445-V1449 PolarHBondContact O-N 2.62Å; S1445-V1449 VanDerWaalsContact O-N 3.16Å |
| 1446 | D | 83.2 | Confident | 86.2 | Confident | 86 Ų | 86 | 46.8 Ų | 46.8 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.9 | -36.6 | 179.3 | -67.3 | -3.4 | 0 | 0 | 0 | 110.3 | N1443 Q1448 V1449 C1450 | N1443-D1446 PolarHBondContact ND2-OD2 2.72Å; D1446-Q1448 PolarHBondContact O-N 3.37Å; D1446-V1449 PolarHBondContact O-N 3.37Å; D1446-C1450 PolarHBondContact O-N 3.27Å; D1446-C1450 PolarHBondContact O-SG 2.93Å; D1446-C1450 VanDerWaalsContact O-SG 3.35Å |
| 1447 | A | 86.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58 | -46 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1438 I1439 N1443 S1445 C1450 I1451 I1490 | A1438-A1447 HydrophobicContact CB-CB 3.79Å; I1439-A1447 HydrophobicContact CD1-CB 4.41Å; I1439-A1447 HydrophobicContact CG1-CB 3.71Å; N1443-A1447 PolarHBondContact O-N 3.47Å; S1445-A1447 VanDerWaalsContact C-N 3.3Å; S1445-A1447 PolarHBondContact O-N 3.39Å; A1447-C1450 PolarHBondContact O-N 2.88Å; A1447-I1451 VanDerWaalsContact O-CG1 3.26Å; A1447-I1451 WeakPolarHBondContact O-CG1 3.5Å; A1447-I1451 PolarHBondContact O-N 3.45Å; A1447-I1490 HydrophobicContact CB-CD1 3.98Å |
| 1448 | Q | 87.5 | Confident | 85.8 | Confident | 52 Ų | 52 | 49.3 Ų | 49.3 | 24% | 0.243 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 180 | -171.3 | 63.6 | 42.2 | 0 | 0 | 111.8 | F1444 S1445 D1446 C1450 I1451 D1452 E1487 | F1444-Q1448 PolarHBondContact O-N 2.7Å; F1444-Q1448 VanDerWaalsContact O-N 3.13Å; S1445-Q1448 PolarHBondContact O-N 2.97Å; D1446-Q1448 PolarHBondContact O-N 3.37Å; Q1448-C1450 VanDerWaalsContact C-N 3.31Å; Q1448-C1450 PolarHBondContact O-N 3.32Å; Q1448-I1451 PolarHBondContact O-N 2.9Å; Q1448-I1451 VanDerWaalsContact O-N 3.17Å; Q1448-D1452 PolarHBondContact NE2-OD1 3.49Å; Q1448-D1452 PolarHBondContact NE2-OD2 2.98Å; Q1448-D1452 PolarHBondContact O-N 3.37Å; Q1448-E1487 PolarHBondContact NE2-OE1 3.47Å |
| 1449 | V | 87.7 | Confident | 85.5 | Confident | 94 Ų | 94 | 49.1 Ų | 49.1 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.2 | -42.1 | 177 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | S1445 D1446 D1452 T1453 | S1445-V1449 WeakPolarHBondContact O-CG2 3.09Å; S1445-V1449 PolarHBondContact O-N 2.62Å; S1445-V1449 VanDerWaalsContact O-N 3.16Å; D1446-V1449 PolarHBondContact O-N 3.37Å; V1449-D1452 PolarHBondContact O-N 3.08Å; V1449-T1453 PolarHBondContact O-N 3.12Å; V1449-T1453 PolarHBondContact O-OG1 2.98Å |
| 1450 | C | 86.7 | Confident | 85 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 10% | 0.101 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 175.8 | -71.3 | 0 | 0 | 0 | 0 | 112.8 | A1435 D1446 A1447 Q1448 T1453 A1454 | A1435-C1450 HydrophobicContact CB-CB 3.95Å; D1446-C1450 PolarHBondContact O-N 3.27Å; D1446-C1450 PolarHBondContact O-SG 2.93Å; D1446-C1450 VanDerWaalsContact O-SG 3.35Å; A1447-C1450 PolarHBondContact O-N 2.88Å; Q1448-C1450 VanDerWaalsContact C-N 3.31Å; Q1448-C1450 PolarHBondContact O-N 3.32Å; C1450-T1453 WeakPolarHBondContact CA-OG1 3.34Å; C1450-T1453 PolarHBondContact O-OG1 3.33Å; C1450-A1454 WeakPolarHBondContact O-CB 3.42Å; C1450-A1454 PolarHBondContact O-N 3.3Å |
| 1451 | I | 88.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 176.4 | -68.2 | 166.5 | 0 | 0 | 0 | 110.3 | A1435 A1447 Q1448 A1454 R1455 L1483 L1486 E1487 I1490 | A1435-I1451 HydrophobicContact CB-CD1 4.5Å; A1435-I1451 HydrophobicContact CB-CG1 3.81Å; A1447-I1451 VanDerWaalsContact O-CG1 3.26Å; A1447-I1451 WeakPolarHBondContact O-CG1 3.5Å; A1447-I1451 PolarHBondContact O-N 3.45Å; Q1448-I1451 PolarHBondContact O-N 2.9Å; Q1448-I1451 VanDerWaalsContact O-N 3.17Å; I1451-A1454 WeakPolarHBondContact O-CB 3.43Å; I1451-A1454 PolarHBondContact O-N 3.26Å; I1451-R1455 VanDerWaalsContact CG2-CZ 3.5Å; I1451-R1455 PolarHBondContact O-N 2.82Å; I1451-R1455 VanDerWaalsContact O-N 3.08Å; I1451-L1483 HydrophobicContact CG2-CB 4.23Å; I1451-L1483 HydrophobicContact CG2-CD2 4.26Å; I1451-L1486 HydrophobicContact CD1-CB 3.92Å; I1451-L1486 HydrophobicContact CG1-CB 4.48Å; I1451-E1487 HydrophobicContact CD1-CG 4.46Å; I1451-I1490 HydrophobicContact CD1-CD1 3.91Å |
| 1452 | D | 86.3 | Confident | 83.9 | Confident | 33 Ų | 33 | 46.4 Ų | 46.4 | 18% | 0.176 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.4 | -41.2 | -179 | -69.4 | -31.9 | 0 | 0 | 0 | 112 | Q1448 V1449 A1454 R1455 D1456 | Q1448-D1452 PolarHBondContact NE2-OD1 3.49Å; Q1448-D1452 PolarHBondContact NE2-OD2 2.98Å; Q1448-D1452 PolarHBondContact O-N 3.37Å; V1449-D1452 PolarHBondContact O-N 3.08Å; D1452-A1454 VanDerWaalsContact C-N 3.3Å; D1452-A1454 PolarHBondContact O-N 2.69Å; D1452-R1455 WeakPolarHBondContact O-CB 3.21Å; D1452-R1455 PolarHBondContact O-N 2.99Å; D1452-R1455 VanDerWaalsContact O-N 3.15Å; D1452-R1455 IonicContact OD1-CZ 3.26Å; D1452-R1455 IonicContact OD1-NH1 3.58Å; D1452-R1455 PolarHBondContact OD1-NH1 3.4Å; D1452-D1456 PolarHBondContact O-N 3.38Å; D1452-D1456 VanDerWaalsContact O-N 3.1Å |
| 1453 | T | 85.4 | Confident | 83.3 | Confident | 58 Ų | 58 | 38.3 Ų | 38.3 | 36% | 0.356 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.1 | -34.1 | 172.3 | 29.9 | 0 | 0 | 0 | 0 | 112.6 | V1449 C1450 R1455 D1456 L1457 | V1449-T1453 PolarHBondContact O-N 3.12Å; V1449-T1453 PolarHBondContact O-OG1 2.98Å; C1450-T1453 WeakPolarHBondContact CA-OG1 3.34Å; C1450-T1453 PolarHBondContact O-OG1 3.33Å; T1453-R1455 VanDerWaalsContact C-N 3.34Å; T1453-D1456 PolarHBondContact O-N 3.27Å; T1453-L1457 WeakPolarHBondContact O-CG 3.42Å; T1453-L1457 PolarHBondContact O-N 2.91Å |
| 1454 | A | 87 | Confident | 82.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.6 | -37.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1431 C1450 I1451 D1452 L1457 I1458 L1483 | C1431-A1454 HydrophobicContact CB-CB 3.96Å; C1450-A1454 WeakPolarHBondContact O-CB 3.42Å; C1450-A1454 PolarHBondContact O-N 3.3Å; I1451-A1454 WeakPolarHBondContact O-CB 3.43Å; I1451-A1454 PolarHBondContact O-N 3.26Å; D1452-A1454 VanDerWaalsContact C-N 3.3Å; D1452-A1454 PolarHBondContact O-N 2.69Å; A1454-L1457 PolarHBondContact O-N 2.75Å; A1454-I1458 VanDerWaalsContact O-CG1 3.3Å; A1454-I1458 WeakPolarHBondContact O-CG1 3.36Å; A1454-I1458 PolarHBondContact O-N 2.6Å; A1454-L1483 HydrophobicContact CB-CD1 3.95Å; A1454-L1483 HydrophobicContact CB-CD2 3.81Å |
| 1455 | R | 87.9 | Confident | 81.3 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.6 | -43.5 | 175.1 | -69.2 | -179.5 | -176.7 | 123.9 | -1.5 | 112.2 | R779 I782 I1451 D1452 T1453 L1457 I1458 D1459 L1483 E1487 | R779-R1455 HydrophobicContact CG-CB 4.24Å; I782-R1455 HydrophobicContact CG2-CB 4.23Å; I782-R1455 HydrophobicContact CG2-CG 4.02Å; I1451-R1455 VanDerWaalsContact CG2-CZ 3.5Å; I1451-R1455 PolarHBondContact O-N 2.82Å; I1451-R1455 VanDerWaalsContact O-N 3.08Å; D1452-R1455 WeakPolarHBondContact O-CB 3.21Å; D1452-R1455 PolarHBondContact O-N 2.99Å; D1452-R1455 VanDerWaalsContact O-N 3.15Å; D1452-R1455 IonicContact OD1-CZ 3.26Å; D1452-R1455 IonicContact OD1-NH1 3.58Å; D1452-R1455 PolarHBondContact OD1-NH1 3.4Å; T1453-R1455 VanDerWaalsContact C-N 3.34Å; R1455-L1457 VanDerWaalsContact C-N 3.28Å; R1455-L1457 PolarHBondContact O-N 3.27Å; R1455-I1458 PolarHBondContact O-N 3.48Å; R1455-D1459 PolarHBondContact O-N 3.29Å; R1455-L1483 HydrophobicContact CG-CD1 3.91Å; R1455-E1487 IonicContact CZ-OE1 3.55Å; R1455-E1487 VanDerWaalsContact CZ-OE1 3.28Å; R1455-E1487 IonicContact NH1-OE1 3.4Å; R1455-E1487 PolarHBondContact NH1-OE1 3.33Å; R1455-E1487 VanDerWaalsContact NH2-CD 3.3Å; R1455-E1487 IonicContact NH2-OE1 3.24Å; R1455-E1487 PolarHBondContact NH2-OE1 3.11Å; R1455-E1487 IonicContact NH2-OE2 3.3Å |
| 1456 | D | 83.2 | Confident | 80.4 | Confident | 45 Ų | 45 | 31.2 Ų | 31.2 | 24% | 0.241 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.5 | -36.6 | 179.1 | -60.2 | -23.9 | 0 | 0 | 0 | 112.1 | R779 D1452 T1453 D1459 | R779-D1456 IonicContact CZ-OD1 3.71Å; R779-D1456 VanDerWaalsContact CZ-OD1 3.31Å; R779-D1456 IonicContact CZ-OD2 2.69Å; R779-D1456 IonicContact NE-OD1 3.81Å; R779-D1456 PolarHBondContact NE-OD1 3.29Å; R779-D1456 IonicContact NE-OD2 3.98Å; R779-D1456 IonicContact NH2-OD1 2.62Å; R779-D1456 PolarHBondContact NH2-OD1 2.9Å; R779-D1456 IonicContact NH2-OD2 2.91Å; R779-D1456 PolarHBondContact NH2-OD2 3.45Å; D1452-D1456 PolarHBondContact O-N 3.38Å; D1452-D1456 VanDerWaalsContact O-N 3.1Å; T1453-D1456 PolarHBondContact O-N 3.27Å; D1456-D1459 WeakPolarHBondContact O-CB 3.31Å |
| 1457 | L | 83.7 | Confident | 79.2 | Confident | 58 Ų | 58 | 29.6 Ų | 29.6 | 30% | 0.304 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -69.2 | -44.4 | 175.4 | -67.7 | 170.7 | 0 | 0 | 0 | 111.4 | S1426 V1428 T1453 A1454 R1455 D1459 T1460 | S1426-L1457 WeakPolarHBondContact O-CD1 3.31Å; V1428-L1457 HydrophobicContact CG2-CB 3.83Å; T1453-L1457 WeakPolarHBondContact O-CG 3.42Å; T1453-L1457 PolarHBondContact O-N 2.91Å; A1454-L1457 PolarHBondContact O-N 2.75Å; R1455-L1457 VanDerWaalsContact C-N 3.28Å; R1455-L1457 PolarHBondContact O-N 3.27Å; L1457-D1459 VanDerWaalsContact C-N 3.3Å; L1457-D1459 PolarHBondContact O-N 3.08Å; L1457-T1460 PolarHBondContact O-N 2.98Å; L1457-T1460 PolarHBondContact O-OG1 2.9Å |
| 1458 | I | 83.8 | Confident | 77.8 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -34.2 | 178.5 | -71.6 | 171.6 | 0 | 0 | 0 | 111.9 | V1428 A1454 R1455 T1460 E1461 L1462 T1479 V1480 L1483 | V1428-I1458 HydrophobicContact CB-CG1 4.44Å; V1428-I1458 HydrophobicContact CG1-CD1 3.7Å; V1428-I1458 HydrophobicContact CG1-CG1 3.68Å; V1428-I1458 HydrophobicContact CG2-CG1 3.82Å; A1454-I1458 VanDerWaalsContact O-CG1 3.3Å; A1454-I1458 WeakPolarHBondContact O-CG1 3.36Å; A1454-I1458 PolarHBondContact O-N 2.6Å; R1455-I1458 PolarHBondContact O-N 3.48Å; I1458-T1460 PolarHBondContact O-N 3.48Å; I1458-T1460 VanDerWaalsContact O-N 3.14Å; I1458-E1461 PolarHBondContact O-N 2.82Å; I1458-L1462 HydrophobicContact CG2-CB 4.05Å; I1458-L1462 HydrophobicContact CG2-CD1 3.79Å; I1458-L1462 VanDerWaalsContact O-CB 3.31Å; I1458-L1462 WeakPolarHBondContact O-CB 3.41Å; I1458-L1462 PolarHBondContact O-N 3.29Å; I1458-T1479 HydrophobicContact CD1-CG2 3.82Å; I1458-V1480 HydrophobicContact CD1-CG2 4.38Å; I1458-V1480 HydrophobicContact CG2-CG2 3.78Å; I1458-L1483 HydrophobicContact CD1-CD1 3.57Å |
| 1459 | D | 80.7 | Confident | 76.6 | Confident | 9 Ų | 9 | 29.1 Ų | 29.1 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -49.1 | -42.9 | 179.9 | -177.6 | 17.8 | 0 | 0 | 0 | 112.3 | R778 I782 R1455 D1456 L1457 E1461 L1462 T1463 | R778-D1459 IonicContact CZ-OD1 3.04Å; R778-D1459 IonicContact CZ-OD2 2.71Å; R778-D1459 IonicContact NE-OD1 3.2Å; R778-D1459 PolarHBondContact NE-OD1 3.29Å; R778-D1459 IonicContact NE-OD2 3.76Å; R778-D1459 PolarHBondContact NE-OD2 3.25Å; R778-D1459 IonicContact NH2-OD1 3.67Å; R778-D1459 PolarHBondContact NH2-OD1 2.89Å; R778-D1459 IonicContact NH2-OD2 3.76Å; R778-D1459 PolarHBondContact NH2-OD2 2.74Å; I782-D1459 HydrophobicContact CD1-CB 3.61Å; R1455-D1459 PolarHBondContact O-N 3.29Å; D1456-D1459 WeakPolarHBondContact O-CB 3.31Å; L1457-D1459 VanDerWaalsContact C-N 3.3Å; L1457-D1459 PolarHBondContact O-N 3.08Å; D1459-E1461 PolarHBondContact O-N 3.07Å; D1459-L1462 PolarHBondContact O-N 3.16Å; D1459-T1463 VanDerWaalsContact O-CB 3.26Å; D1459-T1463 WeakPolarHBondContact O-CB 3.29Å; D1459-T1463 PolarHBondContact O-N 3.34Å; D1459-T1463 PolarHBondContact O-OG1 2.79Å; D1459-T1463 PolarHBondContact OD1-OG1 3.47Å |
| 1460 | T | 74 | Confident | 75.8 | Confident | 65 Ų | 65 | 25.7 Ų | 25.7 | 40% | 0.399 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -65 | -39.7 | 179.1 | 65.1 | 0 | 0 | 0 | 0 | 113.3 | L1457 I1458 | L1457-T1460 PolarHBondContact O-N 2.98Å; L1457-T1460 PolarHBondContact O-OG1 2.9Å; I1458-T1460 PolarHBondContact O-N 3.48Å; I1458-T1460 VanDerWaalsContact O-N 3.14Å |
| 1461 | E | 72.2 | Confident | 74.9 | Confident | 77 Ų | 77 | 26.9 Ų | 26.9 | 36% | 0.36 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -72 | -46.5 | 176.3 | -61.8 | -170 | 179.1 | 0 | 0 | 110.5 | R1278 I1458 D1459 A1464 M1465 | R1278-E1461 IonicContact NH2-OE2 3.53Å; I1458-E1461 PolarHBondContact O-N 2.82Å; D1459-E1461 PolarHBondContact O-N 3.07Å; E1461-A1464 PolarHBondContact O-N 2.88Å; E1461-M1465 HydrophobicContact CB-CE 3.75Å; E1461-M1465 VanDerWaalsContact O-CE 3.28Å; E1461-M1465 WeakPolarHBondContact O-CE 3.17Å; E1461-M1465 WeakPolarHBondContact O-CG 3.2Å; E1461-M1465 PolarHBondContact O-N 3.47Å |
| 1462 | L | 74.8 | Confident | 74 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.5 | -41.5 | -172.4 | -157.5 | 138.9 | 0 | 0 | 0 | 111.2 | L769 I1458 D1459 A1464 M1465 V1466 M1477 V1480 | L769-L1462 HydrophobicContact CD1-CD2 3.74Å; I1458-L1462 HydrophobicContact CG2-CB 4.05Å; I1458-L1462 HydrophobicContact CG2-CD1 3.79Å; I1458-L1462 VanDerWaalsContact O-CB 3.31Å; I1458-L1462 WeakPolarHBondContact O-CB 3.41Å; I1458-L1462 PolarHBondContact O-N 3.29Å; D1459-L1462 PolarHBondContact O-N 3.16Å; L1462-A1464 VanDerWaalsContact C-N 3.33Å; L1462-A1464 PolarHBondContact O-N 2.92Å; L1462-M1465 PolarHBondContact O-N 3.27Å; L1462-V1466 HydrophobicContact CD2-CG2 3.64Å; L1462-V1466 HydrophobicContact CG-CG2 4.1Å; L1462-V1466 VanDerWaalsContact O-CB 3.24Å; L1462-V1466 WeakPolarHBondContact O-CB 3.34Å; L1462-V1466 WeakPolarHBondContact O-CG2 3.42Å; L1462-V1466 PolarHBondContact O-N 3.37Å; L1462-M1477 HydrophobicContact CD1-SD 4.02Å; L1462-M1477 HydrophobicContact CD2-SD 4.46Å; L1462-V1480 HydrophobicContact CD1-CG2 3.67Å |
| 1463 | T | 71.4 | Confident | 73.4 | Confident | 24 Ų | 24 | 26.6 Ų | 26.6 | 15% | 0.147 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.9 | -39.7 | 176.8 | -58.3 | 0 | 0 | 0 | 0 | 112 | R778 D1459 S1467 | R778-T1463 PolarHBondContact NH2-OG1 3.4Å; D1459-T1463 VanDerWaalsContact O-CB 3.26Å; D1459-T1463 WeakPolarHBondContact O-CB 3.29Å; D1459-T1463 PolarHBondContact O-N 3.34Å; D1459-T1463 PolarHBondContact O-OG1 2.79Å; D1459-T1463 PolarHBondContact OD1-OG1 3.47Å; T1463-S1467 PolarHBondContact O-N 2.87Å |
| 1464 | A | 65.2 | Low | 73.2 | Confident | 15 Ų | 15 | 24 Ų | 24 | 12% | 0.124 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.1 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P1242 E1461 L1462 S1467 | P1242-A1464 HydrophobicContact CB-CB 4.49Å; P1242-A1464 HydrophobicContact CG-CB 4.46Å; E1461-A1464 PolarHBondContact O-N 2.88Å; L1462-A1464 VanDerWaalsContact C-N 3.33Å; L1462-A1464 PolarHBondContact O-N 2.92Å; A1464-S1467 PolarHBondContact O-OG 2.96Å |
| 1465 | M | 67.4 | Low | 72.9 | Confident | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -76.8 | -42.4 | -176.2 | -71.6 | -175.6 | -76.9 | 0 | 0 | 113.9 | E1461 L1462 S1467 E1468 S1469 R1472 A1473 S1476 | E1461-M1465 HydrophobicContact CB-CE 3.75Å; E1461-M1465 VanDerWaalsContact O-CE 3.28Å; E1461-M1465 WeakPolarHBondContact O-CE 3.17Å; E1461-M1465 WeakPolarHBondContact O-CG 3.2Å; E1461-M1465 PolarHBondContact O-N 3.47Å; L1462-M1465 PolarHBondContact O-N 3.27Å; M1465-S1467 PolarHBondContact O-N 2.72Å; M1465-E1468 PolarHBondContact O-N 3.2Å; M1465-S1469 PolarHBondContact O-N 3.03Å; M1465-R1472 HydrophobicContact CB-CG 4.29Å; M1465-R1472 HydrophobicContact CG-CG 4.17Å; M1465-R1472 HydrophobicContact SD-CG 4.4Å; M1465-A1473 HydrophobicContact CB-CB 3.95Å; M1465-S1476 WeakPolarHBondContact CE-OG 3.28Å |
| 1466 | V | 65.6 | Low | 72.6 | Confident | 13 Ų | 13 | 28.6 Ų | 28.6 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.7 | -18.9 | 178.9 | 169 | 0 | 0 | 0 | 0 | 111.9 | L766 K770 L1462 E1468 A1473 | L766-V1466 HydrophobicContact CB-CG1 3.7Å; L766-V1466 HydrophobicContact CD1-CG1 4.09Å; L766-V1466 HydrophobicContact CD2-CG1 3.79Å; L766-V1466 HydrophobicContact CD2-CG2 4.02Å; L766-V1466 HydrophobicContact CG-CG1 4.04Å; K770-V1466 PolarHBondContact NZ-O 3.12Å; L1462-V1466 HydrophobicContact CD2-CG2 3.64Å; L1462-V1466 HydrophobicContact CG-CG2 4.1Å; L1462-V1466 VanDerWaalsContact O-CB 3.24Å; L1462-V1466 WeakPolarHBondContact O-CB 3.34Å; L1462-V1466 WeakPolarHBondContact O-CG2 3.42Å; L1462-V1466 PolarHBondContact O-N 3.37Å; V1466-E1468 PolarHBondContact O-N 3.46Å; V1466-A1473 HydrophobicContact CG2-CB 3.58Å |
| 1467 | S | 57.5 | Low | 72.7 | Confident | 52 Ų | 52 | 26.5 Ų | 26.5 | 36% | 0.364 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32.2 | 175.1 | 75.8 | 0 | 0 | 0 | 0 | 113.9 | T1463 A1464 M1465 | T1463-S1467 PolarHBondContact O-N 2.87Å; A1464-S1467 PolarHBondContact O-OG 2.96Å; M1465-S1467 PolarHBondContact O-N 2.72Å |
| 1468 | E | 57.1 | Low | 72.8 | Confident | 22 Ų | 22 | 23.9 Ų | 23.9 | 10% | 0.103 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -53.4 | -176.6 | -68.6 | -175.3 | -178.4 | 0 | 0 | 113.5 | Q1246 K1282 M1465 V1466 R1472 | Q1246-E1468 PolarHBondContact OE1-OE1 2.7Å; K1282-E1468 IonicContact NZ-OE1 3.41Å; K1282-E1468 PolarHBondContact NZ-OE1 3.19Å; M1465-E1468 PolarHBondContact O-N 3.2Å; V1466-E1468 PolarHBondContact O-N 3.46Å; E1468-R1472 IonicContact OE1-NH1 2.81Å; E1468-R1472 PolarHBondContact OE1-NH1 3.07Å; E1468-R1472 IonicContact OE2-CZ 2.98Å; E1468-R1472 IonicContact OE2-NH1 3.16Å; E1468-R1472 PolarHBondContact OE2-NH1 3.21Å |
| 1469 | S | 61.5 | Low | 73 | Confident | 20 Ų | 20 | 25.1 Ų | 25.1 | 14% | 0.14 | 14% | 0.141 | C | C | . | . | trans | -155.8 | 141.3 | -176.6 | 72 | 0 | 0 | 0 | 0 | 112.6 | M1465 S1471 R1472 A1473 | M1465-S1469 PolarHBondContact O-N 3.03Å; S1469-S1471 VanDerWaalsContact C-N 3.26Å; S1469-S1471 PolarHBondContact O-N 3.49Å; S1469-S1471 PolarHBondContact OG-OG 3.33Å; S1469-R1472 PolarHBondContact O-N 2.88Å; S1469-R1472 WeakPolarHBondContact OG-CB 3.44Å; S1469-R1472 PolarHBondContact OG-N 3.44Å; S1469-A1473 PolarHBondContact O-N 2.8Å | ||
| 1470 | Y | 71 | Confident | 73.4 | Confident | 22 Ų | 22 | 24.8 Ų | 24.8 | 9% | 0.086 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.9 | -34.8 | 173.8 | -177.3 | -95.2 | 0 | 0 | 0 | 112 | L762 L766 L791 P793 E796 R1472 A1473 Y1474 M1477 | L762-Y1470 HydrophobicContact CD2-CD2 4.43Å; L762-Y1470 HydrophobicContact CD2-CE2 3.91Å; L766-Y1470 HydrophobicContact CD1-CD2 4.04Å; L791-Y1470 PolarHBondContact N-OH 3.36Å; L791-Y1470 VanDerWaalsContact O-CE1 3.28Å; L791-Y1470 WeakPolarHBondContact O-CE1 3.47Å; L791-Y1470 PolarHBondContact O-OH 3.13Å; P793-Y1470 HydrophobicContact CG-CD1 4.48Å; E796-Y1470 HydrophobicContact CB-CD1 4.34Å; E796-Y1470 HydrophobicContact CB-CE1 4.37Å; E796-Y1470 HydrophobicContact CG-CD1 4.17Å; E796-Y1470 HydrophobicContact CG-CE1 4.43Å; E796-Y1470 HydrophobicContact CG-CG 4.39Å; Y1470-R1472 VanDerWaalsContact C-N 3.27Å; Y1470-R1472 PolarHBondContact O-N 3.1Å; Y1470-A1473 PolarHBondContact O-N 3.18Å; Y1470-Y1474 HydrophobicContact CE1-CD2 4.12Å; Y1470-Y1474 PolarHBondContact O-N 3.4Å; Y1470-Y1474 VanDerWaalsContact O-N 3.09Å; Y1470-M1477 HydrophobicContact CE2-CE 3.65Å; Y1470-M1477 HydrophobicContact CE2-CG 4.33Å; Y1470-M1477 HydrophobicContact CE2-SD 4.49Å |
| 1471 | S | 69.2 | Low | 74.2 | Confident | 40 Ų | 40 | 21.7 Ų | 21.7 | 28% | 0.28 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -59 | -36.1 | 177.1 | 40.3 | 0 | 0 | 0 | 0 | 112.9 | S1469 Y1474 | S1469-S1471 VanDerWaalsContact C-N 3.26Å; S1469-S1471 PolarHBondContact O-N 3.49Å; S1469-S1471 PolarHBondContact OG-OG 3.33Å; S1471-Y1474 VanDerWaalsContact O-CB 3.32Å; S1471-Y1474 WeakPolarHBondContact O-CB 3.42Å; S1471-Y1474 PolarHBondContact O-N 3.25Å |
| 1472 | R | 68.5 | Low | 75.1 | Confident | 26 Ų | 26 | 18.7 Ų | 18.7 | 10% | 0.098 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -72.9 | -38.6 | 177.5 | -177.5 | 178.4 | 170.7 | -175.4 | -1.8 | 112.4 | T1277 R1278 A1279 M1465 E1468 S1469 Y1470 Y1474 | T1277-R1472 VanDerWaalsContact C-NH2 3.31Å; T1277-R1472 PolarHBondContact O-NH2 2.91Å; R1278-R1472 VanDerWaalsContact C-NE 3.26Å; R1278-R1472 WeakPolarHBondContact O-CD 2.98Å; R1278-R1472 VanDerWaalsContact O-CZ 3.25Å; R1278-R1472 PolarHBondContact O-NE 2.94Å; A1279-R1472 VanDerWaalsContact CA-CZ 3.45Å; A1279-R1472 VanDerWaalsContact N-CZ 3.34Å; M1465-R1472 HydrophobicContact CB-CG 4.29Å; M1465-R1472 HydrophobicContact CG-CG 4.17Å; M1465-R1472 HydrophobicContact SD-CG 4.4Å; E1468-R1472 IonicContact OE1-NH1 2.81Å; E1468-R1472 PolarHBondContact OE1-NH1 3.07Å; E1468-R1472 IonicContact OE2-CZ 2.98Å; E1468-R1472 IonicContact OE2-NH1 3.16Å; E1468-R1472 PolarHBondContact OE2-NH1 3.21Å; S1469-R1472 PolarHBondContact O-N 2.88Å; S1469-R1472 WeakPolarHBondContact OG-CB 3.44Å; S1469-R1472 PolarHBondContact OG-N 3.44Å; Y1470-R1472 VanDerWaalsContact C-N 3.27Å; Y1470-R1472 PolarHBondContact O-N 3.1Å; R1472-Y1474 PolarHBondContact O-N 3.46Å |
| 1473 | A | 74.2 | Confident | 75.9 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -73.8 | -12 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1465 V1466 S1469 Y1470 E1475 S1476 M1477 | M1465-A1473 HydrophobicContact CB-CB 3.95Å; V1466-A1473 HydrophobicContact CG2-CB 3.58Å; S1469-A1473 PolarHBondContact O-N 2.8Å; Y1470-A1473 PolarHBondContact O-N 3.18Å; A1473-E1475 PolarHBondContact O-N 3.4Å; A1473-S1476 CarbonylContact O-C 3.51Å; A1473-S1476 WeakPolarHBondContact O-CA 3.5Å; A1473-S1476 WeakPolarHBondContact O-CB 3.45Å; A1473-S1476 PolarHBondContact O-N 3.37Å; A1473-M1477 HydrophobicContact CB-CG 4.36Å; A1473-M1477 WeakPolarHBondContact O-CG 3.21Å; A1473-M1477 PolarHBondContact O-N 2.87Å |
| 1474 | Y | 82.1 | Confident | 76.7 | Confident | 4 Ų | 4 | 17.5 Ų | 17.5 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -53.8 | -45.3 | -168.8 | -173.2 | -105.3 | 0 | 0 | 0 | 114.4 | A790 L791 P793 Y1470 S1471 R1472 S1476 M1477 V1478 C1513 Q1514 | A790-Y1474 HydrophobicContact CB-CE2 3.88Å; L791-Y1474 WeakPolarHBondContact O-CD2 3.35Å; L791-Y1474 WeakPolarHBondContact O-CE2 3.48Å; P793-Y1474 HydrophobicContact CG-CD2 3.96Å; P793-Y1474 HydrophobicContact CG-CG 4.06Å; Y1470-Y1474 HydrophobicContact CE1-CD2 4.12Å; Y1470-Y1474 PolarHBondContact O-N 3.4Å; Y1470-Y1474 VanDerWaalsContact O-N 3.09Å; S1471-Y1474 VanDerWaalsContact O-CB 3.32Å; S1471-Y1474 WeakPolarHBondContact O-CB 3.42Å; S1471-Y1474 PolarHBondContact O-N 3.25Å; R1472-Y1474 PolarHBondContact O-N 3.46Å; Y1474-S1476 VanDerWaalsContact C-N 3.26Å; Y1474-S1476 PolarHBondContact O-N 3.1Å; Y1474-M1477 WeakPolarHBondContact O-CA 3.33Å; Y1474-M1477 WeakPolarHBondContact O-CB 3.43Å; Y1474-M1477 PolarHBondContact O-N 2.8Å; Y1474-M1477 VanDerWaalsContact O-N 3.09Å; Y1474-V1478 HydrophobicContact CD1-CG2 4.39Å; Y1474-V1478 HydrophobicContact CE1-CG2 3.9Å; Y1474-V1478 WeakPolarHBondContact O-CG2 3.38Å; Y1474-V1478 PolarHBondContact O-N 2.8Å; Y1474-C1513 PolarHBondContact OH-SG 3.2Å; Y1474-Q1514 HydrophobicContact CE1-CB 3.59Å; Y1474-Q1514 HydrophobicContact CE1-CG 4.4Å; Y1474-Q1514 WeakPolarHBondContact OH-CB 3.2Å; Y1474-Q1514 PolarHBondContact OH-N 3.32Å |
| 1475 | E | 80 | Confident | 77.8 | Confident | 91 Ų | 91 | 16.8 Ų | 16.8 | 43% | 0.425 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -61.9 | -37.6 | 177.8 | -172.7 | 176 | -168.3 | 0 | 0 | 111.6 | A1473 M1477 V1478 T1479 R1522 | A1473-E1475 PolarHBondContact O-N 3.4Å; E1475-M1477 VanDerWaalsContact C-N 3.34Å; E1475-V1478 WeakPolarHBondContact O-CB 3.39Å; E1475-V1478 PolarHBondContact O-N 2.95Å; E1475-T1479 PolarHBondContact O-N 3.34Å; E1475-T1479 PolarHBondContact O-OG1 3.31Å; E1475-R1522 IonicContact OE1-CZ 2.74Å; E1475-R1522 IonicContact OE1-NH1 3.83Å; E1475-R1522 PolarHBondContact OE1-NH1 3.45Å; E1475-R1522 IonicContact OE1-NH2 2.88Å |
| 1476 | S | 82.7 | Confident | 78.9 | Confident | 6 Ų | 6 | 16.5 Ų | 16.5 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -71.2 | -32.8 | 176.4 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | M1465 A1473 Y1474 V1478 T1479 V1480 | M1465-S1476 WeakPolarHBondContact CE-OG 3.28Å; A1473-S1476 CarbonylContact O-C 3.51Å; A1473-S1476 WeakPolarHBondContact O-CA 3.5Å; A1473-S1476 WeakPolarHBondContact O-CB 3.45Å; A1473-S1476 PolarHBondContact O-N 3.37Å; Y1474-S1476 VanDerWaalsContact C-N 3.26Å; Y1474-S1476 PolarHBondContact O-N 3.1Å; S1476-V1478 VanDerWaalsContact C-N 3.31Å; S1476-V1478 PolarHBondContact O-N 2.68Å; S1476-T1479 WeakPolarHBondContact O-CB 3.46Å; S1476-T1479 PolarHBondContact O-N 3.44Å; S1476-V1480 WeakPolarHBondContact O-CG2 3.47Å; S1476-V1480 PolarHBondContact O-N 2.96Å |
| 1477 | M | 84 | Confident | 80 | Confident | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64 | -36.4 | 173.1 | -62.9 | -72.4 | -68.9 | 0 | 0 | 111.6 | V785 A790 L1462 Y1470 A1473 Y1474 E1475 T1479 V1480 Q1481 | V785-M1477 HydrophobicContact CG1-CE 3.07Å; V785-M1477 HydrophobicContact CG1-SD 3.75Å; A790-M1477 HydrophobicContact CB-CB 4.07Å; L1462-M1477 HydrophobicContact CD1-SD 4.02Å; L1462-M1477 HydrophobicContact CD2-SD 4.46Å; Y1470-M1477 HydrophobicContact CE2-CE 3.65Å; Y1470-M1477 HydrophobicContact CE2-CG 4.33Å; Y1470-M1477 HydrophobicContact CE2-SD 4.49Å; A1473-M1477 HydrophobicContact CB-CG 4.36Å; A1473-M1477 WeakPolarHBondContact O-CG 3.21Å; A1473-M1477 PolarHBondContact O-N 2.87Å; Y1474-M1477 WeakPolarHBondContact O-CA 3.33Å; Y1474-M1477 WeakPolarHBondContact O-CB 3.43Å; Y1474-M1477 PolarHBondContact O-N 2.8Å; Y1474-M1477 VanDerWaalsContact O-N 3.09Å; E1475-M1477 VanDerWaalsContact C-N 3.34Å; M1477-T1479 VanDerWaalsContact C-N 3.35Å; M1477-V1480 PolarHBondContact O-N 3.44Å; M1477-Q1481 PolarHBondContact O-N 3.21Å |
| 1478 | V | 86.9 | Confident | 81.3 | Confident | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.012 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 172.3 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | A790 Y1474 E1475 S1476 V1480 Q1481 M1482 D1519 L1523 | A790-V1478 HydrophobicContact CB-CG2 3.89Å; Y1474-V1478 HydrophobicContact CD1-CG2 4.39Å; Y1474-V1478 HydrophobicContact CE1-CG2 3.9Å; Y1474-V1478 WeakPolarHBondContact O-CG2 3.38Å; Y1474-V1478 PolarHBondContact O-N 2.8Å; E1475-V1478 WeakPolarHBondContact O-CB 3.39Å; E1475-V1478 PolarHBondContact O-N 2.95Å; S1476-V1478 VanDerWaalsContact C-N 3.31Å; S1476-V1478 PolarHBondContact O-N 2.68Å; V1478-V1480 PolarHBondContact O-N 3.22Å; V1478-Q1481 WeakPolarHBondContact O-CB 3.48Å; V1478-Q1481 PolarHBondContact O-N 3.49Å; V1478-M1482 HydrophobicContact CG1-SD 4.22Å; V1478-M1482 VanDerWaalsContact O-CG 3.3Å; V1478-M1482 WeakPolarHBondContact O-CG 3.34Å; V1478-M1482 PolarHBondContact O-N 3.47Å; V1478-D1519 HydrophobicContact CG1-CB 4.47Å; V1478-L1523 HydrophobicContact CG1-CD1 4.4Å; V1478-L1523 HydrophobicContact CG1-CG 4.35Å |
| 1479 | T | 87.8 | Confident | 82.7 | Confident | 31 Ų | 31 | 12.8 Ų | 12.8 | 19% | 0.19 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63 | -41.2 | 175.2 | -45.5 | 0 | 0 | 0 | 0 | 112 | V1428 I1458 E1475 S1476 M1477 Q1481 M1482 L1483 | V1428-T1479 HydrophobicContact CG1-CG2 4.25Å; I1458-T1479 HydrophobicContact CD1-CG2 3.82Å; E1475-T1479 PolarHBondContact O-N 3.34Å; E1475-T1479 PolarHBondContact O-OG1 3.31Å; S1476-T1479 WeakPolarHBondContact O-CB 3.46Å; S1476-T1479 PolarHBondContact O-N 3.44Å; M1477-T1479 VanDerWaalsContact C-N 3.35Å; T1479-Q1481 VanDerWaalsContact C-N 3.33Å; T1479-Q1481 PolarHBondContact O-N 2.68Å; T1479-M1482 WeakPolarHBondContact O-CB 3.33Å; T1479-M1482 PolarHBondContact O-N 3.03Å; T1479-M1482 VanDerWaalsContact O-N 3.14Å; T1479-L1483 WeakPolarHBondContact O-CG 3.48Å; T1479-L1483 PolarHBondContact O-N 3.09Å |
| 1480 | V | 89.2 | Confident | 84 | Confident | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.006 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 174 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | I782 I1458 L1462 S1476 M1477 V1478 L1483 S1484 | I782-V1480 HydrophobicContact CG2-CB 4.4Å; I782-V1480 HydrophobicContact CG2-CG1 3.62Å; I782-V1480 HydrophobicContact CG2-CG2 3.83Å; I782-V1480 WeakPolarHBondContact O-CG1 3.47Å; I1458-V1480 HydrophobicContact CD1-CG2 4.38Å; I1458-V1480 HydrophobicContact CG2-CG2 3.78Å; L1462-V1480 HydrophobicContact CD1-CG2 3.67Å; S1476-V1480 WeakPolarHBondContact O-CG2 3.47Å; S1476-V1480 PolarHBondContact O-N 2.96Å; M1477-V1480 PolarHBondContact O-N 3.44Å; V1478-V1480 PolarHBondContact O-N 3.22Å; V1480-L1483 PolarHBondContact O-N 3.27Å; V1480-S1484 PolarHBondContact O-N 2.8Å; V1480-S1484 VanDerWaalsContact O-N 3.12Å; V1480-S1484 PolarHBondContact O-OG 3.08Å |
| 1481 | Q | 90.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 171.9 | -179.9 | 178.8 | -26.8 | 0 | 0 | 111.3 | M1477 V1478 T1479 L1483 S1484 E1485 L1523 | M1477-Q1481 PolarHBondContact O-N 3.21Å; V1478-Q1481 WeakPolarHBondContact O-CB 3.48Å; V1478-Q1481 PolarHBondContact O-N 3.49Å; T1479-Q1481 VanDerWaalsContact C-N 3.33Å; T1479-Q1481 PolarHBondContact O-N 2.68Å; Q1481-L1483 VanDerWaalsContact C-N 3.33Å; Q1481-L1483 PolarHBondContact O-N 3.44Å; Q1481-S1484 WeakPolarHBondContact CA-OG 3.3Å; Q1481-S1484 PolarHBondContact O-N 2.84Å; Q1481-S1484 PolarHBondContact O-OG 2.75Å; Q1481-S1484 VanDerWaalsContact O-OG 3.04Å; Q1481-E1485 HydrophobicContact CG-CG 4.42Å; Q1481-E1485 PolarHBondContact NE2-OE1 3.32Å; Q1481-E1485 PolarHBondContact O-N 3.3Å; Q1481-L1523 HydrophobicContact CG-CD2 4.15Å |
| 1482 | M | 90.7 | Very high | 85 | Confident | 14 Ų | 14 | 11.7 Ų | 11.7 | 7% | 0.069 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62.1 | -39.6 | 176.9 | -68.9 | 168 | 64.3 | 0 | 0 | 111.8 | F1432 V1478 T1479 S1484 E1485 L1486 R1522 L1523 V1526 | F1432-M1482 HydrophobicContact CE1-CE 4.08Å; F1432-M1482 HydrophobicContact CE2-CB 3.88Å; F1432-M1482 HydrophobicContact CE2-CE 3.81Å; F1432-M1482 HydrophobicContact CZ-CB 4.42Å; F1432-M1482 HydrophobicContact CZ-CE 3.36Å; V1478-M1482 HydrophobicContact CG1-SD 4.22Å; V1478-M1482 VanDerWaalsContact O-CG 3.3Å; V1478-M1482 WeakPolarHBondContact O-CG 3.34Å; V1478-M1482 PolarHBondContact O-N 3.47Å; T1479-M1482 WeakPolarHBondContact O-CB 3.33Å; T1479-M1482 PolarHBondContact O-N 3.03Å; T1479-M1482 VanDerWaalsContact O-N 3.14Å; M1482-S1484 VanDerWaalsContact C-N 3.34Å; M1482-S1484 PolarHBondContact O-N 3.34Å; M1482-E1485 PolarHBondContact O-N 3Å; M1482-L1486 WeakPolarHBondContact O-CB 3.38Å; M1482-L1486 PolarHBondContact O-N 2.81Å; M1482-R1522 HydrophobicContact CE-CB 4.08Å; M1482-R1522 HydrophobicContact SD-CB 4.02Å; M1482-L1523 HydrophobicContact CG-CD2 3.66Å; M1482-L1523 HydrophobicContact CG-CG 4.42Å; M1482-V1526 HydrophobicContact CB-CG2 4.2Å; M1482-V1526 HydrophobicContact CE-CG2 3.81Å; M1482-V1526 HydrophobicContact CG-CG2 4.16Å |
| 1483 | L | 90.7 | Very high | 85.6 | Confident | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.4 | -36.3 | 175.7 | -71.2 | 174.9 | 0 | 0 | 0 | 112.8 | F1432 I1451 A1454 R1455 I1458 T1479 V1480 Q1481 L1486 E1487 | F1432-L1483 HydrophobicContact CD2-CD2 3.96Å; I1451-L1483 HydrophobicContact CG2-CB 4.23Å; I1451-L1483 HydrophobicContact CG2-CD2 4.26Å; A1454-L1483 HydrophobicContact CB-CD1 3.95Å; A1454-L1483 HydrophobicContact CB-CD2 3.81Å; R1455-L1483 HydrophobicContact CG-CD1 3.91Å; I1458-L1483 HydrophobicContact CD1-CD1 3.57Å; T1479-L1483 WeakPolarHBondContact O-CG 3.48Å; T1479-L1483 PolarHBondContact O-N 3.09Å; V1480-L1483 PolarHBondContact O-N 3.27Å; Q1481-L1483 VanDerWaalsContact C-N 3.33Å; Q1481-L1483 PolarHBondContact O-N 3.44Å; L1483-L1486 HydrophobicContact CD2-CD1 4.45Å; L1483-L1486 WeakPolarHBondContact O-CB 3.48Å; L1483-E1487 PolarHBondContact O-N 3.09Å |
| 1484 | S | 89.1 | Confident | 86 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -77 | -35.4 | 176 | 31.3 | 0 | 0 | 0 | 0 | 112.3 | G786 V1480 Q1481 M1482 L1486 E1487 E1488 | G786-S1484 WeakPolarHBondContact CA-OG 3.38Å; G786-S1484 PolarHBondContact O-OG 2.83Å; V1480-S1484 PolarHBondContact O-N 2.8Å; V1480-S1484 VanDerWaalsContact O-N 3.12Å; V1480-S1484 PolarHBondContact O-OG 3.08Å; Q1481-S1484 WeakPolarHBondContact CA-OG 3.3Å; Q1481-S1484 PolarHBondContact O-N 2.84Å; Q1481-S1484 PolarHBondContact O-OG 2.75Å; Q1481-S1484 VanDerWaalsContact O-OG 3.04Å; M1482-S1484 VanDerWaalsContact C-N 3.34Å; M1482-S1484 PolarHBondContact O-N 3.34Å; S1484-L1486 VanDerWaalsContact C-N 3.33Å; S1484-L1486 PolarHBondContact O-N 3Å; S1484-E1487 WeakPolarHBondContact O-CB 3.46Å; S1484-E1487 PolarHBondContact O-N 3.16Å; S1484-E1488 PolarHBondContact O-N 3.38Å |
| 1485 | E | 88.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.2 | -34.3 | 169.9 | -73.1 | -166.2 | -166.7 | 0 | 0 | 112 | Q1481 M1482 E1487 E1488 A1489 W1506 R1509 V1526 R1527 | Q1481-E1485 HydrophobicContact CG-CG 4.42Å; Q1481-E1485 PolarHBondContact NE2-OE1 3.32Å; Q1481-E1485 PolarHBondContact O-N 3.3Å; M1482-E1485 PolarHBondContact O-N 3Å; E1485-E1487 VanDerWaalsContact C-N 3.33Å; E1485-E1487 PolarHBondContact O-N 3.02Å; E1485-E1488 PolarHBondContact O-N 2.91Å; E1485-A1489 WeakPolarHBondContact O-CB 3.49Å; E1485-A1489 PolarHBondContact O-N 2.91Å; E1485-W1506 HydrophobicContact CB-CZ2 4.07Å; E1485-W1506 HydrophobicContact CG-CZ2 4.41Å; E1485-W1506 WeakPolarHBondContact O-CZ2 3.25Å; E1485-R1509 IonicContact OE1-NH1 3.21Å; E1485-V1526 HydrophobicContact CB-CG1 4.02Å; E1485-R1527 IonicContact OE1-CZ 3.37Å; E1485-R1527 IonicContact OE1-NE 3.66Å; E1485-R1527 IonicContact OE1-NH2 2.68Å; E1485-R1527 PolarHBondContact OE1-NH2 3.18Å; E1485-R1527 WeakPolarHBondContact OE2-CG 3.45Å; E1485-R1527 IonicContact OE2-CZ 3.39Å; E1485-R1527 IonicContact OE2-NE 3.88Å; E1485-R1527 PolarHBondContact OE2-NE 2.93Å; E1485-R1527 IonicContact OE2-NH2 2.97Å |
| 1486 | L | 90.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.5 | -40 | 170.9 | -90.8 | 157 | 0 | 0 | 0 | 112.4 | F1432 V1436 I1439 I1451 M1482 L1483 S1484 A1489 I1490 V1526 L1529 | F1432-L1486 HydrophobicContact CD2-CD1 3.66Å; F1432-L1486 HydrophobicContact CE2-CD1 3.2Å; F1432-L1486 HydrophobicContact CE2-CG 4.47Å; F1432-L1486 HydrophobicContact CZ-CD1 3.81Å; V1436-L1486 HydrophobicContact CG2-CD1 4.47Å; V1436-L1486 HydrophobicContact CG2-CD2 3.92Å; I1439-L1486 HydrophobicContact CD1-CB 4.38Å; I1439-L1486 HydrophobicContact CD1-CD2 3.25Å; I1439-L1486 HydrophobicContact CD1-CG 4.43Å; I1451-L1486 HydrophobicContact CD1-CB 3.92Å; I1451-L1486 HydrophobicContact CG1-CB 4.48Å; M1482-L1486 WeakPolarHBondContact O-CB 3.38Å; M1482-L1486 PolarHBondContact O-N 2.81Å; L1483-L1486 HydrophobicContact CD2-CD1 4.45Å; L1483-L1486 WeakPolarHBondContact O-CB 3.48Å; S1484-L1486 VanDerWaalsContact C-N 3.33Å; S1484-L1486 PolarHBondContact O-N 3Å; L1486-A1489 WeakPolarHBondContact O-CB 3.44Å; L1486-A1489 PolarHBondContact O-N 3.37Å; L1486-I1490 WeakPolarHBondContact O-CG1 3.49Å; L1486-I1490 PolarHBondContact O-N 2.98Å; L1486-I1490 VanDerWaalsContact O-N 3.13Å; L1486-V1526 HydrophobicContact CG-CG1 4.2Å; L1486-L1529 HydrophobicContact CD2-CD1 4.21Å |
| 1487 | E | 88.1 | Confident | 84.8 | Confident | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.028 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 174.6 | -123 | -177 | -134.2 | 0 | 0 | 112.1 | R783 Q1448 I1451 R1455 L1483 S1484 E1485 A1489 I1490 E1491 | R783-E1487 IonicContact CZ-OE1 3.57Å; R783-E1487 IonicContact CZ-OE2 3.67Å; R783-E1487 IonicContact NE-OE1 2.98Å; R783-E1487 IonicContact NE-OE2 2.84Å; R783-E1487 PolarHBondContact NE-OE2 3.16Å; R783-E1487 IonicContact NH2-OE1 3.54Å; R783-E1487 IonicContact NH2-OE2 3.44Å; R783-E1487 PolarHBondContact NH2-OE2 3.39Å; Q1448-E1487 PolarHBondContact NE2-OE1 3.47Å; I1451-E1487 HydrophobicContact CD1-CG 4.46Å; R1455-E1487 IonicContact CZ-OE1 3.55Å; R1455-E1487 VanDerWaalsContact CZ-OE1 3.28Å; R1455-E1487 IonicContact NH1-OE1 3.4Å; R1455-E1487 PolarHBondContact NH1-OE1 3.33Å; R1455-E1487 VanDerWaalsContact NH2-CD 3.3Å; R1455-E1487 IonicContact NH2-OE1 3.24Å; R1455-E1487 PolarHBondContact NH2-OE1 3.11Å; R1455-E1487 IonicContact NH2-OE2 3.3Å; L1483-E1487 PolarHBondContact O-N 3.09Å; S1484-E1487 WeakPolarHBondContact O-CB 3.46Å; S1484-E1487 PolarHBondContact O-N 3.16Å; E1485-E1487 VanDerWaalsContact C-N 3.33Å; E1485-E1487 PolarHBondContact O-N 3.02Å; E1487-A1489 VanDerWaalsContact C-N 3.26Å; E1487-A1489 PolarHBondContact O-N 3.41Å; E1487-I1490 WeakPolarHBondContact O-CB 3.37Å; E1487-I1490 PolarHBondContact O-N 3.05Å; E1487-E1491 PolarHBondContact O-N 3.42Å |
| 1488 | E | 85.7 | Confident | 84.1 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.3 | -32.5 | 173.8 | -69.8 | 172.3 | 156.9 | 0 | 0 | 111.4 | L787 S1484 E1485 E1491 V1492 I1502 W1506 R1509 | L787-E1488 HydrophobicContact CD2-CG 4.48Å; L787-E1488 WeakPolarHBondContact CD2-OE1 3.28Å; S1484-E1488 PolarHBondContact O-N 3.38Å; E1485-E1488 PolarHBondContact O-N 2.91Å; E1488-E1491 WeakPolarHBondContact O-CB 3.41Å; E1488-E1491 PolarHBondContact O-N 3.48Å; E1488-V1492 WeakPolarHBondContact O-CG2 3.31Å; E1488-V1492 PolarHBondContact O-N 2.99Å; E1488-I1502 HydrophobicContact CB-CD1 4.49Å; E1488-W1506 HydrophobicContact CB-CZ2 4.08Å; E1488-W1506 PolarHBondContact OE2-NE1 3.33Å; E1488-R1509 IonicContact OE1-CZ 3.65Å; E1488-R1509 IonicContact OE1-NH1 2.97Å; E1488-R1509 IonicContact OE1-NH2 2.85Å; E1488-R1509 PolarHBondContact OE1-NH2 3.42Å; E1488-R1509 IonicContact OE2-CZ 2.94Å; E1488-R1509 IonicContact OE2-NH1 3.93Å; E1488-R1509 PolarHBondContact OE2-NH1 3.32Å; E1488-R1509 IonicContact OE2-NH2 3.45Å |
| 1489 | A | 86.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1485 L1486 E1487 E1491 V1492 K1493 W1506 V1530 | E1485-A1489 WeakPolarHBondContact O-CB 3.49Å; E1485-A1489 PolarHBondContact O-N 2.91Å; L1486-A1489 WeakPolarHBondContact O-CB 3.44Å; L1486-A1489 PolarHBondContact O-N 3.37Å; E1487-A1489 VanDerWaalsContact C-N 3.26Å; E1487-A1489 PolarHBondContact O-N 3.41Å; A1489-E1491 VanDerWaalsContact C-N 3.3Å; A1489-E1491 PolarHBondContact O-N 3.13Å; A1489-V1492 PolarHBondContact O-N 3.1Å; A1489-K1493 PolarHBondContact O-N 2.76Å; A1489-K1493 VanDerWaalsContact O-N 3.08Å; A1489-W1506 HydrophobicContact CB-CH2 4.32Å; A1489-V1530 HydrophobicContact CB-CG2 3.5Å; A1489-V1530 VanDerWaalsContact CB-CG2 3.5Å |
| 1490 | I | 87.4 | Confident | 83.3 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.1 | -44.3 | 171.3 | -66.3 | 166.7 | 0 | 0 | 0 | 109.9 | I1439 F1444 A1447 I1451 L1486 E1487 K1493 R1494 | I1439-I1490 HydrophobicContact CD1-CD1 4.1Å; I1439-I1490 HydrophobicContact CD1-CG1 3.78Å; I1439-I1490 HydrophobicContact CG1-CD1 4.13Å; I1439-I1490 HydrophobicContact CG1-CG1 3.7Å; F1444-I1490 HydrophobicContact CB-CG2 4Å; F1444-I1490 HydrophobicContact CD1-CB 4.44Å; F1444-I1490 HydrophobicContact CD1-CG1 4.29Å; F1444-I1490 HydrophobicContact CD1-CG2 3.76Å; F1444-I1490 HydrophobicContact CG-CG2 4.05Å; A1447-I1490 HydrophobicContact CB-CD1 3.98Å; I1451-I1490 HydrophobicContact CD1-CD1 3.91Å; L1486-I1490 WeakPolarHBondContact O-CG1 3.49Å; L1486-I1490 PolarHBondContact O-N 2.98Å; L1486-I1490 VanDerWaalsContact O-N 3.13Å; E1487-I1490 WeakPolarHBondContact O-CB 3.37Å; E1487-I1490 PolarHBondContact O-N 3.05Å; I1490-K1493 PolarHBondContact O-N 2.99Å; I1490-R1494 WeakPolarHBondContact O-CG 3.29Å; I1490-R1494 PolarHBondContact O-N 3.38Å |
| 1491 | E | 79.8 | Confident | 82.7 | Confident | 47 Ų | 47 | 49.4 Ų | 49.4 | 22% | 0.22 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.5 | -44.3 | 177.8 | -80.5 | -158.9 | 176.5 | 0 | 0 | 113.3 | K746 E1487 E1488 A1489 K1493 R1494 M1495 K1498 | K746-E1491 WeakPolarHBondContact CE-OE1 3.36Å; K746-E1491 VanDerWaalsContact CE-OE2 3.29Å; K746-E1491 WeakPolarHBondContact CE-OE2 3.32Å; K746-E1491 IonicContact NZ-OE1 2.83Å; K746-E1491 PolarHBondContact NZ-OE1 2.95Å; K746-E1491 IonicContact NZ-OE2 3.36Å; E1487-E1491 PolarHBondContact O-N 3.42Å; E1488-E1491 WeakPolarHBondContact O-CB 3.41Å; E1488-E1491 PolarHBondContact O-N 3.48Å; A1489-E1491 VanDerWaalsContact C-N 3.3Å; A1489-E1491 PolarHBondContact O-N 3.13Å; E1491-K1493 VanDerWaalsContact C-N 3.3Å; E1491-K1493 PolarHBondContact O-N 3.45Å; E1491-R1494 PolarHBondContact O-N 3.24Å; E1491-M1495 PolarHBondContact O-N 2.98Å; E1491-K1498 IonicContact OE2-NZ 2.73Å; E1491-K1498 PolarHBondContact OE2-NZ 3.43Å |
| 1492 | V | 81.9 | Confident | 82.2 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 178.6 | 180 | 0 | 0 | 0 | 0 | 110.8 | E1488 A1489 R1494 M1495 R1499 I1502 V1530 | E1488-V1492 WeakPolarHBondContact O-CG2 3.31Å; E1488-V1492 PolarHBondContact O-N 2.99Å; A1489-V1492 PolarHBondContact O-N 3.1Å; V1492-R1494 VanDerWaalsContact C-N 3.32Å; V1492-R1494 PolarHBondContact O-N 3.17Å; V1492-M1495 CarbonylContact O-C 3.57Å; V1492-M1495 PolarHBondContact O-N 2.89Å; V1492-R1499 HydrophobicContact CG1-CB 3.98Å; V1492-R1499 HydrophobicContact CG1-CG 4.08Å; V1492-I1502 HydrophobicContact CG2-CB 3.98Å; V1492-I1502 HydrophobicContact CG2-CD1 3.33Å; V1492-I1502 HydrophobicContact CG2-CG1 4.19Å; V1492-I1502 HydrophobicContact CG2-CG2 3.94Å; V1492-V1530 HydrophobicContact CB-CG1 3.72Å; V1492-V1530 HydrophobicContact CG1-CG1 3.33Å; V1492-V1530 HydrophobicContact CG2-CG1 4.34Å |
| 1493 | K | 82.3 | Confident | 81.7 | Confident | 64 Ų | 64 | 50 Ų | 50 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.9 | -31.4 | 176.9 | -76.8 | -166.1 | 178.3 | -173.8 | 0 | 112.5 | I1439 F1444 A1489 I1490 E1491 L1529 | I1439-K1493 HydrophobicContact CG2-CD 4.06Å; I1439-K1493 PolarHBondContact O-NZ 2.93Å; F1444-K1493 HydrophobicContact CE1-CB 4.2Å; F1444-K1493 HydrophobicContact CZ-CB 4.3Å; A1489-K1493 PolarHBondContact O-N 2.76Å; A1489-K1493 VanDerWaalsContact O-N 3.08Å; I1490-K1493 PolarHBondContact O-N 2.99Å; E1491-K1493 VanDerWaalsContact C-N 3.3Å; E1491-K1493 PolarHBondContact O-N 3.45Å; K1493-L1529 WeakPolarHBondContact CE-O 3.25Å |
| 1494 | R | 80.7 | Confident | 81.1 | Confident | 162 Ų | 162 | 56.9 Ų | 56.9 | 61% | 0.611 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -76.1 | -42.6 | 173 | -76.5 | -178.1 | 170.4 | -173.7 | -2.7 | 112.8 | F1444 I1490 E1491 V1492 | F1444-R1494 HydrophobicContact CD2-CG 4.38Å; F1444-R1494 HydrophobicContact CE2-CG 4.27Å; I1490-R1494 WeakPolarHBondContact O-CG 3.29Å; I1490-R1494 PolarHBondContact O-N 3.38Å; E1491-R1494 PolarHBondContact O-N 3.24Å; V1492-R1494 VanDerWaalsContact C-N 3.32Å; V1492-R1494 PolarHBondContact O-N 3.17Å |
| 1495 | M | 73.1 | Confident | 80.7 | Confident | 115 Ų | 115 | 57.2 Ų | 57.2 | 57% | 0.567 | 26% | 0.264 | S | S | * | . | trans | -127.9 | 89.8 | -173.5 | -68.7 | -163.1 | 179 | 0 | 0 | 111.7 | E1491 V1492 K1497 K1498 | E1491-M1495 PolarHBondContact O-N 2.98Å; V1492-M1495 CarbonylContact O-C 3.57Å; V1492-M1495 PolarHBondContact O-N 2.89Å; M1495-K1497 PolarHBondContact O-N 3.03Å; M1495-K1498 PolarHBondContact O-N 3.3Å; M1495-K1498 VanDerWaalsContact O-N 3.1Å | ||
| 1496 | P | 75 | Confident | 80.5 | Confident | 96 Ų | 96 | 57.2 Ų | 57.2 | 62% | 0.623 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -61.9 | -18.9 | -176.7 | 19 | -29.4 | 0 | 0 | 0 | 114.1 | K1498 R1499 | P1496-K1498 VanDerWaalsContact C-N 3.26Å; P1496-K1498 PolarHBondContact O-N 3.34Å; P1496-R1499 WeakPolarHBondContact O-CB 3.38Å; P1496-R1499 PolarHBondContact O-N 3.42Å |
| 1497 | K | 71.5 | Confident | 80 | Confident | 195 Ų | 195 | 58.3 Ų | 58.3 | 85% | 0.848 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -62.5 | -27.6 | 175.6 | -65.7 | -177.5 | -178.7 | 177.5 | 0 | 113.5 | M1495 R1499 | M1495-K1497 PolarHBondContact O-N 3.03Å; K1497-R1499 VanDerWaalsContact C-N 3.3Å |
| 1498 | K | 70.9 | Confident | 79.6 | Confident | 39 Ų | 39 | 62.6 Ų | 62.6 | 17% | 0.17 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -80.2 | -8.5 | 178.3 | -69.9 | -164.4 | -177.3 | -174 | 0 | 113.5 | N747 E1491 M1495 P1496 H1500 L1501 I1502 | N747-K1498 PolarHBondContact OD1-NZ 3.46Å; E1491-K1498 IonicContact OE2-NZ 2.73Å; E1491-K1498 PolarHBondContact OE2-NZ 3.43Å; M1495-K1498 PolarHBondContact O-N 3.3Å; M1495-K1498 VanDerWaalsContact O-N 3.1Å; P1496-K1498 VanDerWaalsContact C-N 3.26Å; P1496-K1498 PolarHBondContact O-N 3.34Å; K1498-H1500 VanDerWaalsContact C-N 3.3Å; K1498-H1500 PolarHBondContact O-N 3.02Å; K1498-L1501 PolarHBondContact O-N 3.48Å; K1498-L1501 VanDerWaalsContact O-N 3.12Å; K1498-I1502 HydrophobicContact CB-CD1 4.04Å; K1498-I1502 PolarHBondContact O-N 3.06Å |
| 1499 | R | 80.3 | Confident | 79.5 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -51.9 | -44 | -175.4 | -170 | 174.6 | -175 | 95.9 | -1.3 | 112.8 | V1492 P1496 K1497 S1503 V1530 F1531 E1535 | V1492-R1499 HydrophobicContact CG1-CB 3.98Å; V1492-R1499 HydrophobicContact CG1-CG 4.08Å; P1496-R1499 WeakPolarHBondContact O-CB 3.38Å; P1496-R1499 PolarHBondContact O-N 3.42Å; K1497-R1499 VanDerWaalsContact C-N 3.3Å; R1499-S1503 WeakPolarHBondContact O-CB 3.46Å; R1499-S1503 PolarHBondContact O-N 3.4Å; R1499-V1530 VanDerWaalsContact CZ-O 3.24Å; R1499-V1530 PolarHBondContact NH1-O 3Å; R1499-V1530 PolarHBondContact NH2-O 3.25Å; R1499-F1531 HydrophobicContact CB-CE1 4.43Å; R1499-F1531 HydrophobicContact CG-CD1 4.13Å; R1499-F1531 HydrophobicContact CG-CE1 3.37Å; R1499-F1531 HydrophobicContact CG-CZ 4.04Å; R1499-F1531 WeakPolarHBondContact O-CE1 3.47Å; R1499-F1531 WeakPolarHBondContact O-CZ 3.34Å; R1499-E1535 IonicContact CZ-OE1 3.8Å; R1499-E1535 IonicContact CZ-OE2 2.56Å; R1499-E1535 IonicContact NE-OE1 3.66Å; R1499-E1535 PolarHBondContact NE-OE1 3.47Å; R1499-E1535 IonicContact NE-OE2 3.38Å; R1499-E1535 PolarHBondContact NE-OE2 2.96Å; R1499-E1535 IonicContact NH2-OE1 2.77Å; R1499-E1535 PolarHBondContact NH2-OE1 3.49Å; R1499-E1535 IonicContact NH2-OE2 3.59Å; R1499-E1535 PolarHBondContact NH2-OE2 3.3Å |
| 1500 | H | 77.5 | Confident | 79.3 | Confident | 143 Ų | 143 | 62.8 Ų | 62.8 | 66% | 0.662 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -73.6 | -33.6 | -177.6 | -148.2 | -22.1 | 0 | 0 | 0 | 113.7 | K1498 K1504 | K1498-H1500 VanDerWaalsContact C-N 3.3Å; K1498-H1500 PolarHBondContact O-N 3.02Å; H1500-K1504 PolarHBondContact O-N 3.48Å |
| 1501 | L | 76 | Confident | 78.8 | Confident | 62 Ų | 62 | 66.8 Ų | 66.8 | 33% | 0.325 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.9 | -50.3 | 175.9 | -179.5 | 69.7 | 0 | 0 | 0 | 110 | A698 K1498 S1503 K1504 V1505 | A698-L1501 HydrophobicContact CB-CD1 4.27Å; K1498-L1501 PolarHBondContact O-N 3.48Å; K1498-L1501 VanDerWaalsContact O-N 3.12Å; L1501-S1503 VanDerWaalsContact C-N 3.33Å; L1501-S1503 PolarHBondContact O-N 2.94Å; L1501-K1504 PolarHBondContact O-N 3.33Å; L1501-K1504 VanDerWaalsContact O-N 3.12Å; L1501-V1505 HydrophobicContact CG-CG2 4.46Å; L1501-V1505 WeakPolarHBondContact O-CG2 3.36Å; L1501-V1505 PolarHBondContact O-N 3.41Å |
| 1502 | I | 79.6 | Confident | 78.6 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 5% | 0.051 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -37.2 | -177.3 | -69.2 | 173.8 | 0 | 0 | 0 | 111.1 | E1488 V1492 K1498 K1504 V1505 W1506 F1531 | E1488-I1502 HydrophobicContact CB-CD1 4.49Å; V1492-I1502 HydrophobicContact CG2-CB 3.98Å; V1492-I1502 HydrophobicContact CG2-CD1 3.33Å; V1492-I1502 HydrophobicContact CG2-CG1 4.19Å; V1492-I1502 HydrophobicContact CG2-CG2 3.94Å; K1498-I1502 HydrophobicContact CB-CD1 4.04Å; K1498-I1502 PolarHBondContact O-N 3.06Å; I1502-K1504 VanDerWaalsContact C-N 3.34Å; I1502-K1504 PolarHBondContact O-N 2.93Å; I1502-V1505 PolarHBondContact O-N 3.43Å; I1502-W1506 HydrophobicContact CG2-CD2 3.77Å; I1502-W1506 VanDerWaalsContact CG2-CE2 3.45Å; I1502-W1506 HydrophobicContact CG2-CE3 4.37Å; I1502-W1506 HydrophobicContact CG2-CG 4.1Å; I1502-W1506 HydrophobicContact CG2-CZ2 3.86Å; I1502-W1506 WeakPolarHBondContact O-CB 3.34Å; I1502-W1506 PolarHBondContact O-N 2.82Å; I1502-F1531 HydrophobicContact CG2-CE2 4.32Å; I1502-F1531 HydrophobicContact CG2-CZ 4.32Å |
| 1503 | S | 80.6 | Confident | 78.5 | Confident | 16 Ų | 16 | 66 Ų | 66 | 11% | 0.112 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.8 | -43.8 | 171.8 | 165.5 | 0 | 0 | 0 | 0 | 112.8 | R1499 L1501 S1507 | R1499-S1503 WeakPolarHBondContact O-CB 3.46Å; R1499-S1503 PolarHBondContact O-N 3.4Å; L1501-S1503 VanDerWaalsContact C-N 3.33Å; L1501-S1503 PolarHBondContact O-N 2.94Å; S1503-S1507 VanDerWaalsContact O-CB 3.31Å; S1503-S1507 WeakPolarHBondContact O-CB 3.4Å; S1503-S1507 PolarHBondContact O-N 3.34Å; S1503-S1507 PolarHBondContact O-OG 2.85Å |
| 1504 | K | 78.4 | Confident | 78.2 | Confident | 146 Ų | 146 | 63.1 Ų | 63.1 | 64% | 0.635 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.2 | -40.9 | 174.9 | -82.2 | -174.6 | 176.3 | 178.3 | 0 | 112.3 | H1500 L1501 I1502 S1507 K1508 | H1500-K1504 PolarHBondContact O-N 3.48Å; L1501-K1504 PolarHBondContact O-N 3.33Å; L1501-K1504 VanDerWaalsContact O-N 3.12Å; I1502-K1504 VanDerWaalsContact C-N 3.34Å; I1502-K1504 PolarHBondContact O-N 2.93Å; K1504-S1507 PolarHBondContact O-N 3.45Å; K1504-K1508 PolarHBondContact O-N 3.09Å |
| 1505 | V | 79.6 | Confident | 78.1 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.7 | -54.8 | 177.5 | 168.3 | 0 | 0 | 0 | 0 | 109.7 | L751 L1501 I1502 S1507 K1508 R1509 | L751-V1505 HydrophobicContact CD1-CB 3.98Å; L751-V1505 HydrophobicContact CD1-CG1 3.64Å; L751-V1505 HydrophobicContact CD1-CG2 4.37Å; L751-V1505 WeakPolarHBondContact CD1-O 3.45Å; L751-V1505 HydrophobicContact CD2-CG1 3.94Å; L751-V1505 HydrophobicContact CG-CG1 4.07Å; L1501-V1505 HydrophobicContact CG-CG2 4.46Å; L1501-V1505 WeakPolarHBondContact O-CG2 3.36Å; L1501-V1505 PolarHBondContact O-N 3.41Å; I1502-V1505 PolarHBondContact O-N 3.43Å; V1505-S1507 VanDerWaalsContact C-N 3.28Å; V1505-S1507 PolarHBondContact O-N 3.14Å; V1505-K1508 PolarHBondContact O-N 3.17Å; V1505-K1508 VanDerWaalsContact O-N 3.08Å; V1505-R1509 WeakPolarHBondContact O-CB 3.3Å; V1505-R1509 PolarHBondContact O-N 3.17Å |
| 1506 | W | 85 | Confident | 78.3 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.5 | -38.4 | 178.4 | -72.4 | 1.7 | 0 | 0 | 0 | 113.1 | E1485 E1488 A1489 I1502 L1510 R1527 V1530 F1531 | E1485-W1506 HydrophobicContact CB-CZ2 4.07Å; E1485-W1506 HydrophobicContact CG-CZ2 4.41Å; E1485-W1506 WeakPolarHBondContact O-CZ2 3.25Å; E1488-W1506 HydrophobicContact CB-CZ2 4.08Å; E1488-W1506 PolarHBondContact OE2-NE1 3.33Å; A1489-W1506 HydrophobicContact CB-CH2 4.32Å; I1502-W1506 HydrophobicContact CG2-CD2 3.77Å; I1502-W1506 VanDerWaalsContact CG2-CE2 3.45Å; I1502-W1506 HydrophobicContact CG2-CE3 4.37Å; I1502-W1506 HydrophobicContact CG2-CG 4.1Å; I1502-W1506 HydrophobicContact CG2-CZ2 3.86Å; I1502-W1506 WeakPolarHBondContact O-CB 3.34Å; I1502-W1506 PolarHBondContact O-N 2.82Å; W1506-L1510 WeakPolarHBondContact O-CB 3.45Å; W1506-L1510 PolarHBondContact O-N 3.01Å; W1506-L1510 VanDerWaalsContact O-N 3.07Å; W1506-R1527 HydrophobicContact CD2-CG 4.09Å; W1506-R1527 HydrophobicContact CE3-CB 3.81Å; W1506-R1527 HydrophobicContact CE3-CG 3.39Å; W1506-R1527 HydrophobicContact CH2-CG 4.36Å; W1506-R1527 HydrophobicContact CZ3-CB 3.62Å; W1506-R1527 HydrophobicContact CZ3-CG 3.52Å; W1506-R1527 VanDerWaalsContact O-CZ 3.32Å; W1506-R1527 PolarHBondContact O-NH1 3.33Å; W1506-R1527 PolarHBondContact O-NH2 3.47Å; W1506-V1530 HydrophobicContact CH2-CG2 4.48Å; W1506-F1531 HydrophobicContact CD2-CE2 4.35Å; W1506-F1531 AromaticContact CE3-CD2 3.7Å; W1506-F1531 HydrophobicContact CE3-CD2 3.7Å; W1506-F1531 AromaticContact CE3-CE2 3.45Å; W1506-F1531 HydrophobicContact CE3-CE2 3.45Å; W1506-F1531 VanDerWaalsContact CE3-CE2 3.45Å; W1506-F1531 HydrophobicContact CH2-CD2 4.37Å; W1506-F1531 HydrophobicContact CH2-CE2 4.01Å; W1506-F1531 AromaticContact CZ3-CD2 3.39Å; W1506-F1531 HydrophobicContact CZ3-CD2 3.39Å; W1506-F1531 AromaticContact CZ3-CE2 3.28Å; W1506-F1531 HydrophobicContact CZ3-CE2 3.28Å |
| 1507 | S | 80.4 | Confident | 78.5 | Confident | 23 Ų | 23 | 50 Ų | 50 | 16% | 0.161 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.7 | -31.7 | 177.3 | -62.5 | 0 | 0 | 0 | 0 | 113.4 | S1503 K1504 V1505 Q1511 T1539 | S1503-S1507 VanDerWaalsContact O-CB 3.31Å; S1503-S1507 WeakPolarHBondContact O-CB 3.4Å; S1503-S1507 PolarHBondContact O-N 3.34Å; S1503-S1507 PolarHBondContact O-OG 2.85Å; K1504-S1507 PolarHBondContact O-N 3.45Å; V1505-S1507 VanDerWaalsContact C-N 3.28Å; V1505-S1507 PolarHBondContact O-N 3.14Å; S1507-Q1511 WeakPolarHBondContact O-CG 3.35Å; S1507-Q1511 PolarHBondContact O-NE2 3.47Å; S1507-T1539 PolarHBondContact OG-OG1 2.99Å |
| 1508 | K | 78.4 | Confident | 78.9 | Confident | 96 Ų | 96 | 43.4 Ų | 43.4 | 42% | 0.417 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -75.9 | -49.3 | 171.2 | -89.1 | -169.6 | 171.1 | -163.2 | 0 | 111.4 | L751 E753 K1504 V1505 L1510 Q1511 | L751-K1508 HydrophobicContact CD1-CB 3.58Å; E753-K1508 IonicContact OE1-NZ 3.19Å; K1504-K1508 PolarHBondContact O-N 3.09Å; V1505-K1508 PolarHBondContact O-N 3.17Å; V1505-K1508 VanDerWaalsContact O-N 3.08Å; K1508-L1510 PolarHBondContact O-N 3.38Å; K1508-Q1511 WeakPolarHBondContact O-CB 3.17Å; K1508-Q1511 PolarHBondContact O-N 3.13Å |
| 1509 | R | 83.3 | Confident | 79.4 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.1 | -38.6 | -178.7 | -163.1 | -175.5 | -74.5 | 143.8 | -3.3 | 111.8 | L751 L787 E1485 E1488 V1505 Q1511 D1512 C1513 | L751-R1509 HydrophobicContact CD1-CB 4.24Å; L751-R1509 HydrophobicContact CD2-CB 3.94Å; L751-R1509 HydrophobicContact CD2-CG 4.03Å; L787-R1509 VanDerWaalsContact O-CZ 3.32Å; L787-R1509 PolarHBondContact O-NE 3.18Å; L787-R1509 PolarHBondContact O-NH2 3.04Å; E1485-R1509 IonicContact OE1-NH1 3.21Å; E1488-R1509 IonicContact OE1-CZ 3.65Å; E1488-R1509 IonicContact OE1-NH1 2.97Å; E1488-R1509 IonicContact OE1-NH2 2.85Å; E1488-R1509 PolarHBondContact OE1-NH2 3.42Å; E1488-R1509 IonicContact OE2-CZ 2.94Å; E1488-R1509 IonicContact OE2-NH1 3.93Å; E1488-R1509 PolarHBondContact OE2-NH1 3.32Å; E1488-R1509 IonicContact OE2-NH2 3.45Å; V1505-R1509 WeakPolarHBondContact O-CB 3.3Å; V1505-R1509 PolarHBondContact O-N 3.17Å; R1509-Q1511 VanDerWaalsContact C-N 3.34Å; R1509-Q1511 PolarHBondContact O-N 2.97Å; R1509-D1512 PolarHBondContact O-N 3.08Å; R1509-C1513 PolarHBondContact O-N 2.97Å |
| 1510 | L | 83 | Confident | 79.7 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.2 | -27.9 | 177.2 | -161.4 | 72.7 | 0 | 0 | 0 | 114 | W1506 K1508 D1512 C1513 W1520 L1523 T1539 | W1506-L1510 WeakPolarHBondContact O-CB 3.45Å; W1506-L1510 PolarHBondContact O-N 3.01Å; W1506-L1510 VanDerWaalsContact O-N 3.07Å; K1508-L1510 PolarHBondContact O-N 3.38Å; L1510-D1512 VanDerWaalsContact C-N 3.27Å; L1510-D1512 PolarHBondContact O-N 3.35Å; L1510-C1513 WeakPolarHBondContact O-CB 3.36Å; L1510-C1513 PolarHBondContact O-N 3.02Å; L1510-W1520 HydrophobicContact CD1-CD2 4.17Å; L1510-W1520 HydrophobicContact CD1-CG 4.21Å; L1510-W1520 HydrophobicContact CD2-CD2 3.79Å; L1510-W1520 HydrophobicContact CD2-CE3 3.49Å; L1510-W1520 VanDerWaalsContact CD2-CE3 3.49Å; L1510-W1520 HydrophobicContact CD2-CH2 4.04Å; L1510-W1520 HydrophobicContact CD2-CZ2 4.3Å; L1510-W1520 HydrophobicContact CD2-CZ3 3.63Å; L1510-W1520 HydrophobicContact CG-CD2 3.87Å; L1510-W1520 HydrophobicContact CG-CE3 4.06Å; L1510-W1520 HydrophobicContact CG-CG 4.43Å; L1510-W1520 HydrophobicContact CG-CH2 4.15Å; L1510-W1520 HydrophobicContact CG-CZ2 3.95Å; L1510-W1520 HydrophobicContact CG-CZ3 4.2Å; L1510-W1520 VanDerWaalsContact O-CZ2 3.28Å; L1510-W1520 WeakPolarHBondContact O-CZ2 3.3Å; L1510-L1523 HydrophobicContact CD1-CB 4.02Å; L1510-L1523 HydrophobicContact CD1-CD1 3.55Å; L1510-L1523 HydrophobicContact CD1-CG 4.43Å; L1510-T1539 HydrophobicContact CD2-CG2 3.36Å |
| 1511 | Q | 78.1 | Confident | 80.1 | Confident | 92 Ų | 92 | 33.5 Ų | 33.5 | 43% | 0.43 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -73.8 | -21.7 | -179.8 | -69.2 | 173.8 | 45.5 | 0 | 0 | 112.9 | K795 S1507 K1508 R1509 | K795-Q1511 PolarHBondContact NZ-O 3.41Å; S1507-Q1511 WeakPolarHBondContact O-CG 3.35Å; S1507-Q1511 PolarHBondContact O-NE2 3.47Å; K1508-Q1511 WeakPolarHBondContact O-CB 3.17Å; K1508-Q1511 PolarHBondContact O-N 3.13Å; R1509-Q1511 VanDerWaalsContact C-N 3.34Å; R1509-Q1511 PolarHBondContact O-N 2.97Å |
| 1512 | D | 75.5 | Confident | 80.5 | Confident | 29 Ų | 29 | 34 Ų | 34 | 16% | 0.155 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -93.1 | -12.8 | 176.4 | -67.8 | -41.2 | 0 | 0 | 0 | 113.5 | M752 D792 K795 R1509 L1510 | M752-D1512 HydrophobicContact CG-CB 4.46Å; D792-D1512 PolarHBondContact N-O 3.29Å; K795-D1512 IonicContact NZ-OD1 3.11Å; K795-D1512 PolarHBondContact NZ-OD1 3.4Å; R1509-D1512 PolarHBondContact O-N 3.08Å; L1510-D1512 VanDerWaalsContact C-N 3.27Å; L1510-D1512 PolarHBondContact O-N 3.35Å |
| 1513 | C | 79.8 | Confident | 80.8 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -69.4 | 151.4 | 167.3 | -162.5 | 0 | 0 | 0 | 0 | 111 | A790 Y1474 R1509 L1510 S1515 | A790-C1513 WeakPolarHBondContact O-CA 3.34Å; Y1474-C1513 PolarHBondContact OH-SG 3.2Å; R1509-C1513 PolarHBondContact O-N 2.97Å; L1510-C1513 WeakPolarHBondContact O-CB 3.36Å; L1510-C1513 PolarHBondContact O-N 3.02Å; C1513-S1515 PolarHBondContact O-N 3.28Å |
| 1514 | Q | 76.4 | Confident | 81.1 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | trans | -55.3 | 136.9 | 176.3 | -174.1 | 172.2 | -33.1 | 0 | 0 | 109.3 | D792 Y1474 T1516 W1520 R2019 | D792-Q1514 HydrophobicContact CB-CB 4.49Å; Y1474-Q1514 HydrophobicContact CE1-CB 3.59Å; Y1474-Q1514 HydrophobicContact CE1-CG 4.4Å; Y1474-Q1514 WeakPolarHBondContact OH-CB 3.2Å; Y1474-Q1514 PolarHBondContact OH-N 3.32Å; Q1514-T1516 WeakPolarHBondContact CG-OG1 3.45Å; Q1514-T1516 PolarHBondContact O-N 3.28Å; Q1514-W1520 PolarHBondContact O-NE1 3.27Å; Q1514-R2019 VanDerWaalsContact CG-NH2 3.3Å | ||
| 1515 | S | 77.2 | Confident | 81.4 | Confident | 51 Ų | 51 | 27.1 Ų | 27.1 | 36% | 0.357 | 14% | 0.135 | S | C | . | . | trans | -79.8 | 65.1 | -180 | 65.5 | 0 | 0 | 0 | 0 | 110.4 | C1513 L1546 R2019 | C1513-S1515 PolarHBondContact O-N 3.28Å; S1515-L1546 VanDerWaalsContact O-CD2 3.31Å; S1515-L1546 WeakPolarHBondContact O-CD2 3.38Å; S1515-R2019 PolarHBondContact OG-NH1 3.49Å | ||
| 1516 | T | 77.4 | Confident | 81.7 | Confident | 39 Ų | 39 | 26.7 Ų | 26.7 | 24% | 0.239 | 13% | 0.133 | C | C | . | . | trans | -110.7 | 134.8 | 175.4 | 3.4 | 0 | 0 | 0 | 0 | 109.4 | Q1514 E1518 D1519 W1520 | Q1514-T1516 WeakPolarHBondContact CG-OG1 3.45Å; Q1514-T1516 PolarHBondContact O-N 3.28Å; T1516-E1518 VanDerWaalsContact C-N 3.32Å; T1516-E1518 PolarHBondContact O-N 3.12Å; T1516-D1519 VanDerWaalsContact CB-OD2 3.23Å; T1516-D1519 WeakPolarHBondContact CB-OD2 3.5Å; T1516-D1519 PolarHBondContact OG1-OD2 3.11Å; T1516-W1520 PolarHBondContact O-N 2.62Å | ||
| 1517 | V | 80.5 | Confident | 81.9 | Confident | 9 Ų | 9 | 26.8 Ų | 26.8 | 6% | 0.055 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.9 | -36.6 | -173.9 | 177.5 | 0 | 0 | 0 | 0 | 111.7 | Q1521 Y1543 L1546 K1552 M1555 | V1517-Q1521 WeakPolarHBondContact O-CB 3.41Å; V1517-Q1521 PolarHBondContact O-N 2.64Å; V1517-Y1543 HydrophobicContact CG1-CE2 3.89Å; V1517-Y1543 WeakPolarHBondContact CG1-OH 3.38Å; V1517-Y1543 WeakPolarHBondContact O-CE2 3.09Å; V1517-L1546 HydrophobicContact CG2-CD2 4.2Å; V1517-K1552 HydrophobicContact CG1-CD 4.31Å; V1517-M1555 HydrophobicContact CG1-SD 4.19Å |
| 1518 | E | 78.6 | Confident | 82.1 | Confident | 55 Ų | 55 | 28.6 Ų | 28.6 | 26% | 0.257 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -70.8 | -46.9 | -176.1 | -68.5 | 162.9 | -162.5 | 0 | 0 | 111.6 | W1343 T1516 W1520 Q1521 R1522 K1552 | W1343-E1518 PolarHBondContact NE1-OE1 3.17Å; T1516-E1518 VanDerWaalsContact C-N 3.32Å; T1516-E1518 PolarHBondContact O-N 3.12Å; E1518-W1520 VanDerWaalsContact C-N 3.34Å; E1518-W1520 PolarHBondContact O-N 3.44Å; E1518-Q1521 WeakPolarHBondContact O-CB 3.35Å; E1518-Q1521 PolarHBondContact O-N 3.39Å; E1518-R1522 PolarHBondContact O-N 3.22Å; E1518-K1552 IonicContact OE1-NZ 3.19Å |
| 1519 | D | 81.9 | Confident | 82.3 | Confident | 18 Ų | 18 | 24.7 Ų | 24.7 | 10% | 0.096 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.5 | -56.8 | -36.9 | 0 | 0 | 0 | 111.6 | V1478 T1516 Q1521 R1522 L1523 | V1478-D1519 HydrophobicContact CG1-CB 4.47Å; T1516-D1519 VanDerWaalsContact CB-OD2 3.23Å; T1516-D1519 WeakPolarHBondContact CB-OD2 3.5Å; T1516-D1519 PolarHBondContact OG1-OD2 3.11Å; D1519-Q1521 VanDerWaalsContact C-N 3.32Å; D1519-Q1521 PolarHBondContact O-N 3.11Å; D1519-R1522 PolarHBondContact O-N 3.27Å; D1519-L1523 WeakPolarHBondContact O-CB 3.5Å; D1519-L1523 WeakPolarHBondContact O-CG 3.43Å; D1519-L1523 PolarHBondContact O-N 3.2Å |
| 1520 | W | 86.5 | Confident | 82.3 | Confident | 13 Ų | 13 | 25.1 Ų | 25.1 | 5% | 0.049 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.4 | -37.1 | 177.2 | -79.3 | 45.7 | 0 | 0 | 0 | 111.7 | L1510 Q1514 T1516 E1518 L1523 L1524 K1542 Y1543 L1546 | L1510-W1520 HydrophobicContact CD1-CD2 4.17Å; L1510-W1520 HydrophobicContact CD1-CG 4.21Å; L1510-W1520 HydrophobicContact CD2-CD2 3.79Å; L1510-W1520 HydrophobicContact CD2-CE3 3.49Å; L1510-W1520 VanDerWaalsContact CD2-CE3 3.49Å; L1510-W1520 HydrophobicContact CD2-CH2 4.04Å; L1510-W1520 HydrophobicContact CD2-CZ2 4.3Å; L1510-W1520 HydrophobicContact CD2-CZ3 3.63Å; L1510-W1520 HydrophobicContact CG-CD2 3.87Å; L1510-W1520 HydrophobicContact CG-CE3 4.06Å; L1510-W1520 HydrophobicContact CG-CG 4.43Å; L1510-W1520 HydrophobicContact CG-CH2 4.15Å; L1510-W1520 HydrophobicContact CG-CZ2 3.95Å; L1510-W1520 HydrophobicContact CG-CZ3 4.2Å; L1510-W1520 VanDerWaalsContact O-CZ2 3.28Å; L1510-W1520 WeakPolarHBondContact O-CZ2 3.3Å; Q1514-W1520 PolarHBondContact O-NE1 3.27Å; T1516-W1520 PolarHBondContact O-N 2.62Å; E1518-W1520 VanDerWaalsContact C-N 3.34Å; E1518-W1520 PolarHBondContact O-N 3.44Å; W1520-L1523 PolarHBondContact O-N 3.31Å; W1520-L1524 VanDerWaalsContact O-CB 3.23Å; W1520-L1524 WeakPolarHBondContact O-CB 3.5Å; W1520-L1524 WeakPolarHBondContact O-CD1 3.33Å; W1520-L1524 WeakPolarHBondContact O-CG 3.47Å; W1520-L1524 PolarHBondContact O-N 3.39Å; W1520-K1542 HydrophobicContact CH2-CB 4.4Å; W1520-K1542 HydrophobicContact CZ3-CB 4.07Å; W1520-Y1543 HydrophobicContact CB-CD2 3.65Å; W1520-Y1543 HydrophobicContact CB-CE2 3.77Å; W1520-Y1543 HydrophobicContact CD2-CD2 4.49Å; W1520-Y1543 AromaticContact CE3-CD2 3.99Å; W1520-Y1543 HydrophobicContact CE3-CD2 3.99Å; W1520-Y1543 HydrophobicContact CE3-CG 4.49Å; W1520-Y1543 HydrophobicContact CG-CD2 4.43Å; W1520-L1546 HydrophobicContact CD2-CD1 3.85Å; W1520-L1546 HydrophobicContact CE3-CD1 3.9Å; W1520-L1546 HydrophobicContact CH2-CD1 3.76Å; W1520-L1546 HydrophobicContact CZ2-CD1 3.69Å; W1520-L1546 HydrophobicContact CZ3-CD1 3.86Å |
| 1521 | Q | 85.6 | Confident | 82.3 | Confident | 22 Ų | 22 | 25.4 Ų | 25.4 | 10% | 0.103 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 176.3 | -174 | 176.9 | -13.4 | 0 | 0 | 111.5 | E1372 V1517 E1518 D1519 L1524 Q1525 | E1372-Q1521 PolarHBondContact O-NE2 2.98Å; V1517-Q1521 WeakPolarHBondContact O-CB 3.41Å; V1517-Q1521 PolarHBondContact O-N 2.64Å; E1518-Q1521 WeakPolarHBondContact O-CB 3.35Å; E1518-Q1521 PolarHBondContact O-N 3.39Å; D1519-Q1521 VanDerWaalsContact C-N 3.32Å; D1519-Q1521 PolarHBondContact O-N 3.11Å; Q1521-L1524 PolarHBondContact O-N 2.94Å; Q1521-Q1525 PolarHBondContact O-N 3.2Å |
| 1522 | R | 84.4 | Confident | 82.4 | Confident | 73 Ų | 73 | 26.8 Ų | 26.8 | 28% | 0.275 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 176.3 | -69.5 | 179.9 | -178.7 | 166.5 | 3.2 | 111.7 | E1475 M1482 E1518 D1519 Q1525 V1526 | E1475-R1522 IonicContact OE1-CZ 2.74Å; E1475-R1522 IonicContact OE1-NH1 3.83Å; E1475-R1522 PolarHBondContact OE1-NH1 3.45Å; E1475-R1522 IonicContact OE1-NH2 2.88Å; M1482-R1522 HydrophobicContact CE-CB 4.08Å; M1482-R1522 HydrophobicContact SD-CB 4.02Å; E1518-R1522 PolarHBondContact O-N 3.22Å; D1519-R1522 PolarHBondContact O-N 3.27Å; R1522-Q1525 PolarHBondContact O-N 3.26Å; R1522-V1526 PolarHBondContact O-N 2.99Å |
| 1523 | L | 86.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.4 | -44.8 | 177.2 | -73.7 | 166.6 | 0 | 0 | 0 | 111.6 | V1478 Q1481 M1482 L1510 D1519 W1520 Q1525 V1526 R1527 | V1478-L1523 HydrophobicContact CG1-CD1 4.4Å; V1478-L1523 HydrophobicContact CG1-CG 4.35Å; Q1481-L1523 HydrophobicContact CG-CD2 4.15Å; M1482-L1523 HydrophobicContact CG-CD2 3.66Å; M1482-L1523 HydrophobicContact CG-CG 4.42Å; L1510-L1523 HydrophobicContact CD1-CB 4.02Å; L1510-L1523 HydrophobicContact CD1-CD1 3.55Å; L1510-L1523 HydrophobicContact CD1-CG 4.43Å; D1519-L1523 WeakPolarHBondContact O-CB 3.5Å; D1519-L1523 WeakPolarHBondContact O-CG 3.43Å; D1519-L1523 PolarHBondContact O-N 3.2Å; W1520-L1523 PolarHBondContact O-N 3.31Å; L1523-Q1525 VanDerWaalsContact C-N 3.29Å; L1523-Q1525 PolarHBondContact O-N 3.3Å; L1523-V1526 WeakPolarHBondContact O-CB 3.4Å; L1523-V1526 PolarHBondContact O-N 3.27Å; L1523-V1526 VanDerWaalsContact O-N 3.17Å; L1523-R1527 VanDerWaalsContact O-CG 3.26Å; L1523-R1527 WeakPolarHBondContact O-CG 3.48Å; L1523-R1527 PolarHBondContact O-N 2.89Å; L1523-R1527 VanDerWaalsContact O-N 3.11Å |
| 1524 | L | 86 | Confident | 82.3 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.4 | -33.3 | 178.2 | -73 | 169.3 | 0 | 0 | 0 | 112.5 | W1520 Q1521 R1527 S1528 T1539 W1540 Y1543 | W1520-L1524 VanDerWaalsContact O-CB 3.23Å; W1520-L1524 WeakPolarHBondContact O-CB 3.5Å; W1520-L1524 WeakPolarHBondContact O-CD1 3.33Å; W1520-L1524 WeakPolarHBondContact O-CG 3.47Å; W1520-L1524 PolarHBondContact O-N 3.39Å; Q1521-L1524 PolarHBondContact O-N 2.94Å; L1524-R1527 PolarHBondContact O-N 2.86Å; L1524-S1528 PolarHBondContact O-N 3.4Å; L1524-T1539 HydrophobicContact CD2-CG2 4.3Å; L1524-W1540 HydrophobicContact CB-CH2 3.87Å; L1524-W1540 HydrophobicContact CB-CZ2 4.04Å; L1524-W1540 HydrophobicContact CB-CZ3 4.41Å; L1524-W1540 HydrophobicContact CD1-CD2 4.37Å; L1524-W1540 HydrophobicContact CD1-CE3 4Å; L1524-W1540 HydrophobicContact CD1-CH2 4.2Å; L1524-W1540 HydrophobicContact CD1-CZ3 3.91Å; L1524-W1540 HydrophobicContact CD2-CD2 4.35Å; L1524-W1540 HydrophobicContact CD2-CZ2 4.15Å; L1524-W1540 HydrophobicContact CG-CH2 4.44Å; L1524-W1540 HydrophobicContact CG-CZ2 4.48Å; L1524-Y1543 HydrophobicContact CD1-CD1 3.94Å; L1524-Y1543 HydrophobicContact CD1-CD2 3.9Å; L1524-Y1543 HydrophobicContact CD1-CE1 4.44Å; L1524-Y1543 HydrophobicContact CD1-CE2 4.39Å; L1524-Y1543 HydrophobicContact CD1-CG 3.64Å |
| 1525 | Q | 84.1 | Confident | 82.3 | Confident | 24 Ų | 24 | 36.5 Ų | 36.5 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 171.4 | -84.4 | -174.8 | -27.2 | 0 | 0 | 112 | W1408 Q1521 R1522 L1523 R1527 S1528 | W1408-Q1525 HydrophobicContact CD2-CB 4.43Å; W1408-Q1525 HydrophobicContact CE3-CB 4.26Å; W1408-Q1525 HydrophobicContact CH2-CB 3.72Å; W1408-Q1525 HydrophobicContact CZ2-CB 3.87Å; W1408-Q1525 WeakPolarHBondContact CZ2-O 3.22Å; W1408-Q1525 HydrophobicContact CZ3-CB 3.91Å; Q1521-Q1525 PolarHBondContact O-N 3.2Å; R1522-Q1525 PolarHBondContact O-N 3.26Å; L1523-Q1525 VanDerWaalsContact C-N 3.29Å; L1523-Q1525 PolarHBondContact O-N 3.3Å; Q1525-R1527 PolarHBondContact O-N 3.41Å; Q1525-S1528 WeakPolarHBondContact O-CB 3.44Å; Q1525-S1528 PolarHBondContact O-N 3.15Å; Q1525-S1528 VanDerWaalsContact O-N 3.17Å; Q1525-S1528 PolarHBondContact O-OG 3.5Å |
| 1526 | V | 87.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.9 | -43.3 | 174.6 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | W1408 F1432 M1482 E1485 L1486 R1522 L1523 S1528 L1529 | W1408-V1526 HydrophobicContact CH2-CB 4.47Å; W1408-V1526 HydrophobicContact CH2-CG2 3.82Å; F1432-V1526 HydrophobicContact CZ-CG2 3.98Å; M1482-V1526 HydrophobicContact CB-CG2 4.2Å; M1482-V1526 HydrophobicContact CE-CG2 3.81Å; M1482-V1526 HydrophobicContact CG-CG2 4.16Å; E1485-V1526 HydrophobicContact CB-CG1 4.02Å; L1486-V1526 HydrophobicContact CG-CG1 4.2Å; R1522-V1526 PolarHBondContact O-N 2.99Å; L1523-V1526 WeakPolarHBondContact O-CB 3.4Å; L1523-V1526 PolarHBondContact O-N 3.27Å; L1523-V1526 VanDerWaalsContact O-N 3.17Å; V1526-S1528 VanDerWaalsContact C-N 3.31Å; V1526-S1528 PolarHBondContact O-N 3.36Å; V1526-L1529 VanDerWaalsContact O-CB 3.29Å; V1526-L1529 WeakPolarHBondContact O-CB 3.21Å; V1526-L1529 WeakPolarHBondContact O-CG 3.27Å; V1526-L1529 PolarHBondContact O-N 3Å |
| 1527 | R | 88.5 | Confident | 82.5 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.6 | -29.6 | -177 | -59.6 | 173.3 | -178 | -165.3 | -5.8 | 113.4 | E1485 W1506 L1523 L1524 Q1525 L1529 V1530 F1531 M1536 | E1485-R1527 IonicContact OE1-CZ 3.37Å; E1485-R1527 IonicContact OE1-NE 3.66Å; E1485-R1527 IonicContact OE1-NH2 2.68Å; E1485-R1527 PolarHBondContact OE1-NH2 3.18Å; E1485-R1527 WeakPolarHBondContact OE2-CG 3.45Å; E1485-R1527 IonicContact OE2-CZ 3.39Å; E1485-R1527 IonicContact OE2-NE 3.88Å; E1485-R1527 PolarHBondContact OE2-NE 2.93Å; E1485-R1527 IonicContact OE2-NH2 2.97Å; W1506-R1527 HydrophobicContact CD2-CG 4.09Å; W1506-R1527 HydrophobicContact CE3-CB 3.81Å; W1506-R1527 HydrophobicContact CE3-CG 3.39Å; W1506-R1527 HydrophobicContact CH2-CG 4.36Å; W1506-R1527 HydrophobicContact CZ3-CB 3.62Å; W1506-R1527 HydrophobicContact CZ3-CG 3.52Å; W1506-R1527 VanDerWaalsContact O-CZ 3.32Å; W1506-R1527 PolarHBondContact O-NH1 3.33Å; W1506-R1527 PolarHBondContact O-NH2 3.47Å; L1523-R1527 VanDerWaalsContact O-CG 3.26Å; L1523-R1527 WeakPolarHBondContact O-CG 3.48Å; L1523-R1527 PolarHBondContact O-N 2.89Å; L1523-R1527 VanDerWaalsContact O-N 3.11Å; L1524-R1527 PolarHBondContact O-N 2.86Å; Q1525-R1527 PolarHBondContact O-N 3.41Å; R1527-L1529 PolarHBondContact O-N 3.31Å; R1527-V1530 PolarHBondContact O-N 3.28Å; R1527-V1530 VanDerWaalsContact O-N 3.14Å; R1527-F1531 PolarHBondContact O-N 2.82Å; R1527-M1536 HydrophobicContact CB-CE 3.73Å; R1527-M1536 HydrophobicContact CG-CE 4.37Å |
| 1528 | S | 84.5 | Confident | 82.5 | Confident | 61 Ų | 61 | 39.3 Ų | 39.3 | 43% | 0.427 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.8 | -16.4 | 176.4 | 75.2 | 0 | 0 | 0 | 0 | 113.8 | L1524 Q1525 V1526 V1530 | L1524-S1528 PolarHBondContact O-N 3.4Å; Q1525-S1528 WeakPolarHBondContact O-CB 3.44Å; Q1525-S1528 PolarHBondContact O-N 3.15Å; Q1525-S1528 VanDerWaalsContact O-N 3.17Å; Q1525-S1528 PolarHBondContact O-OG 3.5Å; V1526-S1528 VanDerWaalsContact C-N 3.31Å; V1526-S1528 PolarHBondContact O-N 3.36Å; S1528-V1530 PolarHBondContact O-N 3.49Å |
| 1529 | L | 84 | Confident | 82.8 | Confident | 15 Ų | 15 | 37.1 Ų | 37.1 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20.1 | 172.3 | -69.6 | 166.7 | 0 | 0 | 0 | 113.5 | W1408 W1413 V1436 L1486 K1493 V1526 R1527 | W1408-L1529 HydrophobicContact CZ2-CD1 3.9Å; W1408-L1529 HydrophobicContact CZ2-CD2 4.46Å; W1408-L1529 HydrophobicContact CZ2-CG 4.02Å; W1413-L1529 HydrophobicContact CH2-CD2 3.56Å; W1413-L1529 HydrophobicContact CZ2-CD2 4.42Å; W1413-L1529 HydrophobicContact CZ3-CD2 4.28Å; V1436-L1529 HydrophobicContact CG1-CD1 4.04Å; V1436-L1529 HydrophobicContact CG1-CD2 3.86Å; V1436-L1529 HydrophobicContact CG2-CD1 4.33Å; L1486-L1529 HydrophobicContact CD2-CD1 4.21Å; K1493-L1529 WeakPolarHBondContact CE-O 3.25Å; V1526-L1529 VanDerWaalsContact O-CB 3.29Å; V1526-L1529 WeakPolarHBondContact O-CB 3.21Å; V1526-L1529 WeakPolarHBondContact O-CG 3.27Å; V1526-L1529 PolarHBondContact O-N 3Å; R1527-L1529 PolarHBondContact O-N 3.31Å |
| 1530 | V | 82.8 | Confident | 83 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | -44.9 | -171.5 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | A1489 V1492 R1499 W1506 R1527 S1528 | A1489-V1530 HydrophobicContact CB-CG2 3.5Å; A1489-V1530 VanDerWaalsContact CB-CG2 3.5Å; V1492-V1530 HydrophobicContact CB-CG1 3.72Å; V1492-V1530 HydrophobicContact CG1-CG1 3.33Å; V1492-V1530 HydrophobicContact CG2-CG1 4.34Å; R1499-V1530 VanDerWaalsContact CZ-O 3.24Å; R1499-V1530 PolarHBondContact NH1-O 3Å; R1499-V1530 PolarHBondContact NH2-O 3.25Å; W1506-V1530 HydrophobicContact CH2-CG2 4.48Å; R1527-V1530 PolarHBondContact O-N 3.28Å; R1527-V1530 VanDerWaalsContact O-N 3.14Å; S1528-V1530 PolarHBondContact O-N 3.49Å |
| 1531 | F | 83.1 | Confident | 82.9 | Confident | 7 Ų | 7 | 38.9 Ų | 38.9 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | trans | -109.8 | 138.6 | -174.1 | -61.6 | -86.3 | 0 | 0 | 0 | 111.4 | R1499 I1502 W1506 R1527 E1535 M1536 | R1499-F1531 HydrophobicContact CB-CE1 4.43Å; R1499-F1531 HydrophobicContact CG-CD1 4.13Å; R1499-F1531 HydrophobicContact CG-CE1 3.37Å; R1499-F1531 HydrophobicContact CG-CZ 4.04Å; R1499-F1531 WeakPolarHBondContact O-CE1 3.47Å; R1499-F1531 WeakPolarHBondContact O-CZ 3.34Å; I1502-F1531 HydrophobicContact CG2-CE2 4.32Å; I1502-F1531 HydrophobicContact CG2-CZ 4.32Å; W1506-F1531 HydrophobicContact CD2-CE2 4.35Å; W1506-F1531 AromaticContact CE3-CD2 3.7Å; W1506-F1531 HydrophobicContact CE3-CD2 3.7Å; W1506-F1531 AromaticContact CE3-CE2 3.45Å; W1506-F1531 HydrophobicContact CE3-CE2 3.45Å; W1506-F1531 VanDerWaalsContact CE3-CE2 3.45Å; W1506-F1531 HydrophobicContact CH2-CD2 4.37Å; W1506-F1531 HydrophobicContact CH2-CE2 4.01Å; W1506-F1531 AromaticContact CZ3-CD2 3.39Å; W1506-F1531 HydrophobicContact CZ3-CD2 3.39Å; W1506-F1531 AromaticContact CZ3-CE2 3.28Å; W1506-F1531 HydrophobicContact CZ3-CE2 3.28Å; R1527-F1531 PolarHBondContact O-N 2.82Å; F1531-E1535 WeakPolarHBondContact CA-OE2 3.42Å; F1531-E1535 HydrophobicContact CD1-CB 4.47Å; F1531-E1535 WeakPolarHBondContact CD1-OE2 3.46Å; F1531-M1536 HydrophobicContact CB-CE 4.08Å; F1531-M1536 HydrophobicContact CD2-CE 4.36Å; F1531-M1536 HydrophobicContact CG-CE 4.39Å | ||
| 1532 | E | 79.1 | Confident | 82.8 | Confident | 121 Ų | 121 | 42.3 Ų | 42.3 | 57% | 0.565 | 21% | 0.208 | S | C | * | . | trans | -79.5 | 154.1 | 170.3 | -65.5 | -155.5 | 167.9 | 0 | 0 | 111 | H1534 E1535 | E1532-H1534 PolarHBondContact O-N 3.03Å; E1532-H1534 IonicContact OE2-CD2 3.55Å; E1532-H1534 PolarHBondContact OE2-CD2 3.3Å; E1532-H1534 IonicContact OE2-NE2 2.8Å; E1532-E1535 PolarHBondContact N-OE2 3.34Å; E1532-E1535 PolarHBondContact O-N 2.86Å | ||
| 1533 | P | 76.2 | Confident | 82.9 | Confident | 38 Ų | 38 | 39.1 Ų | 39.1 | 25% | 0.247 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -53.8 | -31.6 | -178 | -26.6 | 34.9 | 0 | 0 | 0 | 113.9 | E1535 M1536 L1537 L1563 | P1533-E1535 VanDerWaalsContact C-N 3.35Å; P1533-E1535 PolarHBondContact O-N 3.49Å; P1533-M1536 CarbonylContact O-C 3.51Å; P1533-M1536 PolarHBondContact O-N 2.82Å; P1533-L1537 PolarHBondContact O-N 3.38Å; P1533-L1563 HydrophobicContact CB-CD2 3.73Å |
| 1534 | H | 77.6 | Confident | 82.8 | Confident | 110 Ų | 110 | 39.1 Ų | 39.1 | 51% | 0.509 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -65.6 | -32.8 | 179.7 | -34.5 | -59.6 | 0 | 0 | 0 | 113.1 | E1532 M1536 | E1532-H1534 PolarHBondContact O-N 3.03Å; E1532-H1534 IonicContact OE2-CD2 3.55Å; E1532-H1534 PolarHBondContact OE2-CD2 3.3Å; E1532-H1534 IonicContact OE2-NE2 2.8Å; H1534-M1536 VanDerWaalsContact C-N 3.31Å; H1534-M1536 PolarHBondContact O-N 3.4Å |
| 1535 | E | 75.7 | Confident | 82.7 | Confident | 95 Ų | 95 | 40.4 Ų | 40.4 | 44% | 0.444 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -76.7 | -17 | -179.3 | -69.6 | 179.8 | 138.9 | 0 | 0 | 113 | R1499 F1531 E1532 P1533 | R1499-E1535 IonicContact CZ-OE1 3.8Å; R1499-E1535 IonicContact CZ-OE2 2.56Å; R1499-E1535 IonicContact NE-OE1 3.66Å; R1499-E1535 PolarHBondContact NE-OE1 3.47Å; R1499-E1535 IonicContact NE-OE2 3.38Å; R1499-E1535 PolarHBondContact NE-OE2 2.96Å; R1499-E1535 IonicContact NH2-OE1 2.77Å; R1499-E1535 PolarHBondContact NH2-OE1 3.49Å; R1499-E1535 IonicContact NH2-OE2 3.59Å; R1499-E1535 PolarHBondContact NH2-OE2 3.3Å; F1531-E1535 WeakPolarHBondContact CA-OE2 3.42Å; F1531-E1535 HydrophobicContact CD1-CB 4.47Å; F1531-E1535 WeakPolarHBondContact CD1-OE2 3.46Å; E1532-E1535 PolarHBondContact N-OE2 3.34Å; E1532-E1535 PolarHBondContact O-N 2.86Å; P1533-E1535 VanDerWaalsContact C-N 3.35Å; P1533-E1535 PolarHBondContact O-N 3.49Å |
| 1536 | M | 80.1 | Confident | 82.7 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -126.2 | 42.3 | 178.7 | -72.2 | -156.3 | -68 | 0 | 0 | 112.4 | R1527 F1531 P1533 H1534 D1538 T1539 W1540 | R1527-M1536 HydrophobicContact CB-CE 3.73Å; R1527-M1536 HydrophobicContact CG-CE 4.37Å; F1531-M1536 HydrophobicContact CB-CE 4.08Å; F1531-M1536 HydrophobicContact CD2-CE 4.36Å; F1531-M1536 HydrophobicContact CG-CE 4.39Å; P1533-M1536 CarbonylContact O-C 3.51Å; P1533-M1536 PolarHBondContact O-N 2.82Å; H1534-M1536 VanDerWaalsContact C-N 3.31Å; H1534-M1536 PolarHBondContact O-N 3.4Å; M1536-D1538 VanDerWaalsContact C-N 3.34Å; M1536-D1538 PolarHBondContact O-N 3.09Å; M1536-T1539 WeakPolarHBondContact O-CB 3.47Å; M1536-T1539 PolarHBondContact O-N 3.29Å; M1536-W1540 PolarHBondContact O-N 3.08Å |
| 1537 | L | 79.2 | Confident | 82.4 | Confident | 41 Ų | 41 | 40.5 Ų | 40.5 | 22% | 0.215 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -48.1 | -48.7 | -178.2 | -103.4 | 157.4 | 0 | 0 | 0 | 113.7 | P1533 T1539 W1540 I1541 L1583 | P1533-L1537 PolarHBondContact O-N 3.38Å; L1537-T1539 PolarHBondContact O-N 3.38Å; L1537-W1540 PolarHBondContact O-N 2.96Å; L1537-I1541 HydrophobicContact CD2-CD1 4.04Å; L1537-I1541 WeakPolarHBondContact O-CB 3.35Å; L1537-I1541 VanDerWaalsContact O-CG1 3.22Å; L1537-I1541 WeakPolarHBondContact O-CG1 3.47Å; L1537-I1541 PolarHBondContact O-N 3.08Å; L1537-L1583 HydrophobicContact CD2-CD1 3.56Å |
| 1538 | D | 80.8 | Confident | 82.1 | Confident | 111 Ų | 111 | 42.2 Ų | 42.2 | 59% | 0.594 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -58.4 | -36 | -179.1 | -77.4 | -21.8 | 0 | 0 | 0 | 113.2 | M1536 K1542 | M1536-D1538 VanDerWaalsContact C-N 3.34Å; M1536-D1538 PolarHBondContact O-N 3.09Å; D1538-K1542 WeakPolarHBondContact O-CB 3.37Å; D1538-K1542 PolarHBondContact O-N 2.99Å |
| 1539 | T | 85 | Confident | 81.7 | Confident | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.049 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -74.7 | -43.9 | -175.7 | -42.7 | 0 | 0 | 0 | 0 | 110.6 | S1507 L1510 L1524 M1536 L1537 K1542 Y1543 | S1507-T1539 PolarHBondContact OG-OG1 2.99Å; L1510-T1539 HydrophobicContact CD2-CG2 3.36Å; L1524-T1539 HydrophobicContact CD2-CG2 4.3Å; M1536-T1539 WeakPolarHBondContact O-CB 3.47Å; M1536-T1539 PolarHBondContact O-N 3.29Å; L1537-T1539 PolarHBondContact O-N 3.38Å; T1539-K1542 PolarHBondContact O-N 2.68Å; T1539-Y1543 PolarHBondContact O-N 3.21Å |
| 1540 | W | 85.5 | Confident | 81.1 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.5 | -35.3 | 174.8 | -72.3 | 102.3 | 0 | 0 | 0 | 112.8 | L1524 M1536 L1537 Y1543 A1544 T1559 L1563 | L1524-W1540 HydrophobicContact CB-CH2 3.87Å; L1524-W1540 HydrophobicContact CB-CZ2 4.04Å; L1524-W1540 HydrophobicContact CB-CZ3 4.41Å; L1524-W1540 HydrophobicContact CD1-CD2 4.37Å; L1524-W1540 HydrophobicContact CD1-CE3 4Å; L1524-W1540 HydrophobicContact CD1-CH2 4.2Å; L1524-W1540 HydrophobicContact CD1-CZ3 3.91Å; L1524-W1540 HydrophobicContact CD2-CD2 4.35Å; L1524-W1540 HydrophobicContact CD2-CZ2 4.15Å; L1524-W1540 HydrophobicContact CG-CH2 4.44Å; L1524-W1540 HydrophobicContact CG-CZ2 4.48Å; M1536-W1540 PolarHBondContact O-N 3.08Å; L1537-W1540 PolarHBondContact O-N 2.96Å; W1540-Y1543 HydrophobicContact CE3-CD1 4.21Å; W1540-Y1543 HydrophobicContact CZ3-CD1 4.39Å; W1540-Y1543 WeakPolarHBondContact O-CB 3.43Å; W1540-Y1543 PolarHBondContact O-N 3.27Å; W1540-A1544 WeakPolarHBondContact O-CB 3.46Å; W1540-A1544 PolarHBondContact O-N 3.46Å; W1540-T1559 HydrophobicContact CE3-CG2 3.7Å; W1540-T1559 HydrophobicContact CZ3-CG2 4.27Å; W1540-L1563 HydrophobicContact CB-CD1 3.79Å; W1540-L1563 HydrophobicContact CB-CD2 4.11Å; W1540-L1563 HydrophobicContact CB-CG 4.49Å; W1540-L1563 HydrophobicContact CG-CD2 4.38Å |
| 1541 | I | 84.5 | Confident | 80.6 | Confident | 21 Ų | 21 | 51 Ų | 51 | 11% | 0.108 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 173.7 | -68.3 | 169.7 | 0 | 0 | 0 | 111 | L1537 A1544 S1545 I1582 L1583 A1586 | L1537-I1541 HydrophobicContact CD2-CD1 4.04Å; L1537-I1541 WeakPolarHBondContact O-CB 3.35Å; L1537-I1541 VanDerWaalsContact O-CG1 3.22Å; L1537-I1541 WeakPolarHBondContact O-CG1 3.47Å; L1537-I1541 PolarHBondContact O-N 3.08Å; I1541-A1544 PolarHBondContact O-N 3.36Å; I1541-S1545 WeakPolarHBondContact O-CB 3.24Å; I1541-S1545 PolarHBondContact O-N 3.4Å; I1541-I1582 HydrophobicContact CD1-CB 4.43Å; I1541-I1582 HydrophobicContact CD1-CG2 3.76Å; I1541-L1583 HydrophobicContact CD1-CD1 3.77Å; I1541-L1583 HydrophobicContact CG1-CD1 3.72Å; I1541-A1586 HydrophobicContact CG2-CB 3.86Å |
| 1542 | K | 84 | Confident | 80.3 | Confident | 94 Ų | 94 | 52.3 Ų | 52.3 | 41% | 0.409 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 172.2 | -92 | 175.4 | 176.6 | 174.1 | 0 | 111.3 | W1520 D1538 T1539 S1545 L1546 | W1520-K1542 HydrophobicContact CH2-CB 4.4Å; W1520-K1542 HydrophobicContact CZ3-CB 4.07Å; D1538-K1542 WeakPolarHBondContact O-CB 3.37Å; D1538-K1542 PolarHBondContact O-N 2.99Å; T1539-K1542 PolarHBondContact O-N 2.68Å; K1542-S1545 CarbonylContact O-C 3.56Å; K1542-S1545 WeakPolarHBondContact O-CB 3.34Å; K1542-S1545 PolarHBondContact O-N 3.45Å; K1542-S1545 VanDerWaalsContact O-N 3.15Å; K1542-L1546 WeakPolarHBondContact O-CB 3.49Å; K1542-L1546 PolarHBondContact O-N 3.4Å |
| 1543 | Y | 86.2 | Confident | 80.2 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 2% | 0.02 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.1 | -48.4 | 175.5 | 178.6 | -112.1 | 0 | 0 | 0 | 111.7 | V1517 W1520 L1524 T1539 W1540 S1545 L1546 C1547 M1555 T1559 | V1517-Y1543 HydrophobicContact CG1-CE2 3.89Å; V1517-Y1543 WeakPolarHBondContact CG1-OH 3.38Å; V1517-Y1543 WeakPolarHBondContact O-CE2 3.09Å; W1520-Y1543 HydrophobicContact CB-CD2 3.65Å; W1520-Y1543 HydrophobicContact CB-CE2 3.77Å; W1520-Y1543 HydrophobicContact CD2-CD2 4.49Å; W1520-Y1543 AromaticContact CE3-CD2 3.99Å; W1520-Y1543 HydrophobicContact CE3-CD2 3.99Å; W1520-Y1543 HydrophobicContact CE3-CG 4.49Å; W1520-Y1543 HydrophobicContact CG-CD2 4.43Å; L1524-Y1543 HydrophobicContact CD1-CD1 3.94Å; L1524-Y1543 HydrophobicContact CD1-CD2 3.9Å; L1524-Y1543 HydrophobicContact CD1-CE1 4.44Å; L1524-Y1543 HydrophobicContact CD1-CE2 4.39Å; L1524-Y1543 HydrophobicContact CD1-CG 3.64Å; T1539-Y1543 PolarHBondContact O-N 3.21Å; W1540-Y1543 HydrophobicContact CE3-CD1 4.21Å; W1540-Y1543 HydrophobicContact CZ3-CD1 4.39Å; W1540-Y1543 WeakPolarHBondContact O-CB 3.43Å; W1540-Y1543 PolarHBondContact O-N 3.27Å; Y1543-S1545 VanDerWaalsContact C-N 3.29Å; Y1543-S1545 PolarHBondContact O-N 2.99Å; Y1543-L1546 WeakPolarHBondContact O-CA 3.21Å; Y1543-L1546 WeakPolarHBondContact O-CB 3.44Å; Y1543-L1546 PolarHBondContact O-N 3.14Å; Y1543-C1547 PolarHBondContact O-N 3.06Å; Y1543-C1547 PolarHBondContact O-SG 2.95Å; Y1543-C1547 VanDerWaalsContact O-SG 3.33Å; Y1543-M1555 WeakPolarHBondContact OH-CE 3.33Å; Y1543-T1559 HydrophobicContact CD1-CG2 4.14Å |
| 1544 | A | 84.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.3 | -39.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W1540 I1541 L1546 R1548 S1556 T1559 L1560 | W1540-A1544 WeakPolarHBondContact O-CB 3.46Å; W1540-A1544 PolarHBondContact O-N 3.46Å; I1541-A1544 PolarHBondContact O-N 3.36Å; A1544-L1546 VanDerWaalsContact C-N 3.27Å; A1544-L1546 PolarHBondContact O-N 3.28Å; A1544-R1548 PolarHBondContact O-N 3.35Å; A1544-S1556 WeakPolarHBondContact O-CB 3.47Å; A1544-S1556 PolarHBondContact O-OG 3.13Å; A1544-T1559 HydrophobicContact CB-CG2 4.45Å; A1544-L1560 HydrophobicContact CB-CD1 4.39Å; A1544-L1560 HydrophobicContact CB-CD2 4.05Å; A1544-L1560 HydrophobicContact CB-CG 3.9Å |
| 1545 | S | 84.8 | Confident | 80.5 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 20% | 0.203 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.9 | -31 | 173 | -178.6 | 0 | 0 | 0 | 0 | 112.9 | I1541 K1542 Y1543 R1548 K1549 | I1541-S1545 WeakPolarHBondContact O-CB 3.24Å; I1541-S1545 PolarHBondContact O-N 3.4Å; K1542-S1545 CarbonylContact O-C 3.56Å; K1542-S1545 WeakPolarHBondContact O-CB 3.34Å; K1542-S1545 PolarHBondContact O-N 3.45Å; K1542-S1545 VanDerWaalsContact O-N 3.15Å; Y1543-S1545 VanDerWaalsContact C-N 3.29Å; Y1543-S1545 PolarHBondContact O-N 2.99Å; S1545-R1548 PolarHBondContact OG-NH2 3.02Å; S1545-K1549 WeakPolarHBondContact O-CG 3.46Å; S1545-K1549 PolarHBondContact O-N 3.49Å; S1545-K1549 VanDerWaalsContact O-N 3.1Å |
| 1546 | L | 82.7 | Confident | 80.8 | Confident | 25 Ų | 25 | 40.6 Ų | 40.6 | 13% | 0.131 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.1 | -48.9 | 178.8 | -134.4 | 154 | 0 | 0 | 0 | 109.7 | S1515 V1517 W1520 K1542 Y1543 A1544 R1548 K1549 S1550 | S1515-L1546 VanDerWaalsContact O-CD2 3.31Å; S1515-L1546 WeakPolarHBondContact O-CD2 3.38Å; V1517-L1546 HydrophobicContact CG2-CD2 4.2Å; W1520-L1546 HydrophobicContact CD2-CD1 3.85Å; W1520-L1546 HydrophobicContact CE3-CD1 3.9Å; W1520-L1546 HydrophobicContact CH2-CD1 3.76Å; W1520-L1546 HydrophobicContact CZ2-CD1 3.69Å; W1520-L1546 HydrophobicContact CZ3-CD1 3.86Å; K1542-L1546 WeakPolarHBondContact O-CB 3.49Å; K1542-L1546 PolarHBondContact O-N 3.4Å; Y1543-L1546 WeakPolarHBondContact O-CA 3.21Å; Y1543-L1546 WeakPolarHBondContact O-CB 3.44Å; Y1543-L1546 PolarHBondContact O-N 3.14Å; A1544-L1546 VanDerWaalsContact C-N 3.27Å; A1544-L1546 PolarHBondContact O-N 3.28Å; L1546-R1548 VanDerWaalsContact C-N 3.29Å; L1546-R1548 PolarHBondContact O-N 3.35Å; L1546-K1549 PolarHBondContact O-N 3.07Å; L1546-K1549 VanDerWaalsContact O-N 3.12Å; L1546-S1550 PolarHBondContact O-N 3Å; L1546-S1550 PolarHBondContact O-OG 3.44Å |
| 1547 | C | 81.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.7 | -42.7 | 173.1 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | Y1543 S1550 G1551 K1552 M1555 | Y1543-C1547 PolarHBondContact O-N 3.06Å; Y1543-C1547 PolarHBondContact O-SG 2.95Å; Y1543-C1547 VanDerWaalsContact O-SG 3.33Å; C1547-S1550 PolarHBondContact O-N 3.42Å; C1547-S1550 PolarHBondContact O-OG 3.07Å; C1547-G1551 PolarHBondContact O-N 2.92Å; C1547-K1552 HydrophobicContact CB-CB 4.42Å; C1547-K1552 CarbonylContact O-C 3.42Å; C1547-K1552 WeakPolarHBondContact O-CA 3.35Å; C1547-K1552 PolarHBondContact O-N 3.01Å; C1547-M1555 HydrophobicContact CB-CB 4.39Å |
| 1548 | R | 82.4 | Confident | 81 | Confident | 38 Ų | 38 | 45.5 Ų | 45.5 | 14% | 0.143 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -46.2 | 176.1 | -179.2 | -178.2 | 53.9 | -133 | -7.3 | 111.9 | A1544 S1545 L1546 S1550 G1551 A1586 S1593 | A1544-R1548 PolarHBondContact O-N 3.35Å; S1545-R1548 PolarHBondContact OG-NH2 3.02Å; L1546-R1548 VanDerWaalsContact C-N 3.29Å; L1546-R1548 PolarHBondContact O-N 3.35Å; R1548-S1550 VanDerWaalsContact C-N 3.27Å; R1548-S1550 PolarHBondContact O-N 3.07Å; R1548-G1551 PolarHBondContact O-N 3.14Å; R1548-G1551 VanDerWaalsContact O-N 3.17Å; R1548-A1586 PolarHBondContact NH1-O 3Å; R1548-S1593 WeakPolarHBondContact CD-OG 3.21Å |
| 1549 | K | 75.5 | Confident | 81 | Confident | 161 Ų | 161 | 41 Ų | 41 | 70% | 0.7 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -65.9 | -29.8 | 179.7 | -76.8 | -179.6 | 179.4 | -172.5 | 0 | 112.8 | S1545 L1546 G1551 | S1545-K1549 WeakPolarHBondContact O-CG 3.46Å; S1545-K1549 PolarHBondContact O-N 3.49Å; S1545-K1549 VanDerWaalsContact O-N 3.1Å; L1546-K1549 PolarHBondContact O-N 3.07Å; L1546-K1549 VanDerWaalsContact O-N 3.12Å; K1549-G1551 VanDerWaalsContact C-N 3.25Å; K1549-G1551 PolarHBondContact O-N 3.49Å |
| 1550 | S | 71 | Confident | 80.9 | Confident | 62 Ų | 62 | 40.7 Ų | 40.7 | 43% | 0.434 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 8 | 176.2 | 70.9 | 0 | 0 | 0 | 0 | 113.5 | L1546 C1547 R1548 K1552 | L1546-S1550 PolarHBondContact O-N 3Å; L1546-S1550 PolarHBondContact O-OG 3.44Å; C1547-S1550 PolarHBondContact O-N 3.42Å; C1547-S1550 PolarHBondContact O-OG 3.07Å; R1548-S1550 VanDerWaalsContact C-N 3.27Å; R1548-S1550 PolarHBondContact O-N 3.07Å; S1550-K1552 VanDerWaalsContact C-N 3.27Å; S1550-K1552 PolarHBondContact O-N 2.79Å |
| 1551 | G | 73.1 | Confident | 80.7 | Confident | 50 Ų | 50 | 39.4 Ų | 39.4 | 52% | 0.515 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | -4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | C1547 R1548 K1549 M1553 | C1547-G1551 PolarHBondContact O-N 2.92Å; R1548-G1551 PolarHBondContact O-N 3.14Å; R1548-G1551 VanDerWaalsContact O-N 3.17Å; K1549-G1551 VanDerWaalsContact C-N 3.25Å; K1549-G1551 PolarHBondContact O-N 3.49Å; G1551-M1553 PolarHBondContact O-N 3.04Å |
| 1552 | K | 75.6 | Confident | 80.5 | Confident | 34 Ų | 34 | 42.2 Ų | 42.2 | 15% | 0.148 | 23% | 0.228 | C | C | . | . | trans | -81 | 66.9 | 178.1 | -63.4 | -172 | -179.3 | -173.9 | 0 | 110.8 | V1517 E1518 C1547 S1550 A1554 M1555 S1556 | V1517-K1552 HydrophobicContact CG1-CD 4.31Å; E1518-K1552 IonicContact OE1-NZ 3.19Å; C1547-K1552 HydrophobicContact CB-CB 4.42Å; C1547-K1552 CarbonylContact O-C 3.42Å; C1547-K1552 WeakPolarHBondContact O-CA 3.35Å; C1547-K1552 PolarHBondContact O-N 3.01Å; S1550-K1552 VanDerWaalsContact C-N 3.27Å; S1550-K1552 PolarHBondContact O-N 2.79Å; K1552-A1554 PolarHBondContact O-N 3Å; K1552-M1555 HydrophobicContact CD-SD 4.35Å; K1552-M1555 PolarHBondContact O-N 3.23Å; K1552-S1556 PolarHBondContact O-N 3.45Å | ||
| 1553 | M | 78.8 | Confident | 80.2 | Confident | 64 Ų | 64 | 38.6 Ų | 38.6 | 32% | 0.315 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.2 | -44.3 | -175.5 | -60.6 | -95 | -171.6 | 0 | 0 | 111.9 | G1551 M1555 S1556 R1557 Q1590 S1593 E1594 | G1551-M1553 PolarHBondContact O-N 3.04Å; M1553-M1555 PolarHBondContact O-N 3.15Å; M1553-S1556 WeakPolarHBondContact O-CB 3.32Å; M1553-S1556 PolarHBondContact O-N 3.44Å; M1553-R1557 PolarHBondContact O-N 3.16Å; M1553-Q1590 PolarHBondContact O-NE2 3.14Å; M1553-S1593 WeakPolarHBondContact CE-O 3.18Å; M1553-E1594 HydrophobicContact SD-CG 4.14Å |
| 1554 | A | 78.5 | Confident | 79.7 | Confident | 43 Ų | 43 | 39.5 Ų | 39.5 | 36% | 0.355 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60 | -44.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | K1552 R1557 R1558 | K1552-A1554 PolarHBondContact O-N 3Å; A1554-R1557 PolarHBondContact O-N 3.32Å; A1554-R1558 PolarHBondContact O-N 3.17Å |
| 1555 | M | 80.3 | Confident | 79.1 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.059 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 175.8 | -82.9 | -166.3 | 89.4 | 0 | 0 | 112.5 | L1374 V1517 Y1543 C1547 K1552 M1553 R1557 R1558 T1559 | L1374-M1555 WeakPolarHBondContact O-CG 3.31Å; V1517-M1555 HydrophobicContact CG1-SD 4.19Å; Y1543-M1555 WeakPolarHBondContact OH-CE 3.33Å; C1547-M1555 HydrophobicContact CB-CB 4.39Å; K1552-M1555 HydrophobicContact CD-SD 4.35Å; K1552-M1555 PolarHBondContact O-N 3.23Å; M1553-M1555 PolarHBondContact O-N 3.15Å; M1555-R1557 VanDerWaalsContact C-N 3.31Å; M1555-R1557 PolarHBondContact O-N 3Å; M1555-R1558 PolarHBondContact O-N 2.74Å; M1555-T1559 WeakPolarHBondContact O-CB 3.26Å; M1555-T1559 PolarHBondContact O-N 3.03Å; M1555-T1559 PolarHBondContact O-OG1 3.29Å |
| 1556 | S | 82.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.2 | -49.1 | 176.5 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | A1544 K1552 M1553 T1559 L1560 Q1590 | A1544-S1556 WeakPolarHBondContact O-CB 3.47Å; A1544-S1556 PolarHBondContact O-OG 3.13Å; K1552-S1556 PolarHBondContact O-N 3.45Å; M1553-S1556 WeakPolarHBondContact O-CB 3.32Å; M1553-S1556 PolarHBondContact O-N 3.44Å; S1556-T1559 PolarHBondContact O-N 3.43Å; S1556-L1560 WeakPolarHBondContact O-CG 3.47Å; S1556-L1560 PolarHBondContact O-N 2.85Å; S1556-Q1590 PolarHBondContact OG-OE1 2.89Å |
| 1557 | R | 82.8 | Confident | 77.5 | Confident | 56 Ų | 56 | 46.4 Ų | 46.4 | 21% | 0.211 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60 | -50.3 | 178.1 | -178.7 | 177.8 | 162.4 | 162.5 | -2.2 | 111.7 | M1553 A1554 M1555 T1559 L1560 V1561 D1567 D1569 | M1553-R1557 PolarHBondContact O-N 3.16Å; A1554-R1557 PolarHBondContact O-N 3.32Å; M1555-R1557 VanDerWaalsContact C-N 3.31Å; M1555-R1557 PolarHBondContact O-N 3Å; R1557-T1559 VanDerWaalsContact C-N 3.27Å; R1557-T1559 PolarHBondContact O-N 3.12Å; R1557-L1560 PolarHBondContact O-N 3.25Å; R1557-L1560 VanDerWaalsContact O-N 3.13Å; R1557-V1561 HydrophobicContact CG-CG2 4.2Å; R1557-V1561 WeakPolarHBondContact O-CB 3.25Å; R1557-V1561 VanDerWaalsContact O-CG2 3.28Å; R1557-V1561 WeakPolarHBondContact O-CG2 3.42Å; R1557-V1561 PolarHBondContact O-N 3.21Å; R1557-D1567 IonicContact NH2-OD1 3.98Å; R1557-D1569 IonicContact CZ-OD2 2.94Å; R1557-D1569 IonicContact NH1-OD2 2.68Å; R1557-D1569 PolarHBondContact NH1-OD2 3.23Å; R1557-D1569 IonicContact NH2-OD2 3.36Å; R1557-D1569 PolarHBondContact NH2-OD2 3.11Å |
| 1558 | R | 80.2 | Confident | 76.7 | Confident | 94 Ų | 94 | 47.3 Ų | 47.3 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.7 | -42.4 | 178.5 | -118.4 | -173.9 | -80.6 | 134.4 | -5.4 | 112.1 | L1374 E1376 A1554 M1555 V1561 S1562 | L1374-R1558 PolarHBondContact O-NH1 3.44Å; L1374-R1558 VanDerWaalsContact O-NH1 3.15Å; E1376-R1558 IonicContact OE1-CZ 3.67Å; E1376-R1558 IonicContact OE1-NE 3.41Å; E1376-R1558 IonicContact OE1-NH1 3.79Å; E1376-R1558 IonicContact OE1-NH2 3.48Å; E1376-R1558 PolarHBondContact OE1-NH2 3.41Å; A1554-R1558 PolarHBondContact O-N 3.17Å; M1555-R1558 PolarHBondContact O-N 2.74Å; R1558-V1561 PolarHBondContact O-N 3.14Å; R1558-S1562 VanDerWaalsContact O-CB 3.29Å; R1558-S1562 WeakPolarHBondContact O-CB 3.42Å; R1558-S1562 PolarHBondContact O-N 3.06Å |
| 1559 | T | 82.1 | Confident | 76 | Confident | 17 Ų | 17 | 49 Ų | 49 | 10% | 0.104 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 178.1 | -49.8 | 0 | 0 | 0 | 0 | 110.8 | W1540 Y1543 A1544 M1555 S1556 R1557 S1562 L1563 | W1540-T1559 HydrophobicContact CE3-CG2 3.7Å; W1540-T1559 HydrophobicContact CZ3-CG2 4.27Å; Y1543-T1559 HydrophobicContact CD1-CG2 4.14Å; A1544-T1559 HydrophobicContact CB-CG2 4.45Å; M1555-T1559 WeakPolarHBondContact O-CB 3.26Å; M1555-T1559 PolarHBondContact O-N 3.03Å; M1555-T1559 PolarHBondContact O-OG1 3.29Å; S1556-T1559 PolarHBondContact O-N 3.43Å; R1557-T1559 VanDerWaalsContact C-N 3.27Å; R1557-T1559 PolarHBondContact O-N 3.12Å; T1559-S1562 PolarHBondContact O-N 3.28Å; T1559-L1563 HydrophobicContact CG2-CD1 4.4Å; T1559-L1563 VanDerWaalsContact O-CG 3.27Å; T1559-L1563 WeakPolarHBondContact O-CG 3.32Å; T1559-L1563 PolarHBondContact O-N 2.93Å |
| 1560 | L | 82.2 | Confident | 75.4 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67 | -39.8 | 178.3 | -70.6 | 166.8 | 0 | 0 | 0 | 112.4 | A1544 S1556 R1557 L1563 L1564 L1583 A1586 Y1587 Q1590 | A1544-L1560 HydrophobicContact CB-CD1 4.39Å; A1544-L1560 HydrophobicContact CB-CD2 4.05Å; A1544-L1560 HydrophobicContact CB-CG 3.9Å; S1556-L1560 WeakPolarHBondContact O-CG 3.47Å; S1556-L1560 PolarHBondContact O-N 2.85Å; R1557-L1560 PolarHBondContact O-N 3.25Å; R1557-L1560 VanDerWaalsContact O-N 3.13Å; L1560-L1563 PolarHBondContact O-N 3.34Å; L1560-L1564 WeakPolarHBondContact O-CB 3.09Å; L1560-L1564 WeakPolarHBondContact O-CG 3.5Å; L1560-L1564 PolarHBondContact O-N 3.45Å; L1560-L1583 HydrophobicContact CD2-CD1 4.47Å; L1560-A1586 HydrophobicContact CD2-CB 3.93Å; L1560-Y1587 HydrophobicContact CB-CD2 4.02Å; L1560-Y1587 HydrophobicContact CD1-CD2 4.25Å; L1560-Q1590 HydrophobicContact CD1-CB 3.93Å; L1560-Q1590 HydrophobicContact CD1-CG 4.24Å |
| 1561 | V | 81.7 | Confident | 74.6 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 12% | 0.121 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | R1557 R1558 L1563 L1564 G1565 D1567 Y1587 | R1557-V1561 HydrophobicContact CG-CG2 4.2Å; R1557-V1561 WeakPolarHBondContact O-CB 3.25Å; R1557-V1561 VanDerWaalsContact O-CG2 3.28Å; R1557-V1561 WeakPolarHBondContact O-CG2 3.42Å; R1557-V1561 PolarHBondContact O-N 3.21Å; R1558-V1561 PolarHBondContact O-N 3.14Å; V1561-L1563 VanDerWaalsContact C-N 3.27Å; V1561-L1563 PolarHBondContact O-N 3.01Å; V1561-L1564 PolarHBondContact O-N 3.07Å; V1561-L1564 VanDerWaalsContact O-N 3.13Å; V1561-G1565 PolarHBondContact O-N 2.97Å; V1561-D1567 HydrophobicContact CG1-CB 3.98Å; V1561-D1567 VanDerWaalsContact CG1-CG 3.49Å; V1561-D1567 VanDerWaalsContact CG2-OD1 3.26Å; V1561-D1567 WeakPolarHBondContact CG2-OD1 3.41Å; V1561-Y1587 HydrophobicContact CG2-CE2 4.39Å |
| 1562 | S | 79.6 | Confident | 73.6 | Confident | 80 Ų | 80 | 54.8 Ų | 54.8 | 56% | 0.559 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -56.8 | -41.4 | 173.4 | 169.8 | 0 | 0 | 0 | 0 | 111.9 | R1558 T1559 G1565 | R1558-S1562 VanDerWaalsContact O-CB 3.29Å; R1558-S1562 WeakPolarHBondContact O-CB 3.42Å; R1558-S1562 PolarHBondContact O-N 3.06Å; T1559-S1562 PolarHBondContact O-N 3.28Å; S1562-G1565 PolarHBondContact O-N 2.76Å |
| 1563 | L | 78.6 | Confident | 72.5 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.1 | -31.6 | 176.5 | -67 | 165.8 | 0 | 0 | 0 | 113.4 | P1533 W1540 T1559 L1560 V1561 G1565 L1583 | P1533-L1563 HydrophobicContact CB-CD2 3.73Å; W1540-L1563 HydrophobicContact CB-CD1 3.79Å; W1540-L1563 HydrophobicContact CB-CD2 4.11Å; W1540-L1563 HydrophobicContact CB-CG 4.49Å; W1540-L1563 HydrophobicContact CG-CD2 4.38Å; T1559-L1563 HydrophobicContact CG2-CD1 4.4Å; T1559-L1563 VanDerWaalsContact O-CG 3.27Å; T1559-L1563 WeakPolarHBondContact O-CG 3.32Å; T1559-L1563 PolarHBondContact O-N 2.93Å; L1560-L1563 PolarHBondContact O-N 3.34Å; V1561-L1563 VanDerWaalsContact C-N 3.27Å; V1561-L1563 PolarHBondContact O-N 3.01Å; L1563-G1565 VanDerWaalsContact C-N 3.34Å; L1563-L1583 HydrophobicContact CB-CD1 3.71Å; L1563-L1583 HydrophobicContact CB-CD2 3.81Å; L1563-L1583 HydrophobicContact CB-CG 4.37Å; L1563-L1583 HydrophobicContact CD1-CD1 3.74Å; L1563-L1583 HydrophobicContact CG-CD1 4.32Å |
| 1564 | L | 75.4 | Confident | 71.3 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 13% | 0.126 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -74.1 | -26.8 | 175.6 | -79.8 | 160.7 | 0 | 0 | 0 | 112 | L1560 V1561 V1566 P1568 L1576 P1577 L1583 Y1587 | L1560-L1564 WeakPolarHBondContact O-CB 3.09Å; L1560-L1564 WeakPolarHBondContact O-CG 3.5Å; L1560-L1564 PolarHBondContact O-N 3.45Å; V1561-L1564 PolarHBondContact O-N 3.07Å; V1561-L1564 VanDerWaalsContact O-N 3.13Å; L1564-V1566 PolarHBondContact O-N 2.96Å; L1564-P1568 HydrophobicContact CD1-CG 4.49Å; L1564-L1576 HydrophobicContact CD1-CD2 4.39Å; L1564-L1576 HydrophobicContact CD2-CD2 4.34Å; L1564-P1577 HydrophobicContact CD2-CG 3.79Å; L1564-L1583 HydrophobicContact CB-CD2 4.37Å; L1564-L1583 HydrophobicContact CD2-CD2 3.75Å; L1564-L1583 HydrophobicContact CG-CD2 3.62Å; L1564-Y1587 HydrophobicContact CD1-CD2 3.87Å; L1564-Y1587 HydrophobicContact CD1-CE2 4.23Å; L1564-Y1587 HydrophobicContact CD1-CG 4.22Å |
| 1565 | G | 71.1 | Confident | 70.4 | Confident | 66 Ų | 66 | 62.8 Ų | 62.8 | 68% | 0.68 | 35% | 0.351 | S | S | * | . | S | Bend | trans | 75.5 | -7.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1561 S1562 L1563 | V1561-G1565 PolarHBondContact O-N 2.97Å; S1562-G1565 PolarHBondContact O-N 2.76Å; L1563-G1565 VanDerWaalsContact C-N 3.34Å |
| 1566 | V | 68.4 | Low | 69.5 | Low | 75 Ų | 75 | 62.9 Ų | 62.9 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -142.1 | 136.1 | -176.7 | -146.6 | 0 | 0 | 0 | 0 | 109.6 | L1564 P1568 | L1564-V1566 PolarHBondContact O-N 2.96Å; V1566-P1568 WeakPolarHBondContact O-CD 3.3Å |
| 1567 | D | 66.5 | Low | 68.5 | Low | 59 Ų | 59 | 64.7 Ų | 64.7 | 32% | 0.316 | 36% | 0.363 | S | S | . | . | trans | -87.2 | 114.9 | -179.2 | -135.4 | -25.7 | 0 | 0 | 0 | 110.3 | R1557 V1561 D1569 L1570 | R1557-D1567 IonicContact NH2-OD1 3.98Å; V1561-D1567 HydrophobicContact CG1-CB 3.98Å; V1561-D1567 VanDerWaalsContact CG1-CG 3.49Å; V1561-D1567 VanDerWaalsContact CG2-OD1 3.26Å; V1561-D1567 WeakPolarHBondContact CG2-OD1 3.41Å; D1567-D1569 VanDerWaalsContact C-N 3.29Å; D1567-D1569 PolarHBondContact O-N 3.38Å; D1567-L1570 HydrophobicContact CB-CD1 3.91Å; D1567-L1570 HydrophobicContact CB-CG 4.42Å; D1567-L1570 PolarHBondContact O-N 3.23Å | ||
| 1568 | P | 65.3 | Low | 67.4 | Low | 19 Ų | 19 | 66.3 Ų | 66.3 | 12% | 0.123 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -66.4 | -28.5 | -171.3 | -23.7 | 36.2 | 0 | 0 | 0 | 114.1 | L1564 V1566 L1570 S1571 Y1587 | L1564-P1568 HydrophobicContact CD1-CG 4.49Å; V1566-P1568 WeakPolarHBondContact O-CD 3.3Å; P1568-L1570 VanDerWaalsContact C-N 3.29Å; P1568-L1570 PolarHBondContact O-N 2.87Å; P1568-S1571 PolarHBondContact O-N 2.85Å; P1568-S1571 PolarHBondContact O-OG 3Å; P1568-Y1587 HydrophobicContact CB-CE1 4.42Å; P1568-Y1587 HydrophobicContact CG-CE1 3.96Å; P1568-Y1587 HydrophobicContact CG-CE2 4.37Å; P1568-Y1587 WeakPolarHBondContact CG-OH 3.46Å |
| 1569 | D | 65.8 | Low | 66.6 | Low | 75 Ų | 75 | 69.1 Ų | 69.1 | 40% | 0.401 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -73.2 | -17.5 | -177.3 | -83.6 | -1.7 | 0 | 0 | 0 | 113 | R1557 D1567 S1571 R1596 | R1557-D1569 IonicContact CZ-OD2 2.94Å; R1557-D1569 IonicContact NH1-OD2 2.68Å; R1557-D1569 PolarHBondContact NH1-OD2 3.23Å; R1557-D1569 IonicContact NH2-OD2 3.36Å; R1557-D1569 PolarHBondContact NH2-OD2 3.11Å; D1567-D1569 VanDerWaalsContact C-N 3.29Å; D1567-D1569 PolarHBondContact O-N 3.38Å; D1569-S1571 PolarHBondContact O-N 2.95Å; D1569-R1596 IonicContact OD1-NH1 2.8Å; D1569-R1596 PolarHBondContact OD1-NH1 3.46Å; D1569-R1596 VanDerWaalsContact OD1-NH1 3.1Å; D1569-R1596 IonicContact OD2-NH1 2.93Å; D1569-R1596 IonicContact OD2-NH2 2.89Å |
| 1570 | L | 64.8 | Low | 66 | Low | 152 Ų | 152 | 72.1 Ų | 72.1 | 80% | 0.796 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -78.5 | -6.7 | 177.4 | -76.3 | 166.6 | 0 | 0 | 0 | 113 | D1567 P1568 | D1567-L1570 HydrophobicContact CB-CD1 3.91Å; D1567-L1570 HydrophobicContact CB-CG 4.42Å; D1567-L1570 PolarHBondContact O-N 3.23Å; P1568-L1570 VanDerWaalsContact C-N 3.29Å; P1568-L1570 PolarHBondContact O-N 2.87Å |
| 1571 | S | 54.3 | Low | 65.6 | Low | 38 Ų | 38 | 72.6 Ų | 72.6 | 27% | 0.266 | 41% | 0.413 | S | S | . | . | trans | -132.5 | 106.4 | -174.2 | 44.3 | 0 | 0 | 0 | 0 | 111 | P1568 D1569 T1573 F1574 | P1568-S1571 PolarHBondContact O-N 2.85Å; P1568-S1571 PolarHBondContact O-OG 3Å; D1569-S1571 PolarHBondContact O-N 2.95Å; S1571-T1573 PolarHBondContact O-N 2.79Å; S1571-F1574 PolarHBondContact O-N 2.83Å; S1571-F1574 WeakPolarHBondContact OG-CB 3.47Å | ||
| 1572 | E | 50.5 | Low | 65.4 | Low | 203 Ų | 203 | 74.9 Ų | 74.9 | 95% | 0.949 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -12.5 | -175.3 | -68.7 | -176.9 | 160.2 | 0 | 0 | 114.9 | ||
| 1573 | T | 52.3 | Low | 65.4 | Low | 137 Ų | 137 | 71.4 Ų | 71.4 | 84% | 0.84 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.6 | 12.3 | -175.6 | 57.1 | 0 | 0 | 0 | 0 | 115 | S1571 T1575 | S1571-T1573 PolarHBondContact O-N 2.79Å; T1573-T1575 PolarHBondContact O-N 3.39Å |
| 1574 | F | 54.8 | Low | 65.4 | Low | 90 Ų | 90 | 70.6 Ų | 70.6 | 40% | 0.395 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 117.7 | -167.9 | -160.6 | -95.9 | 0 | 0 | 0 | 113.2 | S1571 P1577 | S1571-F1574 PolarHBondContact O-N 2.83Å; S1571-F1574 WeakPolarHBondContact OG-CB 3.47Å; F1574-P1577 HydrophobicContact CE1-CG 4.03Å; F1574-P1577 HydrophobicContact CZ-CG 4.41Å |
| 1575 | T | 58.6 | Low | 65.8 | Low | 83 Ų | 83 | 70.5 Ų | 70.5 | 51% | 0.509 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 138.9 | 167.1 | 50.8 | 0 | 0 | 0 | 0 | 109.9 | T1573 | T1573-T1575 PolarHBondContact O-N 3.39Š|
| 1576 | L | 62 | Low | 66.3 | Low | 14 Ų | 14 | 67.6 Ų | 67.6 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 141.8 | -177.9 | -82.1 | 161.4 | 0 | 0 | 0 | 113 | L1564 Q1578 Y1587 E1603 | L1564-L1576 HydrophobicContact CD1-CD2 4.39Å; L1564-L1576 HydrophobicContact CD2-CD2 4.34Å; L1576-Q1578 PolarHBondContact O-N 2.93Å; L1576-Y1587 HydrophobicContact CD1-CD1 4.19Å; L1576-Y1587 HydrophobicContact CD2-CD1 3.73Å; L1576-Y1587 HydrophobicContact CD2-CE1 4.34Å; L1576-Y1587 HydrophobicContact CD2-CG 4.2Å; L1576-Y1587 HydrophobicContact CG-CD1 4.48Å; L1576-E1603 HydrophobicContact CD1-CB 4.04Å; L1576-E1603 HydrophobicContact CD1-CG 4.27Å; L1576-E1603 PolarHBondContact N-OE2 2.82Å |
| 1577 | P | 62 | Low | 67 | Low | 37 Ų | 37 | 64.3 Ų | 64.3 | 24% | 0.24 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -59 | 132.8 | 177.3 | -18.9 | 31.4 | 0 | 0 | 0 | 111.1 | L1564 F1574 S1584 | L1564-P1577 HydrophobicContact CD2-CG 3.79Å; F1574-P1577 HydrophobicContact CE1-CG 4.03Å; F1574-P1577 HydrophobicContact CZ-CG 4.41Å; P1577-S1584 PolarHBondContact O-OG 3.47Å |
| 1578 | Q | 59.3 | Low | 67.9 | Low | 90 Ų | 90 | 61.5 Ų | 61.5 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -90.3 | -12 | -173.4 | -63.9 | -166.8 | 11.5 | 0 | 0 | 114.2 | L1576 N1580 T1610 | L1576-Q1578 PolarHBondContact O-N 2.93Å; Q1578-N1580 PolarHBondContact O-N 3.39Å; Q1578-N1580 VanDerWaalsContact O-N 3.15Å; Q1578-T1610 VanDerWaalsContact CD-OG1 3.24Å; Q1578-T1610 PolarHBondContact NE2-OG1 2.94Å; Q1578-T1610 VanDerWaalsContact OE1-CB 3.28Å; Q1578-T1610 PolarHBondContact OE1-OG1 2.84Å |
| 1579 | D | 62.8 | Low | 68.8 | Low | 154 Ų | 154 | 62.9 Ų | 62.9 | 82% | 0.824 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -64.3 | -21.6 | -175.3 | -60.9 | -26.4 | 0 | 0 | 0 | 113.1 | ||
| 1580 | N | 70.3 | Confident | 69.6 | Low | 79 Ų | 79 | 59.4 Ų | 59.4 | 42% | 0.422 | 31% | 0.313 | S | S | . | . | trans | -138.5 | 85.9 | 178.6 | -100.7 | -48.6 | 0 | 0 | 0 | 112.9 | Q1578 I1582 L1583 S1584 | Q1578-N1580 PolarHBondContact O-N 3.39Å; Q1578-N1580 VanDerWaalsContact O-N 3.15Å; N1580-I1582 VanDerWaalsContact C-N 3.26Å; N1580-I1582 PolarHBondContact O-N 2.9Å; N1580-L1583 HydrophobicContact CB-CB 4.29Å; N1580-L1583 WeakPolarHBondContact O-CB 3.38Å; N1580-L1583 PolarHBondContact O-N 2.79Å; N1580-L1583 VanDerWaalsContact O-N 3.11Å; N1580-S1584 PolarHBondContact O-N 3.45Å | ||
| 1581 | P | 73.7 | Confident | 70.5 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 7% | 0.071 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.8 | -23.9 | -173.2 | 22.7 | -32.1 | 0 | 0 | 0 | 114.3 | Y1585 L1607 M1621 L1624 | P1581-Y1585 VanDerWaalsContact O-CB 3.29Å; P1581-Y1585 WeakPolarHBondContact O-CB 3.5Å; P1581-Y1585 PolarHBondContact O-N 2.82Å; P1581-L1607 HydrophobicContact CB-CD2 4.27Å; P1581-M1621 HydrophobicContact CG-CE 3.82Å; P1581-M1621 HydrophobicContact CG-SD 3.58Å; P1581-M1621 VanDerWaalsContact CG-SD 3.58Å; P1581-L1624 HydrophobicContact CB-CD2 4.03Å; P1581-L1624 HydrophobicContact CG-CD2 4.25Å |
| 1582 | I | 78 | Confident | 71.9 | Confident | 68 Ų | 68 | 53 Ų | 53 | 35% | 0.349 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 176.1 | -55.8 | 171.2 | 0 | 0 | 0 | 110.9 | I1541 N1580 A1586 L1624 | I1541-I1582 HydrophobicContact CD1-CB 4.43Å; I1541-I1582 HydrophobicContact CD1-CG2 3.76Å; N1580-I1582 VanDerWaalsContact C-N 3.26Å; N1580-I1582 PolarHBondContact O-N 2.9Å; I1582-A1586 PolarHBondContact O-N 3.42Å; I1582-L1624 HydrophobicContact CB-CD2 4.42Å; I1582-L1624 HydrophobicContact CG1-CD1 4.24Å; I1582-L1624 HydrophobicContact CG1-CD2 3.65Å |
| 1583 | L | 78.4 | Confident | 73.2 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71 | -46 | -178.8 | -159.1 | 83.6 | 0 | 0 | 0 | 110.5 | L1537 I1541 L1560 L1563 L1564 N1580 Y1585 A1586 Y1587 | L1537-L1583 HydrophobicContact CD2-CD1 3.56Å; I1541-L1583 HydrophobicContact CD1-CD1 3.77Å; I1541-L1583 HydrophobicContact CG1-CD1 3.72Å; L1560-L1583 HydrophobicContact CD2-CD1 4.47Å; L1563-L1583 HydrophobicContact CB-CD1 3.71Å; L1563-L1583 HydrophobicContact CB-CD2 3.81Å; L1563-L1583 HydrophobicContact CB-CG 4.37Å; L1563-L1583 HydrophobicContact CD1-CD1 3.74Å; L1563-L1583 HydrophobicContact CG-CD1 4.32Å; L1564-L1583 HydrophobicContact CB-CD2 4.37Å; L1564-L1583 HydrophobicContact CD2-CD2 3.75Å; L1564-L1583 HydrophobicContact CG-CD2 3.62Å; N1580-L1583 HydrophobicContact CB-CB 4.29Å; N1580-L1583 WeakPolarHBondContact O-CB 3.38Å; N1580-L1583 PolarHBondContact O-N 2.79Å; N1580-L1583 VanDerWaalsContact O-N 3.11Å; L1583-Y1585 VanDerWaalsContact C-N 3.32Å; L1583-Y1585 PolarHBondContact O-N 2.89Å; L1583-A1586 WeakPolarHBondContact O-CA 3.37Å; L1583-A1586 WeakPolarHBondContact O-CB 3.32Å; L1583-A1586 PolarHBondContact O-N 2.83Å; L1583-Y1587 PolarHBondContact O-N 3.26Å |
| 1584 | S | 79.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.5 | -37 | 176.4 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | P1577 N1580 A1586 Y1587 C1588 | P1577-S1584 PolarHBondContact O-OG 3.47Å; N1580-S1584 PolarHBondContact O-N 3.45Å; S1584-A1586 PolarHBondContact O-N 2.79Å; S1584-Y1587 PolarHBondContact O-N 3.35Å; S1584-C1588 PolarHBondContact O-N 2.75Å; S1584-C1588 PolarHBondContact O-SG 3.46Å |
| 1585 | Y | 83.5 | Confident | 75.7 | Confident | 22 Ų | 22 | 40 Ų | 40 | 9% | 0.086 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -38.2 | 168.7 | 175.4 | -118.8 | 0 | 0 | 0 | 113.1 | P1581 L1583 K1589 L1604 L1624 K1631 | P1581-Y1585 VanDerWaalsContact O-CB 3.29Å; P1581-Y1585 WeakPolarHBondContact O-CB 3.5Å; P1581-Y1585 PolarHBondContact O-N 2.82Å; L1583-Y1585 VanDerWaalsContact C-N 3.32Å; L1583-Y1585 PolarHBondContact O-N 2.89Å; Y1585-K1589 HydrophobicContact CE1-CD 4.1Å; Y1585-K1589 HydrophobicContact CE2-CD 4.41Å; Y1585-K1589 HydrophobicContact CE2-CG 4.45Å; Y1585-K1589 WeakPolarHBondContact O-CE 3.29Å; Y1585-K1589 PolarHBondContact O-N 2.94Å; Y1585-L1604 HydrophobicContact CD2-CD1 3.67Å; Y1585-L1604 HydrophobicContact CE2-CD1 4.16Å; Y1585-L1624 HydrophobicContact CD1-CD1 4.04Å; Y1585-K1631 HydrophobicContact CE2-CB 4.4Å; Y1585-K1631 WeakPolarHBondContact OH-CG 3.44Å |
| 1586 | A | 80.9 | Confident | 76.8 | Confident | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.1 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1541 R1548 L1560 I1582 L1583 S1584 K1589 Q1590 | I1541-A1586 HydrophobicContact CG2-CB 3.86Å; R1548-A1586 PolarHBondContact NH1-O 3Å; L1560-A1586 HydrophobicContact CD2-CB 3.93Å; I1582-A1586 PolarHBondContact O-N 3.42Å; L1583-A1586 WeakPolarHBondContact O-CA 3.37Å; L1583-A1586 WeakPolarHBondContact O-CB 3.32Å; L1583-A1586 PolarHBondContact O-N 2.83Å; S1584-A1586 PolarHBondContact O-N 2.79Å; A1586-K1589 PolarHBondContact O-N 3.4Å; A1586-Q1590 PolarHBondContact O-N 3.26Å |
| 1587 | Y | 84.5 | Confident | 77.6 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.3 | -40.9 | 176 | -164.4 | -97.9 | 0 | 0 | 0 | 112.6 | L1560 V1561 L1564 P1568 L1576 L1583 S1584 K1589 Q1590 L1591 | L1560-Y1587 HydrophobicContact CB-CD2 4.02Å; L1560-Y1587 HydrophobicContact CD1-CD2 4.25Å; V1561-Y1587 HydrophobicContact CG2-CE2 4.39Å; L1564-Y1587 HydrophobicContact CD1-CD2 3.87Å; L1564-Y1587 HydrophobicContact CD1-CE2 4.23Å; L1564-Y1587 HydrophobicContact CD1-CG 4.22Å; P1568-Y1587 HydrophobicContact CB-CE1 4.42Å; P1568-Y1587 HydrophobicContact CG-CE1 3.96Å; P1568-Y1587 HydrophobicContact CG-CE2 4.37Å; P1568-Y1587 WeakPolarHBondContact CG-OH 3.46Å; L1576-Y1587 HydrophobicContact CD1-CD1 4.19Å; L1576-Y1587 HydrophobicContact CD2-CD1 3.73Å; L1576-Y1587 HydrophobicContact CD2-CE1 4.34Å; L1576-Y1587 HydrophobicContact CD2-CG 4.2Å; L1576-Y1587 HydrophobicContact CG-CD1 4.48Å; L1583-Y1587 PolarHBondContact O-N 3.26Å; S1584-Y1587 PolarHBondContact O-N 3.35Å; Y1587-K1589 VanDerWaalsContact C-N 3.25Å; Y1587-K1589 PolarHBondContact O-N 3.4Å; Y1587-Q1590 WeakPolarHBondContact O-CA 3.44Å; Y1587-Q1590 VanDerWaalsContact O-CB 3.3Å; Y1587-Q1590 WeakPolarHBondContact O-CB 3.19Å; Y1587-Q1590 PolarHBondContact O-N 3.26Å; Y1587-L1591 HydrophobicContact CD1-CD1 3.83Å; Y1587-L1591 HydrophobicContact CD1-CG 4.15Å; Y1587-L1591 HydrophobicContact CE1-CD1 3.77Å; Y1587-L1591 HydrophobicContact CE1-CD2 4.27Å; Y1587-L1591 HydrophobicContact CE1-CG 3.91Å; Y1587-L1591 PolarHBondContact O-N 3.35Å |
| 1588 | C | 84.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.4 | -41.1 | 172.8 | -67.7 | 0 | 0 | 0 | 0 | 111.8 | S1584 Q1590 L1591 H1592 A1600 L1604 W1635 | S1584-C1588 PolarHBondContact O-N 2.75Å; S1584-C1588 PolarHBondContact O-SG 3.46Å; C1588-Q1590 VanDerWaalsContact C-N 3.28Å; C1588-Q1590 PolarHBondContact O-N 3.21Å; C1588-L1591 PolarHBondContact O-N 3.33Å; C1588-H1592 PolarHBondContact O-N 3.41Å; C1588-A1600 WeakPolarHBondContact O-CB 3.2Å; C1588-L1604 HydrophobicContact CB-CD1 4.11Å; C1588-W1635 HydrophobicContact CB-CH2 4.46Å |
| 1589 | K | 84.6 | Confident | 79.4 | Confident | 49 Ų | 49 | 49.2 Ų | 49.2 | 21% | 0.213 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.2 | -29.3 | 174.6 | -71.8 | 177.7 | -68.1 | -174.2 | 0 | 112.9 | Y1585 A1586 Y1587 S1593 W1635 | Y1585-K1589 HydrophobicContact CE1-CD 4.1Å; Y1585-K1589 HydrophobicContact CE2-CD 4.41Å; Y1585-K1589 HydrophobicContact CE2-CG 4.45Å; Y1585-K1589 WeakPolarHBondContact O-CE 3.29Å; Y1585-K1589 PolarHBondContact O-N 2.94Å; A1586-K1589 PolarHBondContact O-N 3.4Å; Y1587-K1589 VanDerWaalsContact C-N 3.25Å; Y1587-K1589 PolarHBondContact O-N 3.4Å; K1589-S1593 PolarHBondContact O-N 3.42Å; K1589-S1593 PolarHBondContact O-OG 2.95Å; K1589-W1635 HydrophobicContact CB-CH2 4.46Å; K1589-W1635 HydrophobicContact CB-CZ2 4.47Å; K1589-W1635 HydrophobicContact CG-CH2 3.93Å; K1589-W1635 HydrophobicContact CG-CZ2 3.87Å |
| 1590 | Q | 83.6 | Confident | 80.2 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.8 | -46.2 | 176.1 | -177.9 | 60.2 | 22.6 | 0 | 0 | 110.9 | M1553 S1556 L1560 A1586 Y1587 C1588 H1592 S1593 E1594 | M1553-Q1590 PolarHBondContact O-NE2 3.14Å; S1556-Q1590 PolarHBondContact OG-OE1 2.89Å; L1560-Q1590 HydrophobicContact CD1-CB 3.93Å; L1560-Q1590 HydrophobicContact CD1-CG 4.24Å; A1586-Q1590 PolarHBondContact O-N 3.26Å; Y1587-Q1590 WeakPolarHBondContact O-CA 3.44Å; Y1587-Q1590 VanDerWaalsContact O-CB 3.3Å; Y1587-Q1590 WeakPolarHBondContact O-CB 3.19Å; Y1587-Q1590 PolarHBondContact O-N 3.26Å; C1588-Q1590 VanDerWaalsContact C-N 3.28Å; C1588-Q1590 PolarHBondContact O-N 3.21Å; Q1590-H1592 VanDerWaalsContact C-N 3.3Å; Q1590-H1592 PolarHBondContact O-N 2.91Å; Q1590-S1593 WeakPolarHBondContact CA-OG 3.42Å; Q1590-S1593 PolarHBondContact O-N 3.2Å; Q1590-S1593 VanDerWaalsContact O-N 3.17Å; Q1590-S1593 PolarHBondContact O-OG 2.75Å; Q1590-E1594 PolarHBondContact NE2-OE1 3.45Å; Q1590-E1594 WeakPolarHBondContact O-CG 3.43Å; Q1590-E1594 PolarHBondContact O-N 3.47Å |
| 1591 | L | 82.6 | Confident | 80.8 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56 | -44 | 175.6 | -76.2 | 166.6 | 0 | 0 | 0 | 112.3 | Y1587 C1588 E1594 R1596 A1600 | Y1587-L1591 HydrophobicContact CD1-CD1 3.83Å; Y1587-L1591 HydrophobicContact CD1-CG 4.15Å; Y1587-L1591 HydrophobicContact CE1-CD1 3.77Å; Y1587-L1591 HydrophobicContact CE1-CD2 4.27Å; Y1587-L1591 HydrophobicContact CE1-CG 3.91Å; Y1587-L1591 PolarHBondContact O-N 3.35Å; C1588-L1591 PolarHBondContact O-N 3.33Å; L1591-E1594 PolarHBondContact O-N 3.3Å; L1591-R1596 HydrophobicContact CD2-CB 4.45Å; L1591-R1596 PolarHBondContact O-N 3.37Å; L1591-A1600 HydrophobicContact CB-CB 3.9Å |
| 1592 | H | 83.3 | Confident | 81.2 | Confident | 44 Ų | 44 | 45.4 Ų | 45.4 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 177.9 | 178.1 | 30.6 | 0 | 0 | 0 | 112.3 | C1588 Q1590 E1594 G1595 E1597 A1600 W1635 | C1588-H1592 PolarHBondContact O-N 3.41Å; Q1590-H1592 VanDerWaalsContact C-N 3.3Å; Q1590-H1592 PolarHBondContact O-N 2.91Å; H1592-E1594 VanDerWaalsContact C-N 3.26Å; H1592-E1594 PolarHBondContact O-N 3.46Å; H1592-G1595 PolarHBondContact O-N 2.8Å; H1592-G1595 VanDerWaalsContact O-N 3.09Å; H1592-E1597 IonicContact CE1-OE1 3.33Å; H1592-E1597 PolarHBondContact CE1-OE1 2.74Å; H1592-E1597 WeakPolarHBondContact ND1-CG 3.24Å; H1592-E1597 IonicContact ND1-OE1 3.5Å; H1592-E1597 PolarHBondContact ND1-OE1 2.98Å; H1592-A1600 HydrophobicContact CB-CB 3.95Å; H1592-W1635 HydrophobicContact CB-CH2 4.15Å; H1592-W1635 HydrophobicContact CB-CZ2 4.07Å; H1592-W1635 AromaticContact CD2-CD1 3.55Å; H1592-W1635 AromaticContact CD2-CD2 3.81Å; H1592-W1635 AromaticContact CD2-CE2 3.21Å; H1592-W1635 AromaticContact CD2-CZ2 3.56Å; H1592-W1635 AromaticContact CD2-NE1 3.02Å; H1592-W1635 PolarHBondContact CD2-NE1 3.34Å; H1592-W1635 AromaticContact NE2-CD1 3.31Å; H1592-W1635 VanDerWaalsContact NE2-CD1 3.31Å; H1592-W1635 AromaticContact NE2-CE2 3.86Å; H1592-W1635 AromaticContact NE2-CG 3.94Å; H1592-W1635 AromaticContact NE2-NE1 3.25Å; H1592-W1635 PolarHBondContact NE2-NE1 2.95Å |
| 1593 | S | 78.7 | Confident | 81.1 | Confident | 42 Ų | 42 | 43.3 Ų | 43.3 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68 | -23 | 177.1 | 43.5 | 0 | 0 | 0 | 0 | 114.2 | R1548 M1553 K1589 Q1590 G1595 | R1548-S1593 WeakPolarHBondContact CD-OG 3.21Å; M1553-S1593 WeakPolarHBondContact CE-O 3.18Å; K1589-S1593 PolarHBondContact O-N 3.42Å; K1589-S1593 PolarHBondContact O-OG 2.95Å; Q1590-S1593 WeakPolarHBondContact CA-OG 3.42Å; Q1590-S1593 PolarHBondContact O-N 3.2Å; Q1590-S1593 VanDerWaalsContact O-N 3.17Å; Q1590-S1593 PolarHBondContact O-OG 2.75Å; S1593-G1595 PolarHBondContact O-N 2.83Å |
| 1594 | E | 79.9 | Confident | 81.3 | Confident | 58 Ų | 58 | 43 Ų | 43 | 27% | 0.271 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 1.8 | 172.9 | -71.2 | 174.5 | -172.9 | 0 | 0 | 112.9 | M1553 Q1590 L1591 H1592 | M1553-E1594 HydrophobicContact SD-CG 4.14Å; Q1590-E1594 PolarHBondContact NE2-OE1 3.45Å; Q1590-E1594 WeakPolarHBondContact O-CG 3.43Å; Q1590-E1594 PolarHBondContact O-N 3.47Å; L1591-E1594 PolarHBondContact O-N 3.3Å; H1592-E1594 VanDerWaalsContact C-N 3.26Å; H1592-E1594 PolarHBondContact O-N 3.46Å |
| 1595 | G | 79.4 | Confident | 81.4 | Confident | 58 Ų | 58 | 47 Ų | 47 | 60% | 0.598 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | 4.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | H1592 S1593 E1597 | H1592-G1595 PolarHBondContact O-N 2.8Å; H1592-G1595 VanDerWaalsContact O-N 3.09Å; S1593-G1595 PolarHBondContact O-N 2.83Å; G1595-E1597 VanDerWaalsContact C-N 3.31Å; G1595-E1597 PolarHBondContact O-N 2.86Å |
| 1596 | R | 82.1 | Confident | 81.2 | Confident | 104 Ų | 104 | 48.9 Ų | 48.9 | 39% | 0.392 | 25% | 0.25 | S | S | . | . | trans | -90.4 | 60.3 | 176.8 | -62.9 | -178.5 | 177.7 | -178.5 | 0.9 | 111.1 | D1569 L1591 A1600 | D1569-R1596 IonicContact OD1-NH1 2.8Å; D1569-R1596 PolarHBondContact OD1-NH1 3.46Å; D1569-R1596 VanDerWaalsContact OD1-NH1 3.1Å; D1569-R1596 IonicContact OD2-NH1 2.93Å; D1569-R1596 IonicContact OD2-NH2 2.89Å; L1591-R1596 HydrophobicContact CD2-CB 4.45Å; L1591-R1596 PolarHBondContact O-N 3.37Å; R1596-A1600 PolarHBondContact O-N 2.54Å | ||
| 1597 | E | 79.1 | Confident | 80.9 | Confident | 82 Ų | 82 | 49.2 Ų | 49.2 | 38% | 0.383 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | -169.3 | -49.3 | -162.3 | 149.4 | 0 | 0 | 113.6 | H1592 G1595 L1599 A1600 I1601 | H1592-E1597 IonicContact CE1-OE1 3.33Å; H1592-E1597 PolarHBondContact CE1-OE1 2.74Å; H1592-E1597 WeakPolarHBondContact ND1-CG 3.24Å; H1592-E1597 IonicContact ND1-OE1 3.5Å; H1592-E1597 PolarHBondContact ND1-OE1 2.98Å; G1595-E1597 VanDerWaalsContact C-N 3.31Å; G1595-E1597 PolarHBondContact O-N 2.86Å; E1597-L1599 PolarHBondContact O-N 3.5Å; E1597-A1600 WeakPolarHBondContact O-CB 3.19Å; E1597-A1600 PolarHBondContact O-N 3.49Å; E1597-I1601 WeakPolarHBondContact O-CG1 3.31Å; E1597-I1601 PolarHBondContact O-N 3.37Å |
| 1598 | D | 78.2 | Confident | 80.4 | Confident | 142 Ų | 142 | 49.7 Ų | 49.7 | 76% | 0.759 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | -177.7 | -69.2 | -35.8 | 0 | 0 | 0 | 112.6 | I1601 K1602 | D1598-I1601 PolarHBondContact O-N 2.93Å; D1598-K1602 WeakPolarHBondContact O-CB 3.44Å; D1598-K1602 PolarHBondContact O-N 2.77Å |
| 1599 | L | 79.6 | Confident | 79.9 | Confident | 89 Ų | 89 | 54.5 Ų | 54.5 | 47% | 0.466 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 175.5 | -99.3 | 161.1 | 0 | 0 | 0 | 111 | E1597 I1601 K1602 E1603 | E1597-L1599 PolarHBondContact O-N 3.5Å; L1599-I1601 PolarHBondContact O-N 2.9Å; L1599-K1602 PolarHBondContact O-N 3.34Å; L1599-E1603 WeakPolarHBondContact O-CB 3.26Å; L1599-E1603 PolarHBondContact O-N 2.63Å |
| 1600 | A | 81.5 | Confident | 79 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -43.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | C1588 L1591 H1592 R1596 E1597 L1604 W1635 | C1588-A1600 WeakPolarHBondContact O-CB 3.2Å; L1591-A1600 HydrophobicContact CB-CB 3.9Å; H1592-A1600 HydrophobicContact CB-CB 3.95Å; R1596-A1600 PolarHBondContact O-N 2.54Å; E1597-A1600 WeakPolarHBondContact O-CB 3.19Å; E1597-A1600 PolarHBondContact O-N 3.49Å; A1600-L1604 WeakPolarHBondContact O-CB 3.35Å; A1600-L1604 PolarHBondContact O-N 2.98Å; A1600-W1635 HydrophobicContact CB-CZ3 4.17Å |
| 1601 | I | 81.6 | Confident | 77.9 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.7 | -41 | 178.1 | -66 | 169.4 | 0 | 0 | 0 | 110.8 | E1597 D1598 L1599 L1604 K1605 W1635 T1636 | E1597-I1601 WeakPolarHBondContact O-CG1 3.31Å; E1597-I1601 PolarHBondContact O-N 3.37Å; D1598-I1601 PolarHBondContact O-N 2.93Å; L1599-I1601 PolarHBondContact O-N 2.9Å; I1601-L1604 PolarHBondContact O-N 2.84Å; I1601-K1605 PolarHBondContact O-N 3.3Å; I1601-W1635 HydrophobicContact CD1-CB 4.3Å; I1601-W1635 HydrophobicContact CG1-CB 4.27Å; I1601-W1635 HydrophobicContact CG1-CE3 4.28Å; I1601-T1636 HydrophobicContact CD1-CG2 4.46Å; I1601-T1636 HydrophobicContact CG2-CG2 4.49Å |
| 1602 | K | 82.7 | Confident | 77 | Confident | 140 Ų | 140 | 56.1 Ų | 56.1 | 61% | 0.609 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65 | -47.8 | -180 | -165 | -178.1 | -177.1 | -174.3 | 0 | 111.8 | D1598 L1599 K1605 N1606 | D1598-K1602 WeakPolarHBondContact O-CB 3.44Å; D1598-K1602 PolarHBondContact O-N 2.77Å; L1599-K1602 PolarHBondContact O-N 3.34Å; K1602-K1605 PolarHBondContact O-N 2.74Å; K1602-N1606 PolarHBondContact O-N 3Å |
| 1603 | E | 76.7 | Confident | 75.8 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 12% | 0.117 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 177.1 | -76 | -57.4 | 115.8 | 0 | 0 | 112.2 | L1576 L1599 K1605 N1606 L1607 | L1576-E1603 HydrophobicContact CD1-CB 4.04Å; L1576-E1603 HydrophobicContact CD1-CG 4.27Å; L1576-E1603 PolarHBondContact N-OE2 2.82Å; L1599-E1603 WeakPolarHBondContact O-CB 3.26Å; L1599-E1603 PolarHBondContact O-N 2.63Å; E1603-K1605 VanDerWaalsContact C-N 3.34Å; E1603-K1605 PolarHBondContact O-N 3.31Å; E1603-N1606 PolarHBondContact O-N 3.41Å; E1603-N1606 PolarHBondContact OE1-ND2 2.86Å; E1603-L1607 WeakPolarHBondContact O-CB 3.42Å; E1603-L1607 PolarHBondContact O-N 3.27Å |
| 1604 | L | 81.3 | Confident | 74.4 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.2 | -35.9 | 175.9 | -166.8 | 74.8 | 0 | 0 | 0 | 112.1 | Y1585 C1588 A1600 I1601 L1608 C1628 L1632 W1635 | Y1585-L1604 HydrophobicContact CD2-CD1 3.67Å; Y1585-L1604 HydrophobicContact CE2-CD1 4.16Å; C1588-L1604 HydrophobicContact CB-CD1 4.11Å; A1600-L1604 WeakPolarHBondContact O-CB 3.35Å; A1600-L1604 PolarHBondContact O-N 2.98Å; I1601-L1604 PolarHBondContact O-N 2.84Å; L1604-L1608 PolarHBondContact O-N 3.07Å; L1604-C1628 HydrophobicContact CD1-CB 4.37Å; L1604-L1632 HydrophobicContact CB-CD1 3.92Å; L1604-L1632 HydrophobicContact CD2-CB 3.9Å; L1604-L1632 HydrophobicContact CD2-CD1 3.55Å; L1604-L1632 HydrophobicContact CD2-CG 4.1Å; L1604-L1632 HydrophobicContact CG-CD1 3.72Å; L1604-W1635 HydrophobicContact CD2-CE3 4.01Å; L1604-W1635 HydrophobicContact CD2-CZ3 3.76Å |
| 1605 | K | 81.6 | Confident | 72.5 | Confident | 86 Ų | 86 | 75.1 Ų | 75.1 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 171 | -82 | -175.9 | 177.3 | 175.4 | 0 | 111.9 | I1601 K1602 E1603 L1607 L1608 D1609 L1632 | I1601-K1605 PolarHBondContact O-N 3.3Å; K1602-K1605 PolarHBondContact O-N 2.74Å; E1603-K1605 VanDerWaalsContact C-N 3.34Å; E1603-K1605 PolarHBondContact O-N 3.31Å; K1605-L1607 VanDerWaalsContact C-N 3.26Å; K1605-L1607 PolarHBondContact O-N 3.47Å; K1605-L1608 WeakPolarHBondContact O-CB 3.45Å; K1605-L1608 PolarHBondContact O-N 3.24Å; K1605-L1608 VanDerWaalsContact O-N 3.08Å; K1605-D1609 PolarHBondContact O-N 2.91Å; K1605-L1632 HydrophobicContact CG-CD1 3.69Å; K1605-L1632 HydrophobicContact CG-CD2 4.22Å |
| 1606 | N | 78.4 | Confident | 71 | Confident | 62 Ų | 62 | 76 Ų | 76 | 33% | 0.332 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -54.3 | -45.8 | 175.9 | -84.5 | -14.9 | 0 | 0 | 0 | 111.1 | K1602 E1603 L1608 D1609 T1610 | K1602-N1606 PolarHBondContact O-N 3Å; E1603-N1606 PolarHBondContact O-N 3.41Å; E1603-N1606 PolarHBondContact OE1-ND2 2.86Å; N1606-L1608 VanDerWaalsContact C-N 3.31Å; N1606-L1608 PolarHBondContact O-N 3.45Å; N1606-D1609 PolarHBondContact O-N 2.87Å; N1606-T1610 PolarHBondContact O-N 2.82Å; N1606-T1610 PolarHBondContact O-OG1 3.26Å |
| 1607 | L | 75.3 | Confident | 69.7 | Low | 10 Ų | 10 | 74 Ų | 74 | 5% | 0.052 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.9 | -34.6 | 178.9 | -167.2 | 141.3 | 0 | 0 | 0 | 113.2 | P1581 E1603 K1605 S1611 F1612 | P1581-L1607 HydrophobicContact CB-CD2 4.27Å; E1603-L1607 WeakPolarHBondContact O-CB 3.42Å; E1603-L1607 PolarHBondContact O-N 3.27Å; K1605-L1607 VanDerWaalsContact C-N 3.26Å; K1605-L1607 PolarHBondContact O-N 3.47Å; L1607-S1611 WeakPolarHBondContact O-CB 3.45Å; L1607-S1611 PolarHBondContact O-N 2.97Å; L1607-S1611 PolarHBondContact O-OG 3.02Å; L1607-S1611 VanDerWaalsContact O-OG 3.04Å; L1607-F1612 HydrophobicContact CD2-CE2 4.05Å |
| 1608 | L | 74.7 | Confident | 68.8 | Low | 16 Ų | 16 | 73.1 Ų | 73.1 | 8% | 0.084 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69.7 | -36.1 | 174.8 | -88.1 | 159.2 | 0 | 0 | 0 | 112.8 | L1604 K1605 N1606 F1612 K1625 C1628 F1629 L1632 | L1604-L1608 PolarHBondContact O-N 3.07Å; K1605-L1608 WeakPolarHBondContact O-CB 3.45Å; K1605-L1608 PolarHBondContact O-N 3.24Å; K1605-L1608 VanDerWaalsContact O-N 3.08Å; N1606-L1608 VanDerWaalsContact C-N 3.31Å; N1606-L1608 PolarHBondContact O-N 3.45Å; L1608-F1612 HydrophobicContact CD2-CD2 4.41Å; L1608-F1612 HydrophobicContact CD2-CE2 4.28Å; L1608-K1625 HydrophobicContact CD2-CG 3.68Å; L1608-C1628 HydrophobicContact CD1-CB 4.13Å; L1608-C1628 HydrophobicContact CD2-CB 4.21Å; L1608-C1628 HydrophobicContact CG-CB 4.18Å; L1608-F1629 HydrophobicContact CD1-CD1 4.02Å; L1608-F1629 HydrophobicContact CD1-CE1 4Å; L1608-F1629 HydrophobicContact CD1-CZ 4.49Å; L1608-F1629 HydrophobicContact CD2-CD1 4.34Å; L1608-F1629 HydrophobicContact CD2-CD2 4Å; L1608-F1629 HydrophobicContact CD2-CE1 4Å; L1608-F1629 HydrophobicContact CD2-CE2 3.66Å; L1608-F1629 HydrophobicContact CD2-CG 4.33Å; L1608-F1629 HydrophobicContact CD2-CZ 3.66Å; L1608-L1632 HydrophobicContact CD1-CD1 3.89Å |
| 1609 | D | 72.2 | Confident | 68.2 | Low | 101 Ų | 101 | 72.3 Ų | 72.3 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -81.8 | -24.7 | -173.5 | -77.1 | -23.5 | 0 | 0 | 0 | 114.4 | K1605 N1606 K1613 | K1605-D1609 PolarHBondContact O-N 2.91Å; N1606-D1609 PolarHBondContact O-N 2.87Å; D1609-K1613 WeakPolarHBondContact O-CD 3.23Å; D1609-K1613 WeakPolarHBondContact O-CE 3.3Å; D1609-K1613 PolarHBondContact O-NZ 2.88Å |
| 1610 | T | 66.5 | Low | 67.5 | Low | 59 Ų | 59 | 74 Ų | 74 | 36% | 0.362 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -108 | -46.5 | -176.7 | 47.6 | 0 | 0 | 0 | 0 | 113.9 | Q1578 N1606 F1612 | Q1578-T1610 VanDerWaalsContact CD-OG1 3.24Å; Q1578-T1610 PolarHBondContact NE2-OG1 2.94Å; Q1578-T1610 VanDerWaalsContact OE1-CB 3.28Å; Q1578-T1610 PolarHBondContact OE1-OG1 2.84Å; N1606-T1610 PolarHBondContact O-N 2.82Å; N1606-T1610 PolarHBondContact O-OG1 3.26Å; T1610-F1612 VanDerWaalsContact C-N 3.33Å; T1610-F1612 PolarHBondContact O-N 2.71Å |
| 1611 | S | 59.9 | Low | 66.9 | Low | 26 Ų | 26 | 77 Ų | 77 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -16.8 | -167.8 | -43.7 | 0 | 0 | 0 | 0 | 115.3 | L1607 | L1607-S1611 WeakPolarHBondContact O-CB 3.45Å; L1607-S1611 PolarHBondContact O-N 2.97Å; L1607-S1611 PolarHBondContact O-OG 3.02Å; L1607-S1611 VanDerWaalsContact O-OG 3.04Å |
| 1612 | F | 64.2 | Low | 66.6 | Low | 11 Ų | 11 | 78.1 Ų | 78.1 | 5% | 0.048 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 20.1 | -171.8 | -61.3 | -79.5 | 0 | 0 | 0 | 114.1 | L1607 L1608 T1610 M1621 K1625 | L1607-F1612 HydrophobicContact CD2-CE2 4.05Å; L1608-F1612 HydrophobicContact CD2-CD2 4.41Å; L1608-F1612 HydrophobicContact CD2-CE2 4.28Å; T1610-F1612 VanDerWaalsContact C-N 3.33Å; T1610-F1612 PolarHBondContact O-N 2.71Å; F1612-M1621 HydrophobicContact CE1-CB 4.47Å; F1612-M1621 HydrophobicContact CE1-CE 4.36Å; F1612-M1621 WeakPolarHBondContact CE1-O 3.25Å; F1612-M1621 HydrophobicContact CE1-SD 4.33Å; F1612-K1625 HydrophobicContact CB-CD 3.92Å; F1612-K1625 HydrophobicContact CD1-CB 4.08Å; F1612-K1625 HydrophobicContact CD1-CD 3.84Å; F1612-K1625 HydrophobicContact CD1-CG 4.08Å; F1612-K1625 HydrophobicContact CD2-CD 4.05Å; F1612-K1625 HydrophobicContact CD2-CG 3.96Å; F1612-K1625 HydrophobicContact CE1-CB 3.72Å; F1612-K1625 HydrophobicContact CE1-CD 4.34Å; F1612-K1625 HydrophobicContact CE1-CG 4.09Å; F1612-K1625 HydrophobicContact CE2-CB 4.28Å; F1612-K1625 HydrophobicContact CE2-CG 3.95Å; F1612-K1625 HydrophobicContact CG-CD 3.67Å; F1612-K1625 HydrophobicContact CG-CG 4.01Å; F1612-K1625 HydrophobicContact CZ-CB 3.82Å; F1612-K1625 HydrophobicContact CZ-CG 4.02Å |
| 1613 | K | 58.2 | Low | 66.3 | Low | 162 Ų | 162 | 75.2 Ų | 75.2 | 70% | 0.704 | 40% | 0.402 | S | S | * | . | trans | -86.2 | -11.4 | -174.9 | -86.3 | 177.9 | 172.6 | 150.9 | 0 | 115.6 | D1609 | D1609-K1613 WeakPolarHBondContact O-CD 3.23Å; D1609-K1613 WeakPolarHBondContact O-CE 3.3Å; D1609-K1613 PolarHBondContact O-NZ 2.88Å | ||
| 1614 | E | 48.8 | Very low | 66.3 | Low | 174 Ų | 174 | 74.8 Ų | 74.8 | 81% | 0.813 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -84 | 130 | -177.6 | -66.2 | -172.2 | 164.3 | 0 | 0 | 112.9 | G1616 I1617 | E1614-G1616 PolarHBondContact O-N 2.8Å; E1614-G1616 VanDerWaalsContact O-N 3.15Å; E1614-I1617 WeakPolarHBondContact O-CG1 3.36Å |
| 1615 | Q | 39.6 | Very low | 66.3 | Low | 207 Ų | 207 | 76.3 Ų | 76.3 | 97% | 0.967 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -69.7 | 105.9 | -178.9 | -72.4 | -179.2 | -12.5 | 0 | 0 | 110.7 | ||
| 1616 | G | 48.7 | Very low | 66.3 | Low | 77 Ų | 77 | 72.3 Ų | 72.3 | 79% | 0.794 | 39% | 0.39 | S | S | * | . | trans | 137.4 | 42.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1614 A1618 | E1614-G1616 PolarHBondContact O-N 2.8Å; E1614-G1616 VanDerWaalsContact O-N 3.15Å; G1616-A1618 PolarHBondContact O-N 3.44Å | ||
| 1617 | I | 54.7 | Low | 66.5 | Low | 61 Ų | 61 | 75.2 Ų | 75.2 | 31% | 0.313 | 40% | 0.399 | S | S | . | . | trans | -72.3 | 120.8 | -170.3 | -54.1 | 174.8 | 0 | 0 | 0 | 110.6 | E1614 M1621 L1622 | E1614-I1617 WeakPolarHBondContact O-CG1 3.36Å; I1617-M1621 HydrophobicContact CG2-CB 3.52Å; I1617-L1622 HydrophobicContact CB-CD1 4.21Å; I1617-L1622 HydrophobicContact CG2-CD1 4.15Å; I1617-L1622 HydrophobicContact CG2-CG 4.11Å | ||
| 1618 | A | 60.7 | Low | 66.9 | Low | 64 Ų | 64 | 74.8 Ų | 74.8 | 53% | 0.529 | 40% | 0.397 | S | S | . | . | trans | -59.6 | 144.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G1616 D1620 M1621 L1622 | G1616-A1618 PolarHBondContact O-N 3.44Å; A1618-D1620 PolarHBondContact O-N 3.47Å; A1618-M1621 WeakPolarHBondContact O-CB 3.14Å; A1618-M1621 PolarHBondContact O-N 3.03Å; A1618-L1622 PolarHBondContact O-N 3.49Å | ||
| 1619 | L | 65.9 | Low | 67.4 | Low | 124 Ų | 124 | 75.3 Ų | 75.3 | 65% | 0.649 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -52.4 | -36.1 | -174.5 | -163.8 | 78.3 | 0 | 0 | 0 | 113.3 | L1622 K1623 | L1619-L1622 WeakPolarHBondContact O-CB 3.16Å; L1619-L1622 PolarHBondContact O-N 2.98Å; L1619-K1623 WeakPolarHBondContact O-CG 3.22Å; L1619-K1623 PolarHBondContact O-N 3.28Å; L1619-K1623 VanDerWaalsContact O-N 3.1Å |
| 1620 | D | 64.6 | Low | 67.9 | Low | 125 Ų | 125 | 71.4 Ų | 71.4 | 67% | 0.668 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -69 | -32.2 | 178.6 | -70.1 | -29.1 | 0 | 0 | 0 | 113.3 | A1618 K1623 L1624 | A1618-D1620 PolarHBondContact O-N 3.47Å; D1620-K1623 PolarHBondContact O-N 3.3Å; D1620-L1624 PolarHBondContact O-N 3.14Å |
| 1621 | M | 69.1 | Low | 68.7 | Low | 64 Ų | 64 | 71.5 Ų | 71.5 | 32% | 0.315 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.9 | -35.5 | 174.7 | -77.5 | -83.6 | -89.4 | 0 | 0 | 111.4 | P1581 F1612 I1617 A1618 L1624 K1625 | P1581-M1621 HydrophobicContact CG-CE 3.82Å; P1581-M1621 HydrophobicContact CG-SD 3.58Å; P1581-M1621 VanDerWaalsContact CG-SD 3.58Å; F1612-M1621 HydrophobicContact CE1-CB 4.47Å; F1612-M1621 HydrophobicContact CE1-CE 4.36Å; F1612-M1621 WeakPolarHBondContact CE1-O 3.25Å; F1612-M1621 HydrophobicContact CE1-SD 4.33Å; I1617-M1621 HydrophobicContact CG2-CB 3.52Å; A1618-M1621 WeakPolarHBondContact O-CB 3.14Å; A1618-M1621 PolarHBondContact O-N 3.03Å; M1621-L1624 PolarHBondContact O-N 2.81Å; M1621-K1625 WeakPolarHBondContact O-CB 3.12Å; M1621-K1625 PolarHBondContact O-N 2.87Å |
| 1622 | L | 74 | Confident | 69.8 | Low | 47 Ų | 47 | 70.3 Ų | 70.3 | 25% | 0.246 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 171 | -104 | 142.1 | 0 | 0 | 0 | 111.7 | I1617 A1618 L1619 L1624 K1625 A1626 M1660 | I1617-L1622 HydrophobicContact CB-CD1 4.21Å; I1617-L1622 HydrophobicContact CG2-CD1 4.15Å; I1617-L1622 HydrophobicContact CG2-CG 4.11Å; A1618-L1622 PolarHBondContact O-N 3.49Å; L1619-L1622 WeakPolarHBondContact O-CB 3.16Å; L1619-L1622 PolarHBondContact O-N 2.98Å; L1622-L1624 PolarHBondContact O-N 2.76Å; L1622-K1625 WeakPolarHBondContact O-CB 3.47Å; L1622-K1625 PolarHBondContact O-N 2.83Å; L1622-A1626 PolarHBondContact O-N 2.75Å; L1622-M1660 HydrophobicContact CD2-CB 4.13Å; L1622-M1660 HydrophobicContact CD2-CG 4.42Å; L1622-M1660 HydrophobicContact CD2-SD 3.49Å; L1622-M1660 WeakPolarHBondContact CD2-SD 2.87Å |
| 1623 | K | 77 | Confident | 70.6 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 34% | 0.343 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 174.4 | -70.9 | 178.5 | 178 | 174.6 | 0 | 112.7 | L1619 D1620 K1627 | L1619-K1623 WeakPolarHBondContact O-CG 3.22Å; L1619-K1623 PolarHBondContact O-N 3.28Å; L1619-K1623 VanDerWaalsContact O-N 3.1Å; D1620-K1623 PolarHBondContact O-N 3.3Å; K1623-K1627 WeakPolarHBondContact O-CG 3.28Å; K1623-K1627 PolarHBondContact O-N 3.24Å |
| 1624 | L | 77.9 | Confident | 71.7 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 175 | -171.7 | 74 | 0 | 0 | 0 | 111.2 | P1581 I1582 Y1585 D1620 M1621 L1622 A1626 K1627 C1628 | P1581-L1624 HydrophobicContact CB-CD2 4.03Å; P1581-L1624 HydrophobicContact CG-CD2 4.25Å; I1582-L1624 HydrophobicContact CB-CD2 4.42Å; I1582-L1624 HydrophobicContact CG1-CD1 4.24Å; I1582-L1624 HydrophobicContact CG1-CD2 3.65Å; Y1585-L1624 HydrophobicContact CD1-CD1 4.04Å; D1620-L1624 PolarHBondContact O-N 3.14Å; M1621-L1624 PolarHBondContact O-N 2.81Å; L1622-L1624 PolarHBondContact O-N 2.76Å; L1624-A1626 VanDerWaalsContact C-N 3.34Å; L1624-A1626 PolarHBondContact O-N 3.44Å; L1624-K1627 WeakPolarHBondContact O-CB 3.31Å; L1624-K1627 PolarHBondContact O-N 3.41Å; L1624-K1627 VanDerWaalsContact O-N 3.16Å; L1624-C1628 PolarHBondContact O-N 3.03Å; L1624-C1628 PolarHBondContact O-SG 3.33Å |
| 1625 | K | 80.4 | Confident | 73.2 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59 | -45.4 | 175.8 | -161.2 | 178.6 | -172.7 | 175.9 | 0 | 111.3 | L1608 F1612 M1621 L1622 K1627 C1628 F1629 M1660 | L1608-K1625 HydrophobicContact CD2-CG 3.68Å; F1612-K1625 HydrophobicContact CB-CD 3.92Å; F1612-K1625 HydrophobicContact CD1-CB 4.08Å; F1612-K1625 HydrophobicContact CD1-CD 3.84Å; F1612-K1625 HydrophobicContact CD1-CG 4.08Å; F1612-K1625 HydrophobicContact CD2-CD 4.05Å; F1612-K1625 HydrophobicContact CD2-CG 3.96Å; F1612-K1625 HydrophobicContact CE1-CB 3.72Å; F1612-K1625 HydrophobicContact CE1-CD 4.34Å; F1612-K1625 HydrophobicContact CE1-CG 4.09Å; F1612-K1625 HydrophobicContact CE2-CB 4.28Å; F1612-K1625 HydrophobicContact CE2-CG 3.95Å; F1612-K1625 HydrophobicContact CG-CD 3.67Å; F1612-K1625 HydrophobicContact CG-CG 4.01Å; F1612-K1625 HydrophobicContact CZ-CB 3.82Å; F1612-K1625 HydrophobicContact CZ-CG 4.02Å; M1621-K1625 WeakPolarHBondContact O-CB 3.12Å; M1621-K1625 PolarHBondContact O-N 2.87Å; L1622-K1625 WeakPolarHBondContact O-CB 3.47Å; L1622-K1625 PolarHBondContact O-N 2.83Å; K1625-K1627 VanDerWaalsContact C-N 3.35Å; K1625-K1627 PolarHBondContact O-N 3.22Å; K1625-C1628 WeakPolarHBondContact O-CB 3.35Å; K1625-C1628 PolarHBondContact O-N 2.93Å; K1625-F1629 HydrophobicContact CD-CE2 4.38Å; K1625-F1629 HydrophobicContact CG-CD2 4.27Å; K1625-F1629 HydrophobicContact CG-CE2 3.97Å; K1625-F1629 WeakPolarHBondContact O-CD2 3.15Å; K1625-F1629 PolarHBondContact O-N 3.07Å; K1625-M1660 HydrophobicContact CD-SD 4.21Å |
| 1626 | A | 80.7 | Confident | 75.1 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58 | -45 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1622 L1624 C1628 F1629 V1630 M1660 D1661 | L1622-A1626 PolarHBondContact O-N 2.75Å; L1624-A1626 VanDerWaalsContact C-N 3.34Å; L1624-A1626 PolarHBondContact O-N 3.44Å; A1626-C1628 VanDerWaalsContact C-N 3.34Å; A1626-C1628 PolarHBondContact O-N 3.04Å; A1626-F1629 PolarHBondContact O-N 3.28Å; A1626-V1630 WeakPolarHBondContact O-CG2 3.07Å; A1626-V1630 PolarHBondContact O-N 3.42Å; A1626-M1660 HydrophobicContact CB-CB 4.11Å; A1626-D1661 HydrophobicContact CB-CB 3.92Å |
| 1627 | K | 82.9 | Confident | 76.3 | Confident | 123 Ų | 123 | 48.8 Ų | 48.8 | 54% | 0.535 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 175.5 | -73.4 | 171.2 | -176.5 | 170.5 | 0 | 113.1 | K1623 L1624 K1625 V1630 K1631 | K1623-K1627 WeakPolarHBondContact O-CG 3.28Å; K1623-K1627 PolarHBondContact O-N 3.24Å; L1624-K1627 WeakPolarHBondContact O-CB 3.31Å; L1624-K1627 PolarHBondContact O-N 3.41Å; L1624-K1627 VanDerWaalsContact O-N 3.16Å; K1625-K1627 VanDerWaalsContact C-N 3.35Å; K1625-K1627 PolarHBondContact O-N 3.22Å; K1627-V1630 PolarHBondContact O-N 3.19Å; K1627-K1631 PolarHBondContact O-N 3.39Å |
| 1628 | C | 83.3 | Confident | 77 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 176.5 | -64.5 | 0 | 0 | 0 | 0 | 110.3 | L1604 L1608 L1624 K1625 A1626 V1630 K1631 L1632 | L1604-C1628 HydrophobicContact CD1-CB 4.37Å; L1608-C1628 HydrophobicContact CD1-CB 4.13Å; L1608-C1628 HydrophobicContact CD2-CB 4.21Å; L1608-C1628 HydrophobicContact CG-CB 4.18Å; L1624-C1628 PolarHBondContact O-N 3.03Å; L1624-C1628 PolarHBondContact O-SG 3.33Å; K1625-C1628 WeakPolarHBondContact O-CB 3.35Å; K1625-C1628 PolarHBondContact O-N 2.93Å; A1626-C1628 VanDerWaalsContact C-N 3.34Å; A1626-C1628 PolarHBondContact O-N 3.04Å; C1628-V1630 PolarHBondContact O-N 2.86Å; C1628-K1631 PolarHBondContact O-N 2.82Å; C1628-L1632 WeakPolarHBondContact O-CB 3.39Å; C1628-L1632 PolarHBondContact O-N 3.1Å |
| 1629 | F | 85.7 | Confident | 77.4 | Confident | 28 Ų | 28 | 50.2 Ų | 50.2 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 176 | -79.9 | -59 | 0 | 0 | 0 | 113.3 | L1608 K1625 A1626 K1631 L1632 G1633 Y1653 F1656 A1657 | L1608-F1629 HydrophobicContact CD1-CD1 4.02Å; L1608-F1629 HydrophobicContact CD1-CE1 4Å; L1608-F1629 HydrophobicContact CD1-CZ 4.49Å; L1608-F1629 HydrophobicContact CD2-CD1 4.34Å; L1608-F1629 HydrophobicContact CD2-CD2 4Å; L1608-F1629 HydrophobicContact CD2-CE1 4Å; L1608-F1629 HydrophobicContact CD2-CE2 3.66Å; L1608-F1629 HydrophobicContact CD2-CG 4.33Å; L1608-F1629 HydrophobicContact CD2-CZ 3.66Å; K1625-F1629 HydrophobicContact CD-CE2 4.38Å; K1625-F1629 HydrophobicContact CG-CD2 4.27Å; K1625-F1629 HydrophobicContact CG-CE2 3.97Å; K1625-F1629 WeakPolarHBondContact O-CD2 3.15Å; K1625-F1629 PolarHBondContact O-N 3.07Å; A1626-F1629 PolarHBondContact O-N 3.28Å; F1629-K1631 PolarHBondContact O-N 3.12Å; F1629-L1632 PolarHBondContact O-N 2.84Å; F1629-G1633 PolarHBondContact O-N 3.02Å; F1629-Y1653 AromaticContact CD1-CD1 3.9Å; F1629-Y1653 HydrophobicContact CD1-CD1 3.9Å; F1629-Y1653 HydrophobicContact CD1-CG 4.43Å; F1629-Y1653 HydrophobicContact CE1-CD1 4.13Å; F1629-F1656 HydrophobicContact CD2-CB 4.36Å; F1629-F1656 HydrophobicContact CE2-CB 4.35Å; F1629-A1657 HydrophobicContact CB-CB 3.87Å |
| 1630 | V | 83.4 | Confident | 77.4 | Confident | 19 Ų | 19 | 47 Ų | 47 | 12% | 0.115 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 174.6 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | A1626 K1627 C1628 G1633 M1634 Y1654 A1657 P1667 | A1626-V1630 WeakPolarHBondContact O-CG2 3.07Å; A1626-V1630 PolarHBondContact O-N 3.42Å; K1627-V1630 PolarHBondContact O-N 3.19Å; C1628-V1630 PolarHBondContact O-N 2.86Å; V1630-G1633 PolarHBondContact O-N 3.19Å; V1630-M1634 HydrophobicContact CG1-CG 4.46Å; V1630-M1634 HydrophobicContact CG1-SD 4.32Å; V1630-M1634 WeakPolarHBondContact O-CG 3.38Å; V1630-M1634 PolarHBondContact O-N 3.05Å; V1630-Y1654 WeakPolarHBondContact O-CE1 3.47Å; V1630-A1657 HydrophobicContact CG2-CB 3.64Å; V1630-P1667 HydrophobicContact CG2-CB 4.17Å; V1630-P1667 HydrophobicContact CG2-CG 3.89Å |
| 1631 | K | 83 | Confident | 77 | Confident | 61 Ų | 61 | 47.5 Ų | 47.5 | 27% | 0.265 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.1 | -36.7 | 179.6 | -88.5 | -47.4 | -164.6 | -177.4 | 0 | 113.7 | Y1585 K1627 C1628 F1629 G1633 M1634 W1635 | Y1585-K1631 HydrophobicContact CE2-CB 4.4Å; Y1585-K1631 WeakPolarHBondContact OH-CG 3.44Å; K1627-K1631 PolarHBondContact O-N 3.39Å; C1628-K1631 PolarHBondContact O-N 2.82Å; F1629-K1631 PolarHBondContact O-N 3.12Å; K1631-G1633 VanDerWaalsContact C-N 3.31Å; K1631-G1633 PolarHBondContact O-N 2.91Å; K1631-M1634 HydrophobicContact CD-CB 4.36Å; K1631-M1634 HydrophobicContact CD-SD 3.9Å; K1631-M1634 PolarHBondContact NZ-SD 3.3Å; K1631-M1634 VanDerWaalsContact NZ-SD 3.38Å; K1631-M1634 PolarHBondContact O-N 3.03Å; K1631-W1635 HydrophobicContact CB-CZ2 4.45Å; K1631-W1635 WeakPolarHBondContact O-CB 2.96Å; K1631-W1635 PolarHBondContact O-N 3.18Å |
| 1632 | L | 82.8 | Confident | 76.4 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 174.6 | -150.7 | 123.3 | 0 | 0 | 0 | 110 | L1604 K1605 L1608 C1628 F1629 W1635 T1636 Y1653 | L1604-L1632 HydrophobicContact CB-CD1 3.92Å; L1604-L1632 HydrophobicContact CD2-CB 3.9Å; L1604-L1632 HydrophobicContact CD2-CD1 3.55Å; L1604-L1632 HydrophobicContact CD2-CG 4.1Å; L1604-L1632 HydrophobicContact CG-CD1 3.72Å; K1605-L1632 HydrophobicContact CG-CD1 3.69Å; K1605-L1632 HydrophobicContact CG-CD2 4.22Å; L1608-L1632 HydrophobicContact CD1-CD1 3.89Å; C1628-L1632 WeakPolarHBondContact O-CB 3.39Å; C1628-L1632 PolarHBondContact O-N 3.1Å; F1629-L1632 PolarHBondContact O-N 2.84Å; L1632-W1635 PolarHBondContact O-N 3.48Å; L1632-T1636 PolarHBondContact O-N 3.28Å; L1632-T1636 PolarHBondContact O-OG1 3.32Å; L1632-Y1653 HydrophobicContact CD2-CD1 4.19Å; L1632-Y1653 HydrophobicContact CD2-CD2 3.67Å; L1632-Y1653 HydrophobicContact CD2-CE1 3.9Å; L1632-Y1653 HydrophobicContact CD2-CE2 3.38Å; L1632-Y1653 HydrophobicContact CD2-CG 4.09Å; L1632-Y1653 VanDerWaalsContact CD2-CZ 3.49Å |
| 1633 | G | 81 | Confident | 75.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56 | -52.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1629 V1630 K1631 W1635 T1636 E1637 Y1654 | F1629-G1633 PolarHBondContact O-N 3.02Å; V1630-G1633 PolarHBondContact O-N 3.19Å; K1631-G1633 VanDerWaalsContact C-N 3.31Å; K1631-G1633 PolarHBondContact O-N 2.91Å; G1633-W1635 PolarHBondContact O-N 3.47Å; G1633-T1636 WeakPolarHBondContact CA-OG1 3.41Å; G1633-T1636 PolarHBondContact O-N 3.19Å; G1633-T1636 PolarHBondContact O-OG1 3.37Å; G1633-E1637 WeakPolarHBondContact O-CB 3.29Å; G1633-E1637 PolarHBondContact O-N 3.23Å; G1633-Y1654 VanDerWaalsContact C-OH 3.25Å |
| 1634 | M | 81.2 | Confident | 75 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 41% | 0.414 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | -179.4 | -73.2 | -175.3 | 76.9 | 0 | 0 | 112.9 | V1630 K1631 E1637 A1638 Y1654 | V1630-M1634 HydrophobicContact CG1-CG 4.46Å; V1630-M1634 HydrophobicContact CG1-SD 4.32Å; V1630-M1634 WeakPolarHBondContact O-CG 3.38Å; V1630-M1634 PolarHBondContact O-N 3.05Å; K1631-M1634 HydrophobicContact CD-CB 4.36Å; K1631-M1634 HydrophobicContact CD-SD 3.9Å; K1631-M1634 PolarHBondContact NZ-SD 3.3Å; K1631-M1634 VanDerWaalsContact NZ-SD 3.38Å; K1631-M1634 PolarHBondContact O-N 3.03Å; M1634-E1637 PolarHBondContact O-N 3.07Å; M1634-A1638 WeakPolarHBondContact O-CB 3.21Å; M1634-A1638 PolarHBondContact O-N 3.19Å; M1634-Y1654 VanDerWaalsContact CA-OH 3.25Å; M1634-Y1654 WeakPolarHBondContact CA-OH 3.44Å; M1634-Y1654 HydrophobicContact CG-CE1 4.32Å; M1634-Y1654 PolarHBondContact N-OH 3.47Å; M1634-Y1654 VanDerWaalsContact N-OH 3.08Å |
| 1635 | W | 81.1 | Confident | 74.5 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.4 | -38.8 | -178.2 | -63.7 | -18.6 | 0 | 0 | 0 | 112 | C1588 K1589 H1592 A1600 I1601 L1604 K1631 L1632 G1633 E1637 A1638 S1639 | C1588-W1635 HydrophobicContact CB-CH2 4.46Å; K1589-W1635 HydrophobicContact CB-CH2 4.46Å; K1589-W1635 HydrophobicContact CB-CZ2 4.47Å; K1589-W1635 HydrophobicContact CG-CH2 3.93Å; K1589-W1635 HydrophobicContact CG-CZ2 3.87Å; H1592-W1635 HydrophobicContact CB-CH2 4.15Å; H1592-W1635 HydrophobicContact CB-CZ2 4.07Å; H1592-W1635 AromaticContact CD2-CD1 3.55Å; H1592-W1635 AromaticContact CD2-CD2 3.81Å; H1592-W1635 AromaticContact CD2-CE2 3.21Å; H1592-W1635 AromaticContact CD2-CZ2 3.56Å; H1592-W1635 AromaticContact CD2-NE1 3.02Å; H1592-W1635 PolarHBondContact CD2-NE1 3.34Å; H1592-W1635 AromaticContact NE2-CD1 3.31Å; H1592-W1635 VanDerWaalsContact NE2-CD1 3.31Å; H1592-W1635 AromaticContact NE2-CE2 3.86Å; H1592-W1635 AromaticContact NE2-CG 3.94Å; H1592-W1635 AromaticContact NE2-NE1 3.25Å; H1592-W1635 PolarHBondContact NE2-NE1 2.95Å; A1600-W1635 HydrophobicContact CB-CZ3 4.17Å; I1601-W1635 HydrophobicContact CD1-CB 4.3Å; I1601-W1635 HydrophobicContact CG1-CB 4.27Å; I1601-W1635 HydrophobicContact CG1-CE3 4.28Å; L1604-W1635 HydrophobicContact CD2-CE3 4.01Å; L1604-W1635 HydrophobicContact CD2-CZ3 3.76Å; K1631-W1635 HydrophobicContact CB-CZ2 4.45Å; K1631-W1635 WeakPolarHBondContact O-CB 2.96Å; K1631-W1635 PolarHBondContact O-N 3.18Å; L1632-W1635 PolarHBondContact O-N 3.48Å; G1633-W1635 PolarHBondContact O-N 3.47Å; W1635-E1637 VanDerWaalsContact C-N 3.28Å; W1635-E1637 PolarHBondContact O-N 3.34Å; W1635-A1638 PolarHBondContact O-N 3.22Å; W1635-S1639 PolarHBondContact O-N 3.4Å; W1635-S1639 PolarHBondContact O-OG 3.33Å |
| 1636 | T | 79.7 | Confident | 73.8 | Confident | 33 Ų | 33 | 54.7 Ų | 54.7 | 20% | 0.202 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.2 | -25.3 | 172.4 | 48.2 | 0 | 0 | 0 | 0 | 113.4 | I1601 L1632 G1633 S1639 V1650 | I1601-T1636 HydrophobicContact CD1-CG2 4.46Å; I1601-T1636 HydrophobicContact CG2-CG2 4.49Å; L1632-T1636 PolarHBondContact O-N 3.28Å; L1632-T1636 PolarHBondContact O-OG1 3.32Å; G1633-T1636 WeakPolarHBondContact CA-OG1 3.41Å; G1633-T1636 PolarHBondContact O-N 3.19Å; G1633-T1636 PolarHBondContact O-OG1 3.37Å; T1636-S1639 WeakPolarHBondContact CA-OG 3.08Å; T1636-S1639 PolarHBondContact O-OG 3.31Å; T1636-V1650 WeakPolarHBondContact OG1-CG2 3.48Å |
| 1637 | E | 73.8 | Confident | 73.3 | Confident | 46 Ų | 46 | 57.1 Ų | 57.1 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -78.4 | -39.3 | 174.7 | -169.5 | 174.4 | -168.2 | 0 | 0 | 111.6 | G1633 M1634 W1635 S1639 R1640 V1650 Y1654 | G1633-E1637 WeakPolarHBondContact O-CB 3.29Å; G1633-E1637 PolarHBondContact O-N 3.23Å; M1634-E1637 PolarHBondContact O-N 3.07Å; W1635-E1637 VanDerWaalsContact C-N 3.28Å; W1635-E1637 PolarHBondContact O-N 3.34Å; E1637-S1639 VanDerWaalsContact C-N 3.3Å; E1637-S1639 PolarHBondContact O-N 3.2Å; E1637-R1640 WeakPolarHBondContact O-CB 3.39Å; E1637-R1640 PolarHBondContact O-N 3.07Å; E1637-R1640 VanDerWaalsContact O-N 3.13Å; E1637-V1650 HydrophobicContact CB-CG1 4.3Å; E1637-Y1654 PolarHBondContact OE2-OH 2.96Å |
| 1638 | A | 69.5 | Low | 72.9 | Confident | 81 Ų | 81 | 54.5 Ų | 54.5 | 67% | 0.669 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.6 | -28.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1634 W1635 R1640 | M1634-A1638 WeakPolarHBondContact O-CB 3.21Å; M1634-A1638 PolarHBondContact O-N 3.19Å; W1635-A1638 PolarHBondContact O-N 3.22Å; A1638-R1640 PolarHBondContact O-N 3.48Å |
| 1639 | S | 69.1 | Low | 72.7 | Confident | 73 Ų | 73 | 59 Ų | 59 | 51% | 0.51 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 1.3 | 174.2 | 31.6 | 0 | 0 | 0 | 0 | 113.2 | W1635 T1636 E1637 | W1635-S1639 PolarHBondContact O-N 3.4Å; W1635-S1639 PolarHBondContact O-OG 3.33Å; T1636-S1639 WeakPolarHBondContact CA-OG 3.08Å; T1636-S1639 PolarHBondContact O-OG 3.31Å; E1637-S1639 VanDerWaalsContact C-N 3.3Å; E1637-S1639 PolarHBondContact O-N 3.2Å |
| 1640 | R | 65.1 | Low | 72.3 | Confident | 58 Ų | 58 | 57.8 Ų | 57.8 | 22% | 0.219 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -85 | 138.3 | 179.6 | -158.5 | -168.7 | 94.5 | 179.7 | 4.9 | 112.2 | E1637 A1638 S1642 Q1644 P1645 V1646 | E1637-R1640 WeakPolarHBondContact O-CB 3.39Å; E1637-R1640 PolarHBondContact O-N 3.07Å; E1637-R1640 VanDerWaalsContact O-N 3.13Å; A1638-R1640 PolarHBondContact O-N 3.48Å; R1640-S1642 PolarHBondContact NH2-O 2.95Å; R1640-Q1644 HydrophobicContact CG-CB 4.24Å; R1640-Q1644 PolarHBondContact NE-O 2.91Å; R1640-Q1644 PolarHBondContact NH1-O 3.16Å; R1640-Q1644 VanDerWaalsContact NH1-O 3.08Å; R1640-Q1644 PolarHBondContact NH2-O 3.05Å; R1640-P1645 VanDerWaalsContact NH1-C 3.32Å; R1640-V1646 VanDerWaalsContact NH1-CA 3.34Å |
| 1641 | L | 56.2 | Low | 72.1 | Confident | 134 Ų | 134 | 58 Ų | 58 | 70% | 0.702 | 33% | 0.334 | S | S | * | . | trans | -72.1 | 140.6 | 162.3 | -76.3 | 147.1 | 0 | 0 | 0 | 110.3 | N1643 Q1644 | L1641-N1643 PolarHBondContact O-N 3.18Å; L1641-Q1644 PolarHBondContact O-N 3.34Å | ||
| 1642 | S | 56.6 | Low | 72.1 | Confident | 85 Ų | 85 | 60.3 Ų | 60.3 | 59% | 0.594 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.9 | -32.2 | -176.1 | -173.3 | 0 | 0 | 0 | 0 | 114.4 | R1640 Q1644 | R1640-S1642 PolarHBondContact NH2-O 2.95Å; S1642-Q1644 PolarHBondContact O-N 3.29Å |
| 1643 | N | 58.5 | Low | 72.3 | Confident | 132 Ų | 132 | 62.1 Ų | 62.1 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 7 | -169.2 | -66.6 | -1 | 0 | 0 | 0 | 116.6 | L1641 Y1681 | L1641-N1643 PolarHBondContact O-N 3.18Å; N1643-Y1681 WeakPolarHBondContact O-CE2 3.26Å; N1643-Y1681 PolarHBondContact O-OH 3.49Å |
| 1644 | Q | 63 | Low | 72.5 | Confident | 112 Ų | 112 | 62.3 Ų | 62.3 | 52% | 0.523 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -107.6 | 154.6 | 178.5 | -68.1 | -174.4 | -12.1 | 0 | 0 | 111.4 | R1640 L1641 S1642 | R1640-Q1644 HydrophobicContact CG-CB 4.24Å; R1640-Q1644 PolarHBondContact NE-O 2.91Å; R1640-Q1644 PolarHBondContact NH1-O 3.16Å; R1640-Q1644 VanDerWaalsContact NH1-O 3.08Å; R1640-Q1644 PolarHBondContact NH2-O 3.05Å; L1641-Q1644 PolarHBondContact O-N 3.34Å; S1642-Q1644 PolarHBondContact O-N 3.29Å |
| 1645 | P | 66.4 | Low | 72.7 | Confident | 51 Ų | 51 | 63 Ų | 63 | 33% | 0.331 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 158.5 | 171.9 | 26.5 | -31.9 | 0 | 0 | 0 | 111.4 | R1640 Y1681 | R1640-P1645 VanDerWaalsContact NH1-C 3.32Å; P1645-Y1681 HydrophobicContact CB-CD1 3.92Å; P1645-Y1681 HydrophobicContact CB-CE1 3.88Å; P1645-Y1681 HydrophobicContact CG-CE1 4.16Å |
| 1646 | V | 65.8 | Low | 72.8 | Confident | 9 Ų | 9 | 66.3 Ų | 66.3 | 6% | 0.055 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 127.2 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | R1640 A1648 V1650 M1651 A1674 N1677 S1678 | R1640-V1646 VanDerWaalsContact NH1-CA 3.34Å; V1646-A1648 PolarHBondContact O-N 3.44Å; V1646-V1650 HydrophobicContact CG1-CB 3.94Å; V1646-V1650 HydrophobicContact CG1-CG1 4.05Å; V1646-M1651 HydrophobicContact CB-CE 4Å; V1646-M1651 HydrophobicContact CG1-CE 4.38Å; V1646-M1651 HydrophobicContact CG1-CG 4.49Å; V1646-A1674 HydrophobicContact CG1-CB 4.36Å; V1646-N1677 HydrophobicContact CG2-CB 4.37Å; V1646-S1678 WeakPolarHBondContact CB-OG 3.4Å; V1646-S1678 VanDerWaalsContact CG2-OG 3.29Å; V1646-S1678 WeakPolarHBondContact CG2-OG 3.43Å |
| 1647 | P | 70.7 | Confident | 73 | Confident | 53 Ų | 53 | 64.7 Ų | 64.7 | 34% | 0.344 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 134.7 | -178.7 | -16.9 | 26.3 | 0 | 0 | 0 | 110.7 | N1649 V1650 | P1647-N1649 PolarHBondContact O-N 3.44Å; P1647-V1650 HydrophobicContact CB-CG2 4.04Å; P1647-V1650 HydrophobicContact CG-CG2 3.99Å; P1647-V1650 VanDerWaalsContact O-CB 3.31Å; P1647-V1650 WeakPolarHBondContact O-CB 3.17Å; P1647-V1650 PolarHBondContact O-N 3.13Å |
| 1648 | A | 75.2 | Confident | 73.4 | Confident | 69 Ų | 69 | 62.7 Ų | 62.7 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -54.5 | -31 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | V1646 V1650 M1651 Q1652 | V1646-A1648 PolarHBondContact O-N 3.44Å; A1648-V1650 VanDerWaalsContact C-N 3.29Å; A1648-V1650 PolarHBondContact O-N 3.22Å; A1648-M1651 PolarHBondContact O-N 3.28Å; A1648-Q1652 PolarHBondContact O-N 3.07Å |
| 1649 | N | 78 | Confident | 74 | Confident | 95 Ų | 95 | 64.4 Ų | 64.4 | 51% | 0.508 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.9 | -38.4 | 176.4 | -51.5 | -6.1 | 0 | 0 | 0 | 111.7 | P1647 Q1652 Y1653 | P1647-N1649 PolarHBondContact O-N 3.44Å; N1649-Q1652 WeakPolarHBondContact O-CB 3.45Å; N1649-Q1652 PolarHBondContact O-N 3.47Å; N1649-Y1653 HydrophobicContact CB-CE2 4.11Å; N1649-Y1653 WeakPolarHBondContact O-CD2 3.43Å; N1649-Y1653 WeakPolarHBondContact O-CE2 3.37Å; N1649-Y1653 PolarHBondContact O-N 3.41Å |
| 1650 | V | 78.7 | Confident | 74.5 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 178.9 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | T1636 E1637 V1646 P1647 A1648 Q1652 Y1653 Y1654 | T1636-V1650 WeakPolarHBondContact OG1-CG2 3.48Å; E1637-V1650 HydrophobicContact CB-CG1 4.3Å; V1646-V1650 HydrophobicContact CG1-CB 3.94Å; V1646-V1650 HydrophobicContact CG1-CG1 4.05Å; P1647-V1650 HydrophobicContact CB-CG2 4.04Å; P1647-V1650 HydrophobicContact CG-CG2 3.99Å; P1647-V1650 VanDerWaalsContact O-CB 3.31Å; P1647-V1650 WeakPolarHBondContact O-CB 3.17Å; P1647-V1650 PolarHBondContact O-N 3.13Å; A1648-V1650 VanDerWaalsContact C-N 3.29Å; A1648-V1650 PolarHBondContact O-N 3.22Å; V1650-Q1652 VanDerWaalsContact C-N 3.3Å; V1650-Q1652 PolarHBondContact O-N 2.95Å; V1650-Y1653 PolarHBondContact O-N 3.01Å; V1650-Y1654 HydrophobicContact CG1-CD2 3.92Å; V1650-Y1654 HydrophobicContact CG1-CE2 3.4Å; V1650-Y1654 WeakPolarHBondContact O-CD2 3.47Å; V1650-Y1654 PolarHBondContact O-N 3.23Å |
| 1651 | M | 79 | Confident | 75.2 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.7 | -39 | 175.7 | -65.9 | -175.6 | -172.7 | 0 | 0 | 111.5 | V1646 A1648 Y1654 K1655 L1671 A1674 S1678 | V1646-M1651 HydrophobicContact CB-CE 4Å; V1646-M1651 HydrophobicContact CG1-CE 4.38Å; V1646-M1651 HydrophobicContact CG1-CG 4.49Å; A1648-M1651 PolarHBondContact O-N 3.28Å; M1651-Y1654 PolarHBondContact O-N 3.39Å; M1651-K1655 VanDerWaalsContact O-CB 3.22Å; M1651-K1655 WeakPolarHBondContact O-CB 3.36Å; M1651-K1655 PolarHBondContact O-N 3.16Å; M1651-L1671 HydrophobicContact CB-CD1 4.42Å; M1651-A1674 HydrophobicContact CG-CB 4.25Å; M1651-S1678 WeakPolarHBondContact CE-OG 3.39Å |
| 1652 | Q | 83.4 | Confident | 76.3 | Confident | 108 Ų | 108 | 60 Ų | 60 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 173.1 | -84 | -177.4 | -11.1 | 0 | 0 | 112.1 | A1648 N1649 V1650 K1655 F1656 | A1648-Q1652 PolarHBondContact O-N 3.07Å; N1649-Q1652 WeakPolarHBondContact O-CB 3.45Å; N1649-Q1652 PolarHBondContact O-N 3.47Å; V1650-Q1652 VanDerWaalsContact C-N 3.3Å; V1650-Q1652 PolarHBondContact O-N 2.95Å; Q1652-K1655 PolarHBondContact O-N 3.32Å; Q1652-F1656 HydrophobicContact CB-CD2 4.49Å; Q1652-F1656 HydrophobicContact CB-CE2 4.15Å; Q1652-F1656 WeakPolarHBondContact O-CB 3.22Å; Q1652-F1656 WeakPolarHBondContact O-CD2 3.48Å; Q1652-F1656 WeakPolarHBondContact O-CG 3.41Å; Q1652-F1656 PolarHBondContact O-N 3.46Å |
| 1653 | Y | 86.4 | Confident | 77.4 | Confident | 40 Ų | 40 | 63.8 Ų | 63.8 | 16% | 0.157 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 176.4 | -58.9 | -41.4 | 0 | 0 | 0 | 111.9 | F1629 L1632 N1649 V1650 K1655 F1656 A1657 | F1629-Y1653 AromaticContact CD1-CD1 3.9Å; F1629-Y1653 HydrophobicContact CD1-CD1 3.9Å; F1629-Y1653 HydrophobicContact CD1-CG 4.43Å; F1629-Y1653 HydrophobicContact CE1-CD1 4.13Å; L1632-Y1653 HydrophobicContact CD2-CD1 4.19Å; L1632-Y1653 HydrophobicContact CD2-CD2 3.67Å; L1632-Y1653 HydrophobicContact CD2-CE1 3.9Å; L1632-Y1653 HydrophobicContact CD2-CE2 3.38Å; L1632-Y1653 HydrophobicContact CD2-CG 4.09Å; L1632-Y1653 VanDerWaalsContact CD2-CZ 3.49Å; N1649-Y1653 HydrophobicContact CB-CE2 4.11Å; N1649-Y1653 WeakPolarHBondContact O-CD2 3.43Å; N1649-Y1653 WeakPolarHBondContact O-CE2 3.37Å; N1649-Y1653 PolarHBondContact O-N 3.41Å; V1650-Y1653 PolarHBondContact O-N 3.01Å; Y1653-K1655 VanDerWaalsContact C-N 3.32Å; Y1653-K1655 PolarHBondContact O-N 3.14Å; Y1653-F1656 PolarHBondContact O-N 3.22Å; Y1653-A1657 WeakPolarHBondContact O-CB 3.24Å; Y1653-A1657 PolarHBondContact O-N 3.4Å |
| 1654 | Y | 85 | Confident | 78.3 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 176.4 | -64.8 | -37.1 | 0 | 0 | 0 | 112.4 | V1630 G1633 M1634 E1637 V1650 M1651 A1657 A1658 A1670 A1674 | V1630-Y1654 WeakPolarHBondContact O-CE1 3.47Å; G1633-Y1654 VanDerWaalsContact C-OH 3.25Å; M1634-Y1654 VanDerWaalsContact CA-OH 3.25Å; M1634-Y1654 WeakPolarHBondContact CA-OH 3.44Å; M1634-Y1654 HydrophobicContact CG-CE1 4.32Å; M1634-Y1654 PolarHBondContact N-OH 3.47Å; M1634-Y1654 VanDerWaalsContact N-OH 3.08Å; E1637-Y1654 PolarHBondContact OE2-OH 2.96Å; V1650-Y1654 HydrophobicContact CG1-CD2 3.92Å; V1650-Y1654 HydrophobicContact CG1-CE2 3.4Å; V1650-Y1654 WeakPolarHBondContact O-CD2 3.47Å; V1650-Y1654 PolarHBondContact O-N 3.23Å; M1651-Y1654 PolarHBondContact O-N 3.39Å; Y1654-A1657 WeakPolarHBondContact O-CB 3.48Å; Y1654-A1657 PolarHBondContact O-N 2.97Å; Y1654-A1658 WeakPolarHBondContact O-CB 3.43Å; Y1654-A1658 PolarHBondContact O-N 3.28Å; Y1654-A1670 HydrophobicContact CD1-CB 3.94Å; Y1654-A1670 HydrophobicContact CD2-CB 4.31Å; Y1654-A1670 HydrophobicContact CE1-CB 3.91Å; Y1654-A1670 HydrophobicContact CE2-CB 4.27Å; Y1654-A1670 HydrophobicContact CG-CB 4.15Å; Y1654-A1674 HydrophobicContact CD2-CB 4Å; Y1654-A1674 HydrophobicContact CE2-CB 4.04Å |
| 1655 | K | 84.7 | Confident | 79.2 | Confident | 99 Ų | 99 | 56.2 Ų | 56.2 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.3 | -47.5 | 175.8 | -173 | 176.8 | 178 | -179 | 0 | 111.8 | M1651 Q1652 Y1653 A1657 A1658 E1659 L1671 | M1651-K1655 VanDerWaalsContact O-CB 3.22Å; M1651-K1655 WeakPolarHBondContact O-CB 3.36Å; M1651-K1655 PolarHBondContact O-N 3.16Å; Q1652-K1655 PolarHBondContact O-N 3.32Å; Y1653-K1655 VanDerWaalsContact C-N 3.32Å; Y1653-K1655 PolarHBondContact O-N 3.14Å; K1655-A1657 VanDerWaalsContact C-N 3.26Å; K1655-A1657 PolarHBondContact O-N 3.12Å; K1655-A1658 PolarHBondContact O-N 2.97Å; K1655-A1658 VanDerWaalsContact O-N 3.14Å; K1655-E1659 WeakPolarHBondContact CE-OE1 3.4Å; K1655-E1659 WeakPolarHBondContact O-CG 3.42Å; K1655-E1659 PolarHBondContact O-N 3.25Å; K1655-L1671 HydrophobicContact CB-CD1 4.35Å; K1655-L1671 HydrophobicContact CB-CD2 4.28Å |
| 1656 | F | 84 | Confident | 79.8 | Confident | 85 Ų | 85 | 60.9 Ų | 60.9 | 37% | 0.373 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 174.2 | -68.5 | -43.6 | 0 | 0 | 0 | 111.8 | F1629 Q1652 Y1653 E1659 M1660 | F1629-F1656 HydrophobicContact CD2-CB 4.36Å; F1629-F1656 HydrophobicContact CE2-CB 4.35Å; Q1652-F1656 HydrophobicContact CB-CD2 4.49Å; Q1652-F1656 HydrophobicContact CB-CE2 4.15Å; Q1652-F1656 WeakPolarHBondContact O-CB 3.22Å; Q1652-F1656 WeakPolarHBondContact O-CD2 3.48Å; Q1652-F1656 WeakPolarHBondContact O-CG 3.41Å; Q1652-F1656 PolarHBondContact O-N 3.46Å; Y1653-F1656 PolarHBondContact O-N 3.22Å; F1656-E1659 PolarHBondContact O-N 3.49Å; F1656-M1660 WeakPolarHBondContact O-CB 3.18Å; F1656-M1660 WeakPolarHBondContact O-CG 3.31Å; F1656-M1660 PolarHBondContact O-N 3.08Å |
| 1657 | A | 83.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1629 V1630 Y1653 Y1654 K1655 M1660 D1661 P1667 | F1629-A1657 HydrophobicContact CB-CB 3.87Å; V1630-A1657 HydrophobicContact CG2-CB 3.64Å; Y1653-A1657 WeakPolarHBondContact O-CB 3.24Å; Y1653-A1657 PolarHBondContact O-N 3.4Å; Y1654-A1657 WeakPolarHBondContact O-CB 3.48Å; Y1654-A1657 PolarHBondContact O-N 2.97Å; K1655-A1657 VanDerWaalsContact C-N 3.26Å; K1655-A1657 PolarHBondContact O-N 3.12Å; A1657-M1660 PolarHBondContact O-N 3.18Å; A1657-D1661 PolarHBondContact O-N 3.49Å; A1657-D1661 VanDerWaalsContact O-N 3.11Å; A1657-P1667 HydrophobicContact CB-CB 4.02Å; A1657-P1667 HydrophobicContact CB-CG 4.35Å |
| 1658 | A | 82.5 | Confident | 81.3 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.8 | -35.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1654 K1655 D1661 P1662 P1667 W1668 | Y1654-A1658 WeakPolarHBondContact O-CB 3.43Å; Y1654-A1658 PolarHBondContact O-N 3.28Å; K1655-A1658 PolarHBondContact O-N 2.97Å; K1655-A1658 VanDerWaalsContact O-N 3.14Å; A1658-D1661 CarbonylContact O-C 3.6Å; A1658-P1662 WeakPolarHBondContact O-CA 3.45Å; A1658-P1667 HydrophobicContact CB-CB 3.94Å; A1658-W1668 HydrophobicContact CB-CD2 4.1Å; A1658-W1668 HydrophobicContact CB-CG 4.43Å; A1658-W1668 HydrophobicContact CB-CZ2 4.28Å |
| 1659 | E | 82.9 | Confident | 81.7 | Confident | 117 Ų | 117 | 59.2 Ų | 59.2 | 55% | 0.547 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.9 | -33.7 | 174.9 | -72.2 | 175.7 | -176.2 | 0 | 0 | 112.2 | K1655 F1656 | K1655-E1659 WeakPolarHBondContact CE-OE1 3.4Å; K1655-E1659 WeakPolarHBondContact O-CG 3.42Å; K1655-E1659 PolarHBondContact O-N 3.25Å; F1656-E1659 PolarHBondContact O-N 3.49Å |
| 1660 | M | 79.5 | Confident | 81.8 | Confident | 70 Ų | 70 | 55.4 Ų | 55.4 | 35% | 0.345 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -75.5 | -34.7 | 179.4 | -67.3 | -97.3 | 156.8 | 0 | 0 | 113 | L1622 K1625 A1626 F1656 A1657 | L1622-M1660 HydrophobicContact CD2-CB 4.13Å; L1622-M1660 HydrophobicContact CD2-CG 4.42Å; L1622-M1660 HydrophobicContact CD2-SD 3.49Å; L1622-M1660 WeakPolarHBondContact CD2-SD 2.87Å; K1625-M1660 HydrophobicContact CD-SD 4.21Å; A1626-M1660 HydrophobicContact CB-CB 4.11Å; F1656-M1660 WeakPolarHBondContact O-CB 3.18Å; F1656-M1660 WeakPolarHBondContact O-CG 3.31Å; F1656-M1660 PolarHBondContact O-N 3.08Å; A1657-M1660 PolarHBondContact O-N 3.18Å |
| 1661 | D | 79.2 | Confident | 82 | Confident | 28 Ų | 28 | 56 Ų | 56 | 15% | 0.15 | 27% | 0.267 | C | S | . | . | trans | -129.8 | 82.7 | 176.7 | -167.3 | -5.7 | 0 | 0 | 0 | 110.9 | A1626 A1657 A1658 E1663 A1664 | A1626-D1661 HydrophobicContact CB-CB 3.92Å; A1657-D1661 PolarHBondContact O-N 3.49Å; A1657-D1661 VanDerWaalsContact O-N 3.11Å; A1658-D1661 CarbonylContact O-C 3.6Å; D1661-E1663 PolarHBondContact O-N 2.93Å; D1661-A1664 HydrophobicContact CB-CB 4.01Å; D1661-A1664 VanDerWaalsContact CG-CB 3.44Å; D1661-A1664 PolarHBondContact O-N 2.7Å; D1661-A1664 PolarHBondContact OD1-N 3.1Å; D1661-A1664 WeakPolarHBondContact OD2-CB 3.28Å | ||
| 1662 | P | 79.8 | Confident | 82.2 | Confident | 76 Ų | 76 | 54.8 Ų | 54.8 | 49% | 0.494 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -23 | -174.2 | -21.3 | 32.9 | 0 | 0 | 0 | 114 | A1658 W1668 L1737 | A1658-P1662 WeakPolarHBondContact O-CA 3.45Å; P1662-W1668 PolarHBondContact O-NE1 3.08Å; P1662-L1737 WeakPolarHBondContact O-CD1 3.38Å |
| 1663 | E | 80.3 | Confident | 82 | Confident | 163 Ų | 163 | 50.2 Ų | 50.2 | 76% | 0.762 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -13.9 | -179.4 | -64 | -163.8 | 161.5 | 0 | 0 | 112.8 | D1661 Y1665 | D1661-E1663 PolarHBondContact O-N 2.93Å; E1663-Y1665 PolarHBondContact O-N 3.03Å |
| 1664 | A | 76.4 | Confident | 81.7 | Confident | 23 Ų | 23 | 48.3 Ų | 48.3 | 19% | 0.19 | 23% | 0.234 | C | C | . | . | trans | -77.6 | 123.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1661 P1667 W1668 | D1661-A1664 HydrophobicContact CB-CB 4.01Å; D1661-A1664 VanDerWaalsContact CG-CB 3.44Å; D1661-A1664 PolarHBondContact O-N 2.7Å; D1661-A1664 PolarHBondContact OD1-N 3.1Å; D1661-A1664 WeakPolarHBondContact OD2-CB 3.28Å; A1664-P1667 HydrophobicContact CB-CG 3.92Å; A1664-P1667 WeakPolarHBondContact O-CD 3.49Å; A1664-W1668 VanDerWaalsContact O-CD1 3.31Å | ||
| 1665 | Y | 82.4 | Confident | 81.5 | Confident | 63 Ų | 63 | 48.2 Ų | 48.2 | 25% | 0.247 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.1 | -47 | 175.4 | 153.4 | -104.2 | 0 | 0 | 0 | 113.6 | E1663 W1668 H1669 C1738 | E1663-Y1665 PolarHBondContact O-N 3.03Å; Y1665-W1668 PolarHBondContact O-N 3.03Å; Y1665-H1669 HydrophobicContact CD2-CB 4.2Å; Y1665-H1669 HydrophobicContact CE2-CB 3.69Å; Y1665-H1669 AromaticContact CZ-CG 3.85Å; Y1665-H1669 WeakPolarHBondContact O-CB 3.37Å; Y1665-H1669 PolarHBondContact O-N 3.34Å; Y1665-H1669 PolarHBondContact OH-ND1 3.43Å; Y1665-C1738 HydrophobicContact CD2-CB 4.3Å |
| 1666 | K | 79.5 | Confident | 81.3 | Confident | 149 Ų | 149 | 44 Ų | 44 | 65% | 0.648 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -60.2 | -44.4 | -169.2 | -71.4 | -173.3 | 176.8 | -172.9 | 0 | 114.8 | H1669 A1670 | K1666-H1669 PolarHBondContact O-N 3.24Å; K1666-A1670 WeakPolarHBondContact O-CB 3.25Å; K1666-A1670 PolarHBondContact O-N 2.96Å |
| 1667 | P | 82.8 | Confident | 80.9 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 4% | 0.039 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 175.5 | -23 | 30.5 | 0 | 0 | 0 | 113.4 | V1630 A1657 A1658 A1664 A1670 L1671 | V1630-P1667 HydrophobicContact CG2-CB 4.17Å; V1630-P1667 HydrophobicContact CG2-CG 3.89Å; A1657-P1667 HydrophobicContact CB-CB 4.02Å; A1657-P1667 HydrophobicContact CB-CG 4.35Å; A1658-P1667 HydrophobicContact CB-CB 3.94Å; A1664-P1667 HydrophobicContact CB-CG 3.92Å; A1664-P1667 WeakPolarHBondContact O-CD 3.49Å; P1667-A1670 PolarHBondContact O-N 3.46Å; P1667-L1671 WeakPolarHBondContact O-CB 3.45Å; P1667-L1671 PolarHBondContact O-N 3.48Å |
| 1668 | W | 84.9 | Confident | 80.6 | Confident | 53 Ų | 53 | 42.4 Ų | 42.4 | 20% | 0.201 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | 178.9 | -74.3 | 104.8 | 0 | 0 | 0 | 111.8 | A1658 P1662 A1664 Y1665 L1671 A1672 C1730 R1733 L1737 | A1658-W1668 HydrophobicContact CB-CD2 4.1Å; A1658-W1668 HydrophobicContact CB-CG 4.43Å; A1658-W1668 HydrophobicContact CB-CZ2 4.28Å; P1662-W1668 PolarHBondContact O-NE1 3.08Å; A1664-W1668 VanDerWaalsContact O-CD1 3.31Å; Y1665-W1668 PolarHBondContact O-N 3.03Å; W1668-L1671 PolarHBondContact O-N 3.29Å; W1668-A1672 WeakPolarHBondContact O-CB 3.29Å; W1668-A1672 PolarHBondContact O-N 3Å; W1668-C1730 HydrophobicContact CE3-CB 4.25Å; W1668-R1733 HydrophobicContact CD2-CB 4.17Å; W1668-R1733 HydrophobicContact CD2-CG 4.04Å; W1668-R1733 HydrophobicContact CE3-CB 4.06Å; W1668-R1733 HydrophobicContact CE3-CG 4.26Å; W1668-R1733 HydrophobicContact CG-CG 4.5Å; W1668-R1733 HydrophobicContact CZ2-CG 4.32Å; W1668-R1733 HydrophobicContact CZ3-CB 4.47Å; W1668-R1733 HydrophobicContact CZ3-CG 4.5Å; W1668-L1737 HydrophobicContact CG-CD1 4.29Å |
| 1669 | H | 83.4 | Confident | 80.4 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 17% | 0.167 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61 | -48.2 | 174.9 | 172.5 | 82.8 | 0 | 0 | 0 | 111.8 | Y1665 K1666 L1671 A1672 C1673 D1745 | Y1665-H1669 HydrophobicContact CD2-CB 4.2Å; Y1665-H1669 HydrophobicContact CE2-CB 3.69Å; Y1665-H1669 AromaticContact CZ-CG 3.85Å; Y1665-H1669 WeakPolarHBondContact O-CB 3.37Å; Y1665-H1669 PolarHBondContact O-N 3.34Å; Y1665-H1669 PolarHBondContact OH-ND1 3.43Å; K1666-H1669 PolarHBondContact O-N 3.24Å; H1669-L1671 PolarHBondContact O-N 3.01Å; H1669-A1672 WeakPolarHBondContact O-CB 3.38Å; H1669-A1672 PolarHBondContact O-N 3.15Å; H1669-C1673 VanDerWaalsContact CE1-SG 3.51Å; H1669-C1673 PolarHBondContact NE2-SG 3.32Å; H1669-C1673 WeakPolarHBondContact O-CB 3.25Å; H1669-C1673 PolarHBondContact O-N 3.08Å; H1669-C1673 PolarHBondContact O-SG 2.9Å; H1669-D1745 IonicContact CE1-OD1 3.89Å; H1669-D1745 PolarHBondContact CE1-OD1 3.34Å; H1669-D1745 IonicContact CG-OD1 2.82Å; H1669-D1745 IonicContact ND1-OD1 2.78Å; H1669-D1745 PolarHBondContact ND1-OD1 3.08Å; H1669-D1745 IonicContact ND1-OD2 2.72Å; H1669-D1745 PolarHBondContact ND1-OD2 3.4Å |
| 1670 | A | 79 | Confident | 80 | Confident | 16 Ų | 16 | 39 Ų | 39 | 13% | 0.132 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1654 K1666 P1667 C1673 A1674 | Y1654-A1670 HydrophobicContact CD1-CB 3.94Å; Y1654-A1670 HydrophobicContact CD2-CB 4.31Å; Y1654-A1670 HydrophobicContact CE1-CB 3.91Å; Y1654-A1670 HydrophobicContact CE2-CB 4.27Å; Y1654-A1670 HydrophobicContact CG-CB 4.15Å; K1666-A1670 WeakPolarHBondContact O-CB 3.25Å; K1666-A1670 PolarHBondContact O-N 2.96Å; P1667-A1670 PolarHBondContact O-N 3.46Å; A1670-C1673 PolarHBondContact O-N 3.04Å; A1670-A1674 WeakPolarHBondContact O-CB 3.13Å; A1670-A1674 PolarHBondContact O-N 3.27Å |
| 1671 | L | 84.8 | Confident | 79.8 | Confident | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.8 | -40.4 | 175.2 | -175.4 | 62.7 | 0 | 0 | 0 | 112.2 | M1651 K1655 P1667 W1668 H1669 N1675 | M1651-L1671 HydrophobicContact CB-CD1 4.42Å; K1655-L1671 HydrophobicContact CB-CD1 4.35Å; K1655-L1671 HydrophobicContact CB-CD2 4.28Å; P1667-L1671 WeakPolarHBondContact O-CB 3.45Å; P1667-L1671 PolarHBondContact O-N 3.48Å; W1668-L1671 PolarHBondContact O-N 3.29Å; H1669-L1671 PolarHBondContact O-N 3.01Å; L1671-N1675 PolarHBondContact O-N 3.02Å; L1671-N1675 VanDerWaalsContact O-N 3.15Å; L1671-N1675 PolarHBondContact O-ND2 3.08Å |
| 1672 | A | 82.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.7 | -45.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | W1668 H1669 N1675 F1676 C1730 F1731 | W1668-A1672 WeakPolarHBondContact O-CB 3.29Å; W1668-A1672 PolarHBondContact O-N 3Å; H1669-A1672 WeakPolarHBondContact O-CB 3.38Å; H1669-A1672 PolarHBondContact O-N 3.15Å; A1672-N1675 PolarHBondContact O-N 3.09Å; A1672-F1676 WeakPolarHBondContact O-CB 3.11Å; A1672-F1676 PolarHBondContact O-N 3.11Å; A1672-C1730 HydrophobicContact CB-CB 3.58Å; A1672-F1731 HydrophobicContact CB-CD1 3.58Å; A1672-F1731 HydrophobicContact CB-CD2 4Å; A1672-F1731 HydrophobicContact CB-CE1 3.58Å; A1672-F1731 HydrophobicContact CB-CE2 4.01Å; A1672-F1731 HydrophobicContact CB-CG 3.78Å; A1672-F1731 HydrophobicContact CB-CZ 3.79Å |
| 1673 | C | 77.8 | Confident | 79.4 | Confident | 13 Ų | 13 | 37.7 Ų | 37.7 | 9% | 0.088 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 177.7 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | H1669 A1670 N1675 F1676 N1677 R1748 | H1669-C1673 VanDerWaalsContact CE1-SG 3.51Å; H1669-C1673 PolarHBondContact NE2-SG 3.32Å; H1669-C1673 WeakPolarHBondContact O-CB 3.25Å; H1669-C1673 PolarHBondContact O-N 3.08Å; H1669-C1673 PolarHBondContact O-SG 2.9Å; A1670-C1673 PolarHBondContact O-N 3.04Å; C1673-N1675 VanDerWaalsContact C-N 3.33Å; C1673-N1675 PolarHBondContact O-N 3.4Å; C1673-F1676 PolarHBondContact O-N 3.35Å; C1673-N1677 WeakPolarHBondContact O-CB 3.5Å; C1673-N1677 VanDerWaalsContact O-CG 3.24Å; C1673-N1677 PolarHBondContact O-N 3.13Å; C1673-N1677 PolarHBondContact O-ND2 3.38Å; C1673-R1748 PolarHBondContact SG-NH1 3.27Å |
| 1674 | A | 80.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | V1646 M1651 Y1654 A1670 S1678 | V1646-A1674 HydrophobicContact CG1-CB 4.36Å; M1651-A1674 HydrophobicContact CG-CB 4.25Å; Y1654-A1674 HydrophobicContact CD2-CB 4Å; Y1654-A1674 HydrophobicContact CE2-CB 4.04Å; A1670-A1674 WeakPolarHBondContact O-CB 3.13Å; A1670-A1674 PolarHBondContact O-N 3.27Å; A1674-S1678 WeakPolarHBondContact O-CB 3.19Å; A1674-S1678 PolarHBondContact O-N 3.43Å; A1674-S1678 VanDerWaalsContact O-N 3.1Å; A1674-S1678 PolarHBondContact O-OG 3.18Å |
| 1675 | N | 81.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.9 | -42.8 | 173.9 | -82.6 | -66.3 | 0 | 0 | 0 | 111.7 | L1671 A1672 C1673 S1678 L1679 H1723 Q1726 A1727 | L1671-N1675 PolarHBondContact O-N 3.02Å; L1671-N1675 VanDerWaalsContact O-N 3.15Å; L1671-N1675 PolarHBondContact O-ND2 3.08Å; A1672-N1675 PolarHBondContact O-N 3.09Å; C1673-N1675 VanDerWaalsContact C-N 3.33Å; C1673-N1675 PolarHBondContact O-N 3.4Å; N1675-S1678 PolarHBondContact O-N 3.21Å; N1675-L1679 WeakPolarHBondContact O-CB 3.39Å; N1675-L1679 PolarHBondContact O-N 2.97Å; N1675-H1723 PolarHBondContact OD1-ND1 2.96Å; N1675-Q1726 PolarHBondContact OD1-OE1 3.41Å; N1675-A1727 HydrophobicContact CB-CB 4.1Å |
| 1676 | F | 79.2 | Confident | 78.1 | Confident | 11 Ų | 11 | 35 Ų | 35 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 177.5 | -175.4 | -103.9 | 0 | 0 | 0 | 113.1 | A1672 C1673 S1678 L1679 L1680 F1731 R1748 T1751 V1752 | A1672-F1676 WeakPolarHBondContact O-CB 3.11Å; A1672-F1676 PolarHBondContact O-N 3.11Å; C1673-F1676 PolarHBondContact O-N 3.35Å; F1676-S1678 VanDerWaalsContact C-N 3.31Å; F1676-S1678 PolarHBondContact O-N 3.13Å; F1676-L1679 HydrophobicContact CD2-CD2 4.45Å; F1676-L1679 WeakPolarHBondContact O-CB 3.35Å; F1676-L1679 PolarHBondContact O-N 3.33Å; F1676-L1680 HydrophobicContact CD1-CD1 3.85Å; F1676-L1680 HydrophobicContact CE1-CD1 3.44Å; F1676-L1680 VanDerWaalsContact CE1-CD1 3.44Å; F1676-L1680 HydrophobicContact CE1-CG 4.2Å; F1676-L1680 HydrophobicContact CZ-CD1 4.03Å; F1676-L1680 HydrophobicContact CZ-CG 4.37Å; F1676-L1680 PolarHBondContact O-N 2.87Å; F1676-F1731 HydrophobicContact CB-CE2 4.01Å; F1676-F1731 HydrophobicContact CB-CZ 4.16Å; F1676-F1731 HydrophobicContact CD2-CE2 4.27Å; F1676-F1731 HydrophobicContact CG-CE2 4.27Å; F1676-F1731 HydrophobicContact CG-CZ 4.42Å; F1676-R1748 HydrophobicContact CE1-CG 4.36Å; F1676-R1748 HydrophobicContact CZ-CG 4.5Å; F1676-T1751 HydrophobicContact CZ-CG2 4.39Å; F1676-V1752 HydrophobicContact CD2-CG2 3.56Å; F1676-V1752 HydrophobicContact CE2-CG2 3.6Å |
| 1677 | N | 76.4 | Confident | 77.5 | Confident | 50 Ų | 50 | 33.3 Ų | 33.3 | 27% | 0.267 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -66 | -36 | 176.2 | -71.1 | -15.4 | 0 | 0 | 0 | 111.6 | V1646 C1673 L1680 Y1681 | V1646-N1677 HydrophobicContact CG2-CB 4.37Å; C1673-N1677 WeakPolarHBondContact O-CB 3.5Å; C1673-N1677 VanDerWaalsContact O-CG 3.24Å; C1673-N1677 PolarHBondContact O-N 3.13Å; C1673-N1677 PolarHBondContact O-ND2 3.38Å; N1677-L1680 PolarHBondContact O-N 3.16Å; N1677-Y1681 WeakPolarHBondContact O-CB 3.24Å; N1677-Y1681 PolarHBondContact O-N 3.14Å |
| 1678 | S | 77.6 | Confident | 76.8 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.1 | -38.5 | 173.7 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | V1646 M1651 A1674 N1675 F1676 Y1681 Y1682 | V1646-S1678 WeakPolarHBondContact CB-OG 3.4Å; V1646-S1678 VanDerWaalsContact CG2-OG 3.29Å; V1646-S1678 WeakPolarHBondContact CG2-OG 3.43Å; M1651-S1678 WeakPolarHBondContact CE-OG 3.39Å; A1674-S1678 WeakPolarHBondContact O-CB 3.19Å; A1674-S1678 PolarHBondContact O-N 3.43Å; A1674-S1678 VanDerWaalsContact O-N 3.1Å; A1674-S1678 PolarHBondContact O-OG 3.18Å; N1675-S1678 PolarHBondContact O-N 3.21Å; F1676-S1678 VanDerWaalsContact C-N 3.31Å; F1676-S1678 PolarHBondContact O-N 3.13Å; S1678-Y1681 PolarHBondContact O-N 3.24Å; S1678-Y1682 WeakPolarHBondContact O-CD2 3.24Å; S1678-Y1682 PolarHBondContact O-N 3.31Å |
| 1679 | L | 77.5 | Confident | 75.8 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.2 | -49.1 | 172.3 | -164.1 | 88.8 | 0 | 0 | 0 | 111.6 | N1675 F1676 Y1682 K1683 I1720 H1723 A1724 V1752 Y1756 | N1675-L1679 WeakPolarHBondContact O-CB 3.39Å; N1675-L1679 PolarHBondContact O-N 2.97Å; F1676-L1679 HydrophobicContact CD2-CD2 4.45Å; F1676-L1679 WeakPolarHBondContact O-CB 3.35Å; F1676-L1679 PolarHBondContact O-N 3.33Å; L1679-Y1682 PolarHBondContact O-N 3.41Å; L1679-K1683 WeakPolarHBondContact O-CB 3.49Å; L1679-K1683 PolarHBondContact O-N 2.83Å; L1679-I1720 HydrophobicContact CD1-CB 4.39Å; L1679-I1720 HydrophobicContact CD1-CG2 3.84Å; L1679-I1720 WeakPolarHBondContact CD1-O 3.28Å; L1679-H1723 HydrophobicContact CD1-CB 4.04Å; L1679-A1724 HydrophobicContact CD1-CB 3.76Å; L1679-V1752 HydrophobicContact CD2-CG2 4.3Å; L1679-Y1756 HydrophobicContact CD2-CD2 3.85Å; L1679-Y1756 HydrophobicContact CD2-CE2 3.29Å; L1679-Y1756 HydrophobicContact CG-CE2 4.13Å |
| 1680 | L | 74.7 | Confident | 74.8 | Confident | 47 Ų | 47 | 38.8 Ų | 38.8 | 25% | 0.246 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 177.1 | -78.7 | 168.4 | 0 | 0 | 0 | 112.1 | F1676 N1677 Y1682 K1683 E1684 | F1676-L1680 HydrophobicContact CD1-CD1 3.85Å; F1676-L1680 HydrophobicContact CE1-CD1 3.44Å; F1676-L1680 VanDerWaalsContact CE1-CD1 3.44Å; F1676-L1680 HydrophobicContact CE1-CG 4.2Å; F1676-L1680 HydrophobicContact CZ-CD1 4.03Å; F1676-L1680 HydrophobicContact CZ-CG 4.37Å; F1676-L1680 PolarHBondContact O-N 2.87Å; N1677-L1680 PolarHBondContact O-N 3.16Å; L1680-Y1682 PolarHBondContact O-N 2.62Å; L1680-K1683 WeakPolarHBondContact O-CB 3.5Å; L1680-K1683 PolarHBondContact O-N 2.86Å; L1680-E1684 PolarHBondContact O-N 3.34Å |
| 1681 | Y | 75.9 | Confident | 73.8 | Confident | 48 Ų | 48 | 44.8 Ų | 44.8 | 19% | 0.188 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.1 | -48.8 | 176.8 | 174.9 | -99.6 | 0 | 0 | 0 | 112.1 | N1643 P1645 N1677 S1678 K1683 E1684 K1685 | N1643-Y1681 WeakPolarHBondContact O-CE2 3.26Å; N1643-Y1681 PolarHBondContact O-OH 3.49Å; P1645-Y1681 HydrophobicContact CB-CD1 3.92Å; P1645-Y1681 HydrophobicContact CB-CE1 3.88Å; P1645-Y1681 HydrophobicContact CG-CE1 4.16Å; N1677-Y1681 WeakPolarHBondContact O-CB 3.24Å; N1677-Y1681 PolarHBondContact O-N 3.14Å; S1678-Y1681 PolarHBondContact O-N 3.24Å; Y1681-K1683 VanDerWaalsContact C-N 3.27Å; Y1681-K1683 PolarHBondContact O-N 2.63Å; Y1681-E1684 PolarHBondContact O-N 3.18Å; Y1681-K1685 HydrophobicContact CE1-CD 4.23Å; Y1681-K1685 VanDerWaalsContact O-CB 3.31Å; Y1681-K1685 WeakPolarHBondContact O-CB 3.42Å; Y1681-K1685 PolarHBondContact O-N 3.27Å |
| 1682 | Y | 75.6 | Confident | 72.4 | Confident | 37 Ų | 37 | 46.4 Ų | 46.4 | 15% | 0.145 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.9 | -29.8 | 177.6 | -70.6 | -65 | 0 | 0 | 0 | 112.1 | S1678 L1679 L1680 N1686 L1719 | S1678-Y1682 WeakPolarHBondContact O-CD2 3.24Å; S1678-Y1682 PolarHBondContact O-N 3.31Å; L1679-Y1682 PolarHBondContact O-N 3.41Å; L1680-Y1682 PolarHBondContact O-N 2.62Å; Y1682-N1686 WeakPolarHBondContact O-CB 3.32Å; Y1682-N1686 PolarHBondContact O-N 3.06Å; Y1682-L1719 HydrophobicContact CE1-CD1 4.14Å; Y1682-L1719 HydrophobicContact CE2-CB 4.44Å |
| 1683 | K | 73.5 | Confident | 70.9 | Confident | 61 Ų | 61 | 49 Ų | 49 | 27% | 0.265 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.6 | -54.9 | 172 | -172.7 | -169.7 | -175.3 | 174.5 | 0 | 111.6 | L1679 L1680 Y1681 K1685 N1686 E1687 D1755 Y1756 | L1679-K1683 WeakPolarHBondContact O-CB 3.49Å; L1679-K1683 PolarHBondContact O-N 2.83Å; L1680-K1683 WeakPolarHBondContact O-CB 3.5Å; L1680-K1683 PolarHBondContact O-N 2.86Å; Y1681-K1683 VanDerWaalsContact C-N 3.27Å; Y1681-K1683 PolarHBondContact O-N 2.63Å; K1683-K1685 VanDerWaalsContact C-N 3.28Å; K1683-K1685 PolarHBondContact O-N 3.15Å; K1683-N1686 PolarHBondContact O-N 3.4Å; K1683-N1686 VanDerWaalsContact O-N 3.11Å; K1683-E1687 PolarHBondContact O-N 3.14Å; K1683-D1755 IonicContact NZ-OD2 3.56Å; K1683-D1755 PolarHBondContact NZ-OD2 2.91Å; K1683-Y1756 WeakPolarHBondContact CD-OH 3.49Å |
| 1684 | E | 70.6 | Confident | 69.6 | Low | 110 Ų | 110 | 54.7 Ų | 54.7 | 51% | 0.514 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.8 | -38.6 | 178.4 | -79.4 | -173.9 | 157.4 | 0 | 0 | 111.7 | L1680 Y1681 E1687 S1688 R2289 | L1680-E1684 PolarHBondContact O-N 3.34Å; Y1681-E1684 PolarHBondContact O-N 3.18Å; E1684-E1687 PolarHBondContact O-N 3.42Å; E1684-S1688 WeakPolarHBondContact O-CB 3.48Å; E1684-S1688 PolarHBondContact O-N 3.12Å; E1684-S1688 PolarHBondContact O-OG 3.35Å; E1684-R2289 IonicContact OE1-NH1 3.95Å |
| 1685 | K | 71.4 | Confident | 68 | Low | 76 Ų | 76 | 60.1 Ų | 60.1 | 33% | 0.33 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 174.7 | -165.2 | 177.8 | 178.4 | -174.8 | 0 | 111.7 | Y1681 K1683 S1688 L1689 | Y1681-K1685 HydrophobicContact CE1-CD 4.23Å; Y1681-K1685 VanDerWaalsContact O-CB 3.31Å; Y1681-K1685 WeakPolarHBondContact O-CB 3.42Å; Y1681-K1685 PolarHBondContact O-N 3.27Å; K1683-K1685 VanDerWaalsContact C-N 3.28Å; K1683-K1685 PolarHBondContact O-N 3.15Å; K1685-S1688 WeakPolarHBondContact CA-OG 3.31Å; K1685-S1688 PolarHBondContact O-OG 3.27Å; K1685-L1689 HydrophobicContact CG-CD1 4.17Å; K1685-L1689 WeakPolarHBondContact O-CB 3.49Å; K1685-L1689 WeakPolarHBondContact O-CD1 3.45Å; K1685-L1689 WeakPolarHBondContact O-CG 3.46Å; K1685-L1689 PolarHBondContact O-N 3.13Å |
| 1686 | N | 70.3 | Confident | 66.2 | Low | 8 Ų | 8 | 64.9 Ų | 64.9 | 4% | 0.043 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.1 | -38 | 175.1 | -106.8 | 6.3 | 0 | 0 | 0 | 112.5 | Y1682 K1683 K1690 T1713 N1716 D1717 | Y1682-N1686 WeakPolarHBondContact O-CB 3.32Å; Y1682-N1686 PolarHBondContact O-N 3.06Å; K1683-N1686 PolarHBondContact O-N 3.4Å; K1683-N1686 VanDerWaalsContact O-N 3.11Å; N1686-K1690 WeakPolarHBondContact O-CB 3.37Å; N1686-K1690 VanDerWaalsContact O-CG 3.27Å; N1686-K1690 WeakPolarHBondContact O-CG 3.4Å; N1686-K1690 PolarHBondContact O-N 3.48Å; N1686-T1713 WeakPolarHBondContact OD1-CG2 3.06Å; N1686-N1716 PolarHBondContact OD1-ND2 3.35Å; N1686-N1716 VanDerWaalsContact OD1-ND2 3.09Å; N1686-D1717 PolarHBondContact ND2-OD1 2.74Å |
| 1687 | E | 67.6 | Low | 64.5 | Low | 113 Ų | 113 | 70 Ų | 70 | 53% | 0.528 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.5 | -43.2 | 176.8 | -79.9 | -177.6 | 179.2 | 0 | 0 | 112.1 | K1683 E1684 K1690 Q1691 | K1683-E1687 PolarHBondContact O-N 3.14Å; E1684-E1687 PolarHBondContact O-N 3.42Å; E1687-K1690 PolarHBondContact O-N 3.39Å; E1687-Q1691 PolarHBondContact O-N 2.88Å |
| 1688 | S | 67.1 | Low | 62.8 | Low | 66 Ų | 66 | 72.8 Ų | 72.8 | 46% | 0.462 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 174 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | E1684 K1685 Q1691 S1692 | E1684-S1688 WeakPolarHBondContact O-CB 3.48Å; E1684-S1688 PolarHBondContact O-N 3.12Å; E1684-S1688 PolarHBondContact O-OG 3.35Å; K1685-S1688 WeakPolarHBondContact CA-OG 3.31Å; K1685-S1688 PolarHBondContact O-OG 3.27Å; S1688-Q1691 PolarHBondContact O-N 3.25Å; S1688-S1692 PolarHBondContact O-N 3.35Å |
| 1689 | L | 64.4 | Low | 60.8 | Low | 25 Ų | 25 | 80.9 Ų | 80.9 | 13% | 0.131 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 170.8 | -87.5 | 155.3 | 0 | 0 | 0 | 111.4 | K1685 Q1691 S1692 V1693 I1709 | K1685-L1689 HydrophobicContact CG-CD1 4.17Å; K1685-L1689 WeakPolarHBondContact O-CB 3.49Å; K1685-L1689 WeakPolarHBondContact O-CD1 3.45Å; K1685-L1689 WeakPolarHBondContact O-CG 3.46Å; K1685-L1689 PolarHBondContact O-N 3.13Å; L1689-Q1691 PolarHBondContact O-N 3.26Å; L1689-S1692 PolarHBondContact O-N 3.1Å; L1689-S1692 PolarHBondContact O-OG 2.5Å; L1689-V1693 WeakPolarHBondContact O-CG2 3.48Å; L1689-V1693 PolarHBondContact O-N 3.27Å; L1689-I1709 HydrophobicContact CD2-CG1 4.3Å; L1689-I1709 HydrophobicContact CD2-CG2 4.12Å |
| 1690 | K | 62.5 | Low | 59 | Low | 119 Ų | 119 | 87.5 Ų | 87.5 | 52% | 0.517 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.5 | -37.8 | 177 | -76.6 | 174.1 | -178.3 | 177.6 | 0 | 113 | N1686 E1687 V1693 L1694 | N1686-K1690 WeakPolarHBondContact O-CB 3.37Å; N1686-K1690 VanDerWaalsContact O-CG 3.27Å; N1686-K1690 WeakPolarHBondContact O-CG 3.4Å; N1686-K1690 PolarHBondContact O-N 3.48Å; E1687-K1690 PolarHBondContact O-N 3.39Å; K1690-V1693 PolarHBondContact O-N 2.98Å; K1690-L1694 PolarHBondContact O-N 3.33Å |
| 1691 | Q | 57.4 | Low | 57.2 | Low | 141 Ų | 141 | 89.6 Ų | 89.6 | 66% | 0.659 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.4 | -34.7 | 173.4 | -90.6 | -178.8 | -13.1 | 0 | 0 | 112.8 | E1687 S1688 L1689 V1693 L1694 T1695 | E1687-Q1691 PolarHBondContact O-N 2.88Å; S1688-Q1691 PolarHBondContact O-N 3.25Å; L1689-Q1691 PolarHBondContact O-N 3.26Å; Q1691-V1693 VanDerWaalsContact C-N 3.3Å; Q1691-V1693 PolarHBondContact O-N 3.37Å; Q1691-L1694 PolarHBondContact O-N 3.13Å; Q1691-T1695 PolarHBondContact O-N 3.02Å; Q1691-T1695 PolarHBondContact O-OG1 3.36Å |
| 1692 | S | 55.1 | Low | 55.5 | Low | 47 Ų | 47 | 93.1 Ų | 93.1 | 33% | 0.329 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.1 | -30.4 | 175.6 | 74.3 | 0 | 0 | 0 | 0 | 113 | S1688 L1689 T1695 T1696 | S1688-S1692 PolarHBondContact O-N 3.35Å; L1689-S1692 PolarHBondContact O-N 3.1Å; L1689-S1692 PolarHBondContact O-OG 2.5Å; S1692-T1695 WeakPolarHBondContact CA-OG1 3.46Å; S1692-T1695 PolarHBondContact O-OG1 2.65Å; S1692-T1696 PolarHBondContact O-OG1 3.42Å |
| 1693 | V | 53.1 | Low | 54.3 | Low | 55 Ų | 55 | 98 Ų | 98 | 33% | 0.333 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.9 | -33.1 | 173.8 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | L1689 K1690 Q1691 T1696 I1709 | L1689-V1693 WeakPolarHBondContact O-CG2 3.48Å; L1689-V1693 PolarHBondContact O-N 3.27Å; K1690-V1693 PolarHBondContact O-N 2.98Å; Q1691-V1693 VanDerWaalsContact C-N 3.3Å; Q1691-V1693 PolarHBondContact O-N 3.37Å; V1693-T1696 PolarHBondContact O-OG1 3.07Å; V1693-I1709 HydrophobicContact CG2-CD1 4.17Å; V1693-I1709 HydrophobicContact CG2-CG2 3.79Å |
| 1694 | L | 50.1 | Low | 53.2 | Low | 132 Ų | 132 | 98.7 Ų | 98.7 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -77.5 | -21.1 | 177.8 | -82.1 | 155.6 | 0 | 0 | 0 | 113.8 | K1690 Q1691 | K1690-L1694 PolarHBondContact O-N 3.33Å; Q1691-L1694 PolarHBondContact O-N 3.13Å |
| 1695 | T | 47 | Very low | 52.2 | Low | 113 Ų | 113 | 100.7 Ų | 100.7 | 69% | 0.693 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -93.2 | -8.6 | 179.7 | 36.5 | 0 | 0 | 0 | 0 | 113.7 | Q1691 S1692 | Q1691-T1695 PolarHBondContact O-N 3.02Å; Q1691-T1695 PolarHBondContact O-OG1 3.36Å; S1692-T1695 WeakPolarHBondContact CA-OG1 3.46Å; S1692-T1695 PolarHBondContact O-OG1 2.65Å |
| 1696 | T | 44.3 | Very low | 51.1 | Low | 100 Ų | 100 | 99.9 Ų | 99.9 | 61% | 0.613 | 57% | 0.57 | S | S | * | * | trans | -103.3 | 5.5 | -178.3 | 40.9 | 0 | 0 | 0 | 0 | 114.6 | S1692 V1693 S1698 | S1692-T1696 PolarHBondContact O-OG1 3.42Å; V1693-T1696 PolarHBondContact O-OG1 3.07Å; T1696-S1698 PolarHBondContact O-N 3.47Å | ||
| 1697 | T | 41.9 | Very low | 50.3 | Low | 118 Ų | 118 | 104.8 Ų | 104.8 | 72% | 0.724 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 40.2 | -179.1 | 53.4 | 0 | 0 | 0 | 0 | 115 | ||
| 1698 | S | 41.1 | Very low | 49.8 | Very low | 110 Ų | 110 | 105.8 Ų | 105.8 | 77% | 0.769 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.2 | 1.3 | 173.2 | 58.7 | 0 | 0 | 0 | 0 | 116.8 | T1696 | T1696-S1698 PolarHBondContact O-N 3.47Š|
| 1699 | E | 35.3 | Very low | 49.3 | Very low | 172 Ų | 172 | 103.7 Ų | 103.7 | 80% | 0.804 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -143.4 | 140.2 | 167.6 | -70.9 | -169.5 | 163.1 | 0 | 0 | 112.4 | A1701 | E1699-A1701 PolarHBondContact O-N 3.1Š|
| 1700 | P | 39.9 | Very low | 48.9 | Very low | 139 Ų | 139 | 107.5 Ų | 107.5 | 90% | 0.903 | 60% | 0.604 | S | S | * | * | trans | -91.7 | 93.9 | -178.3 | 35.1 | -28.2 | 0 | 0 | 0 | 110.4 | ||||
| 1701 | A | 36.1 | Very low | 48.6 | Very low | 91 Ų | 91 | 104.3 Ų | 104.3 | 75% | 0.752 | 60% | 0.599 | S | S | * | * | trans | -151.3 | 131.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1699 | E1699-A1701 PolarHBondContact O-N 3.1Š| ||
| 1702 | D | 41.4 | Very low | 48.7 | Very low | 122 Ų | 122 | 101.9 Ų | 101.9 | 65% | 0.652 | 59% | 0.588 | S | S | * | * | trans | 74 | 85 | 170.9 | -65.7 | -13 | 0 | 0 | 0 | 120.1 | S1704 F1705 | D1702-S1704 PolarHBondContact O-N 2.88Å; D1702-F1705 PolarHBondContact O-N 2.96Å; D1702-F1705 VanDerWaalsContact O-N 3.13Å | ||
| 1703 | N | 50.4 | Low | 48.9 | Very low | 140 Ų | 140 | 100.5 Ų | 100.5 | 75% | 0.749 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -52.8 | -19.8 | 163.7 | -82.4 | -13 | 0 | 0 | 0 | 114.2 | F1705 D1707 | N1703-F1705 VanDerWaalsContact C-N 3.32Å; N1703-F1705 PolarHBondContact O-N 2.81Å; N1703-D1707 PolarHBondContact O-N 3.14Å; N1703-D1707 VanDerWaalsContact O-N 3.16Å |
| 1704 | S | 49.3 | Very low | 49.3 | Very low | 76 Ų | 76 | 105.2 Ų | 105.2 | 53% | 0.531 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.3 | -24.9 | 177.4 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | D1702 H1708 | D1702-S1704 PolarHBondContact O-N 2.88Å; S1704-H1708 PolarHBondContact O-N 3.35Å |
| 1705 | F | 49.6 | Very low | 49.9 | Very low | 151 Ų | 151 | 103 Ų | 103 | 66% | 0.662 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -77.8 | -40.1 | 177.9 | -155.2 | -102.8 | 0 | 0 | 0 | 111.2 | D1702 N1703 H1708 I1709 | D1702-F1705 PolarHBondContact O-N 2.96Å; D1702-F1705 VanDerWaalsContact O-N 3.13Å; N1703-F1705 VanDerWaalsContact C-N 3.32Å; N1703-F1705 PolarHBondContact O-N 2.81Å; F1705-H1708 PolarHBondContact O-N 3.48Å; F1705-I1709 HydrophobicContact CD1-CD1 3.51Å; F1705-I1709 HydrophobicContact CD1-CG1 4.43Å; F1705-I1709 HydrophobicContact CE1-CD1 3.56Å; F1705-I1709 HydrophobicContact CE1-CG1 4.48Å; F1705-I1709 HydrophobicContact CG-CD1 4.48Å; F1705-I1709 VanDerWaalsContact O-CG1 3.29Å; F1705-I1709 WeakPolarHBondContact O-CG1 3.45Å; F1705-I1709 PolarHBondContact O-N 2.5Å |
| 1706 | S | 50.1 | Low | 50.9 | Low | 60 Ų | 60 | 98.2 Ų | 98.2 | 42% | 0.42 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.8 | -39.1 | 172.7 | -65.9 | 0 | 0 | 0 | 0 | 112.7 | I1709 L1710 | S1706-I1709 PolarHBondContact O-N 2.83Å; S1706-L1710 VanDerWaalsContact O-CB 3.29Å; S1706-L1710 WeakPolarHBondContact O-CB 3.36Å; S1706-L1710 WeakPolarHBondContact O-CD1 3.47Å; S1706-L1710 VanDerWaalsContact O-CG 3.32Å; S1706-L1710 WeakPolarHBondContact O-CG 3.41Å; S1706-L1710 PolarHBondContact O-N 3.09Å |
| 1707 | D | 53.3 | Low | 52.1 | Low | 110 Ų | 110 | 96.9 Ų | 96.9 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.6 | -36.9 | 175.8 | -83 | -19 | 0 | 0 | 0 | 112.4 | N1703 L1710 A1711 | N1703-D1707 PolarHBondContact O-N 3.14Å; N1703-D1707 VanDerWaalsContact O-N 3.16Å; D1707-L1710 PolarHBondContact O-N 2.92Å; D1707-A1711 VanDerWaalsContact O-CB 3.29Å; D1707-A1711 WeakPolarHBondContact O-CB 3.43Å; D1707-A1711 PolarHBondContact O-N 3.41Å |
| 1708 | H | 56.4 | Low | 53.7 | Low | 135 Ų | 135 | 97 Ų | 97 | 63% | 0.625 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.4 | -40.2 | 174.1 | -117 | -71.8 | 0 | 0 | 0 | 112.3 | S1704 F1705 A1711 E1712 | S1704-H1708 PolarHBondContact O-N 3.35Å; F1705-H1708 PolarHBondContact O-N 3.48Å; H1708-A1711 PolarHBondContact O-N 2.92Å; H1708-E1712 WeakPolarHBondContact O-CB 3.28Å; H1708-E1712 PolarHBondContact O-N 3.16Å |
| 1709 | I | 55.6 | Low | 55.4 | Low | 21 Ų | 21 | 94.2 Ų | 94.2 | 11% | 0.108 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -69.8 | -37.4 | 175.9 | -67.5 | 167.6 | 0 | 0 | 0 | 111.1 | L1689 V1693 F1705 S1706 E1712 T1713 | L1689-I1709 HydrophobicContact CD2-CG1 4.3Å; L1689-I1709 HydrophobicContact CD2-CG2 4.12Å; V1693-I1709 HydrophobicContact CG2-CD1 4.17Å; V1693-I1709 HydrophobicContact CG2-CG2 3.79Å; F1705-I1709 HydrophobicContact CD1-CD1 3.51Å; F1705-I1709 HydrophobicContact CD1-CG1 4.43Å; F1705-I1709 HydrophobicContact CE1-CD1 3.56Å; F1705-I1709 HydrophobicContact CE1-CG1 4.48Å; F1705-I1709 HydrophobicContact CG-CD1 4.48Å; F1705-I1709 VanDerWaalsContact O-CG1 3.29Å; F1705-I1709 WeakPolarHBondContact O-CG1 3.45Å; F1705-I1709 PolarHBondContact O-N 2.5Å; S1706-I1709 PolarHBondContact O-N 2.83Å; I1709-E1712 PolarHBondContact O-N 2.91Å; I1709-T1713 HydrophobicContact CG2-CG2 4.46Å; I1709-T1713 WeakPolarHBondContact O-CB 3.46Å; I1709-T1713 VanDerWaalsContact O-CG2 3.3Å; I1709-T1713 WeakPolarHBondContact O-CG2 3.48Å; I1709-T1713 PolarHBondContact O-N 3.11Å; I1709-T1713 PolarHBondContact O-OG1 3.21Å |
| 1710 | L | 56.5 | Low | 57.4 | Low | 106 Ų | 106 | 86.5 Ų | 86.5 | 56% | 0.555 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.4 | -34.1 | 173.3 | -80.4 | 162 | 0 | 0 | 0 | 112.4 | S1706 D1707 T1713 K1714 | S1706-L1710 VanDerWaalsContact O-CB 3.29Å; S1706-L1710 WeakPolarHBondContact O-CB 3.36Å; S1706-L1710 WeakPolarHBondContact O-CD1 3.47Å; S1706-L1710 VanDerWaalsContact O-CG 3.32Å; S1706-L1710 WeakPolarHBondContact O-CG 3.41Å; S1706-L1710 PolarHBondContact O-N 3.09Å; D1707-L1710 PolarHBondContact O-N 2.92Å; L1710-T1713 WeakPolarHBondContact CA-OG1 3.43Å; L1710-T1713 PolarHBondContact O-OG1 2.9Å; L1710-K1714 WeakPolarHBondContact O-CB 3.3Å; L1710-K1714 PolarHBondContact O-N 3.06Å; L1710-K1714 VanDerWaalsContact O-N 3.14Å |
| 1711 | A | 57.3 | Low | 59.3 | Low | 51 Ų | 51 | 80.7 Ų | 80.7 | 42% | 0.421 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -71.7 | -44.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1707 H1708 K1714 V1715 | D1707-A1711 VanDerWaalsContact O-CB 3.29Å; D1707-A1711 WeakPolarHBondContact O-CB 3.43Å; D1707-A1711 PolarHBondContact O-N 3.41Å; H1708-A1711 PolarHBondContact O-N 2.92Å; A1711-K1714 PolarHBondContact O-N 2.78Å; A1711-V1715 VanDerWaalsContact O-CG2 3.31Å; A1711-V1715 WeakPolarHBondContact O-CG2 3.44Å; A1711-V1715 PolarHBondContact O-N 2.88Å |
| 1712 | E | 58.2 | Low | 61.6 | Low | 91 Ų | 91 | 80.7 Ų | 80.7 | 43% | 0.425 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 175.3 | -84.3 | -166.7 | 145.2 | 0 | 0 | 112.4 | H1708 I1709 V1715 N1716 | H1708-E1712 WeakPolarHBondContact O-CB 3.28Å; H1708-E1712 PolarHBondContact O-N 3.16Å; I1709-E1712 PolarHBondContact O-N 2.91Å; E1712-V1715 PolarHBondContact O-N 3.47Å; E1712-N1716 WeakPolarHBondContact O-CB 3.19Å; E1712-N1716 PolarHBondContact O-N 3.36Å; E1712-N1716 PolarHBondContact O-ND2 3.24Å |
| 1713 | T | 60.2 | Low | 63.5 | Low | 17 Ų | 17 | 75.6 Ų | 75.6 | 10% | 0.104 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 174.5 | 44.8 | 0 | 0 | 0 | 0 | 111.8 | N1686 I1709 L1710 N1716 D1717 | N1686-T1713 WeakPolarHBondContact OD1-CG2 3.06Å; I1709-T1713 HydrophobicContact CG2-CG2 4.46Å; I1709-T1713 WeakPolarHBondContact O-CB 3.46Å; I1709-T1713 VanDerWaalsContact O-CG2 3.3Å; I1709-T1713 WeakPolarHBondContact O-CG2 3.48Å; I1709-T1713 PolarHBondContact O-N 3.11Å; I1709-T1713 PolarHBondContact O-OG1 3.21Å; L1710-T1713 WeakPolarHBondContact CA-OG1 3.43Å; L1710-T1713 PolarHBondContact O-OG1 2.9Å; T1713-N1716 PolarHBondContact O-N 3.1Å; T1713-D1717 WeakPolarHBondContact O-CB 2.96Å; T1713-D1717 VanDerWaalsContact O-CG 3.23Å; T1713-D1717 PolarHBondContact O-N 2.93Å |
| 1714 | K | 62 | Low | 64.9 | Low | 154 Ų | 154 | 68.9 Ų | 68.9 | 67% | 0.67 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.8 | -41.5 | 172 | -93.6 | -178.2 | 174.4 | 175.7 | 0 | 113.6 | L1710 A1711 N1716 D1717 N1718 | L1710-K1714 WeakPolarHBondContact O-CB 3.3Å; L1710-K1714 PolarHBondContact O-N 3.06Å; L1710-K1714 VanDerWaalsContact O-N 3.14Å; A1711-K1714 PolarHBondContact O-N 2.78Å; K1714-N1716 VanDerWaalsContact C-N 3.34Å; K1714-D1717 PolarHBondContact O-N 3.28Å; K1714-N1718 PolarHBondContact O-N 3.18Å; K1714-N1718 VanDerWaalsContact O-N 3.08Å |
| 1715 | V | 62.9 | Low | 66.5 | Low | 87 Ų | 87 | 67.5 Ų | 67.5 | 53% | 0.527 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 176.2 | 172 | 0 | 0 | 0 | 0 | 110.2 | A1711 E1712 N1718 L1719 | A1711-V1715 VanDerWaalsContact O-CG2 3.31Å; A1711-V1715 WeakPolarHBondContact O-CG2 3.44Å; A1711-V1715 PolarHBondContact O-N 2.88Å; E1712-V1715 PolarHBondContact O-N 3.47Å; V1715-N1718 PolarHBondContact O-N 3.31Å; V1715-L1719 HydrophobicContact CG1-CD1 4.08Å; V1715-L1719 WeakPolarHBondContact O-CG 3.11Å; V1715-L1719 PolarHBondContact O-N 3Å; V1715-L1719 VanDerWaalsContact O-N 3.09Å |
| 1716 | N | 68 | Low | 68.2 | Low | 11 Ų | 11 | 63.6 Ų | 63.6 | 6% | 0.059 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63 | -41.1 | 173.5 | -70.5 | -20.7 | 0 | 0 | 0 | 111.5 | N1686 E1712 T1713 K1714 N1718 L1719 I1720 | N1686-N1716 PolarHBondContact OD1-ND2 3.35Å; N1686-N1716 VanDerWaalsContact OD1-ND2 3.09Å; E1712-N1716 WeakPolarHBondContact O-CB 3.19Å; E1712-N1716 PolarHBondContact O-N 3.36Å; E1712-N1716 PolarHBondContact O-ND2 3.24Å; T1713-N1716 PolarHBondContact O-N 3.1Å; K1714-N1716 VanDerWaalsContact C-N 3.34Å; N1716-N1718 PolarHBondContact O-N 3.08Å; N1716-L1719 PolarHBondContact O-N 3.09Å; N1716-I1720 WeakPolarHBondContact O-CB 3.42Å; N1716-I1720 WeakPolarHBondContact O-CD1 3.46Å; N1716-I1720 WeakPolarHBondContact O-CG1 3.3Å; N1716-I1720 PolarHBondContact O-N 3.49Å |
| 1717 | D | 68.8 | Low | 69.8 | Low | 73 Ų | 73 | 60.8 Ų | 60.8 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 178.1 | -76 | -10.4 | 0 | 0 | 0 | 112.2 | N1686 T1713 K1714 I1720 T1721 | N1686-D1717 PolarHBondContact ND2-OD1 2.74Å; T1713-D1717 WeakPolarHBondContact O-CB 2.96Å; T1713-D1717 VanDerWaalsContact O-CG 3.23Å; T1713-D1717 PolarHBondContact O-N 2.93Å; K1714-D1717 PolarHBondContact O-N 3.28Å; D1717-I1720 PolarHBondContact O-N 3.11Å; D1717-T1721 PolarHBondContact O-N 2.92Å; D1717-T1721 PolarHBondContact O-OG1 3.03Å |
| 1718 | N | 76 | Confident | 71.2 | Confident | 120 Ų | 120 | 55.6 Ų | 55.6 | 64% | 0.642 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.6 | -41.6 | 172.9 | -76.4 | -14.8 | 0 | 0 | 0 | 112.1 | K1714 V1715 N1716 T1721 M1722 | K1714-N1718 PolarHBondContact O-N 3.18Å; K1714-N1718 VanDerWaalsContact O-N 3.08Å; V1715-N1718 PolarHBondContact O-N 3.31Å; N1716-N1718 PolarHBondContact O-N 3.08Å; N1718-T1721 PolarHBondContact O-N 3.44Å; N1718-M1722 PolarHBondContact O-N 3.07Å |
| 1719 | L | 76.2 | Confident | 72.6 | Confident | 52 Ų | 52 | 53 Ų | 53 | 27% | 0.272 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 175.9 | -75.7 | 162.3 | 0 | 0 | 0 | 111.8 | Y1682 V1715 N1716 T1721 M1722 H1723 | Y1682-L1719 HydrophobicContact CE1-CD1 4.14Å; Y1682-L1719 HydrophobicContact CE2-CB 4.44Å; V1715-L1719 HydrophobicContact CG1-CD1 4.08Å; V1715-L1719 WeakPolarHBondContact O-CG 3.11Å; V1715-L1719 PolarHBondContact O-N 3Å; V1715-L1719 VanDerWaalsContact O-N 3.09Å; N1716-L1719 PolarHBondContact O-N 3.09Å; L1719-T1721 VanDerWaalsContact C-N 3.31Å; L1719-T1721 PolarHBondContact O-N 3.12Å; L1719-M1722 PolarHBondContact O-N 3.36Å; L1719-H1723 WeakPolarHBondContact O-CB 3.49Å; L1719-H1723 PolarHBondContact O-CD2 2.81Å; L1719-H1723 PolarHBondContact O-N 3.22Å |
| 1720 | I | 76.8 | Confident | 73.9 | Confident | 10 Ų | 10 | 52.5 Ų | 52.5 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 173.9 | -71.9 | 164 | 0 | 0 | 0 | 109.4 | L1679 N1716 D1717 M1722 H1723 A1724 Y1756 | L1679-I1720 HydrophobicContact CD1-CB 4.39Å; L1679-I1720 HydrophobicContact CD1-CG2 3.84Å; L1679-I1720 WeakPolarHBondContact CD1-O 3.28Å; N1716-I1720 WeakPolarHBondContact O-CB 3.42Å; N1716-I1720 WeakPolarHBondContact O-CD1 3.46Å; N1716-I1720 WeakPolarHBondContact O-CG1 3.3Å; N1716-I1720 PolarHBondContact O-N 3.49Å; D1717-I1720 PolarHBondContact O-N 3.11Å; I1720-M1722 PolarHBondContact O-N 3.47Å; I1720-H1723 PolarHBondContact O-N 3.36Å; I1720-A1724 WeakPolarHBondContact O-CB 3.33Å; I1720-A1724 PolarHBondContact O-N 3.16Å; I1720-Y1756 HydrophobicContact CG2-CD1 3.84Å; I1720-Y1756 HydrophobicContact CG2-CE1 3.53Å |
| 1721 | T | 80.3 | Confident | 75.3 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 10% | 0.104 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -43.8 | -179.8 | -46.9 | 0 | 0 | 0 | 0 | 111.7 | D1717 N1718 L1719 H1723 A1724 I1725 I1759 E1761 V1762 | D1717-T1721 PolarHBondContact O-N 2.92Å; D1717-T1721 PolarHBondContact O-OG1 3.03Å; N1718-T1721 PolarHBondContact O-N 3.44Å; L1719-T1721 VanDerWaalsContact C-N 3.31Å; L1719-T1721 PolarHBondContact O-N 3.12Å; T1721-H1723 PolarHBondContact O-N 2.8Å; T1721-A1724 PolarHBondContact O-N 2.66Å; T1721-I1725 HydrophobicContact CG2-CD1 4.28Å; T1721-I1725 WeakPolarHBondContact O-CG1 3.34Å; T1721-I1725 PolarHBondContact O-N 2.83Å; T1721-I1759 HydrophobicContact CG2-CG2 4.05Å; T1721-E1761 VanDerWaalsContact CG2-OE2 3.24Å; T1721-E1761 WeakPolarHBondContact CG2-OE2 3.16Å; T1721-V1762 HydrophobicContact CG2-CG2 4.24Å |
| 1722 | M | 83.3 | Confident | 76.5 | Confident | 91 Ų | 91 | 45.1 Ų | 45.1 | 45% | 0.448 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 177.2 | -164.2 | -157 | 79.5 | 0 | 0 | 112.1 | N1718 L1719 I1720 Q1726 | N1718-M1722 PolarHBondContact O-N 3.07Å; L1719-M1722 PolarHBondContact O-N 3.36Å; I1720-M1722 PolarHBondContact O-N 3.47Å; M1722-Q1726 PolarHBondContact O-N 3.4Å |
| 1723 | H | 82.1 | Confident | 77.7 | Confident | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.065 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.2 | -32.3 | 178.8 | -72.2 | -58.9 | 0 | 0 | 0 | 112.3 | N1675 L1679 L1719 I1720 T1721 A1727 | N1675-H1723 PolarHBondContact OD1-ND1 2.96Å; L1679-H1723 HydrophobicContact CD1-CB 4.04Å; L1719-H1723 WeakPolarHBondContact O-CB 3.49Å; L1719-H1723 PolarHBondContact O-CD2 2.81Å; L1719-H1723 PolarHBondContact O-N 3.22Å; I1720-H1723 PolarHBondContact O-N 3.36Å; T1721-H1723 PolarHBondContact O-N 2.8Å; H1723-A1727 WeakPolarHBondContact O-CB 3.28Å; H1723-A1727 PolarHBondContact O-N 3.38Å |
| 1724 | A | 80 | Confident | 78.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.1 | -46 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1679 I1720 T1721 A1727 V1728 V1752 V1762 | L1679-A1724 HydrophobicContact CD1-CB 3.76Å; I1720-A1724 WeakPolarHBondContact O-CB 3.33Å; I1720-A1724 PolarHBondContact O-N 3.16Å; T1721-A1724 PolarHBondContact O-N 2.66Å; A1724-A1727 PolarHBondContact O-N 2.88Å; A1724-V1728 WeakPolarHBondContact O-CG2 3.48Å; A1724-V1728 PolarHBondContact O-N 3.32Å; A1724-V1752 HydrophobicContact CB-CG1 4.36Å; A1724-V1762 HydrophobicContact CB-CG2 4.04Å |
| 1725 | I | 84 | Confident | 79.5 | Confident | 47 Ų | 47 | 39.1 Ų | 39.1 | 24% | 0.241 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61 | -48.3 | 177.6 | -67.4 | 168.1 | 0 | 0 | 0 | 110.4 | T1721 A1727 V1728 Q1729 E1761 V1762 M1765 | T1721-I1725 HydrophobicContact CG2-CD1 4.28Å; T1721-I1725 WeakPolarHBondContact O-CG1 3.34Å; T1721-I1725 PolarHBondContact O-N 2.83Å; I1725-A1727 VanDerWaalsContact C-N 3.35Å; I1725-A1727 PolarHBondContact O-N 3.33Å; I1725-V1728 PolarHBondContact O-N 3.32Å; I1725-Q1729 WeakPolarHBondContact O-CB 3.37Å; I1725-Q1729 PolarHBondContact O-N 3.37Å; I1725-E1761 HydrophobicContact CD1-CB 4.19Å; I1725-V1762 HydrophobicContact CG1-CG2 4.2Å; I1725-M1765 HydrophobicContact CG2-CG 4.37Å |
| 1726 | Q | 84 | Confident | 80.4 | Confident | 69 Ų | 69 | 38.4 Ų | 38.4 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.7 | -39.2 | 177.9 | -78.3 | -168.7 | -5.3 | 0 | 0 | 112.5 | N1675 M1722 Q1729 C1730 | N1675-Q1726 PolarHBondContact OD1-OE1 3.41Å; M1722-Q1726 PolarHBondContact O-N 3.4Å; Q1726-Q1729 PolarHBondContact O-N 3.23Å; Q1726-C1730 WeakPolarHBondContact O-CB 3.49Å; Q1726-C1730 PolarHBondContact O-N 3.09Å; Q1726-C1730 PolarHBondContact O-SG 3.1Å |
| 1727 | A | 83.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.1 | -48.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1675 H1723 A1724 I1725 Q1729 C1730 F1731 | N1675-A1727 HydrophobicContact CB-CB 4.1Å; H1723-A1727 WeakPolarHBondContact O-CB 3.28Å; H1723-A1727 PolarHBondContact O-N 3.38Å; A1724-A1727 PolarHBondContact O-N 2.88Å; I1725-A1727 VanDerWaalsContact C-N 3.35Å; I1725-A1727 PolarHBondContact O-N 3.33Å; A1727-Q1729 VanDerWaalsContact C-N 3.33Å; A1727-Q1729 PolarHBondContact O-N 3.1Å; A1727-C1730 PolarHBondContact O-N 2.69Å; A1727-F1731 HydrophobicContact CB-CD2 4.33Å; A1727-F1731 HydrophobicContact CB-CE2 4.31Å; A1727-F1731 WeakPolarHBondContact O-CB 3.42Å; A1727-F1731 WeakPolarHBondContact O-CD2 2.99Å; A1727-F1731 PolarHBondContact O-N 3.23Å |
| 1728 | V | 83.7 | Confident | 81.1 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57 | -47.9 | 176.9 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | A1724 I1725 C1730 F1731 C1732 L1749 V1752 V1762 M1765 I1766 | A1724-V1728 WeakPolarHBondContact O-CG2 3.48Å; A1724-V1728 PolarHBondContact O-N 3.32Å; I1725-V1728 PolarHBondContact O-N 3.32Å; V1728-C1730 VanDerWaalsContact C-N 3.34Å; V1728-C1730 PolarHBondContact O-N 3.13Å; V1728-F1731 PolarHBondContact O-N 3.2Å; V1728-C1732 PolarHBondContact O-N 3.33Å; V1728-C1732 PolarHBondContact O-SG 3.13Å; V1728-C1732 VanDerWaalsContact O-SG 3.4Å; V1728-L1749 HydrophobicContact CB-CD1 4.27Å; V1728-L1749 HydrophobicContact CG1-CD1 4.08Å; V1728-L1749 HydrophobicContact CG2-CD1 4.14Å; V1728-V1752 HydrophobicContact CG2-CB 4.49Å; V1728-V1752 HydrophobicContact CG2-CG1 3.71Å; V1728-V1762 HydrophobicContact CG2-CG1 4.44Å; V1728-M1765 HydrophobicContact CG1-CG 4.48Å; V1728-I1766 HydrophobicContact CG1-CG1 3.81Å; V1728-I1766 HydrophobicContact CG2-CD1 4.31Å; V1728-I1766 HydrophobicContact CG2-CG1 4.01Å |
| 1729 | Q | 85.5 | Confident | 80.4 | Confident | 82 Ų | 82 | 42.6 Ų | 42.6 | 38% | 0.383 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.1 | -41.1 | -177.3 | -160.5 | 175.9 | 7.4 | 0 | 0 | 112 | I1725 Q1726 A1727 R1733 | I1725-Q1729 WeakPolarHBondContact O-CB 3.37Å; I1725-Q1729 PolarHBondContact O-N 3.37Å; Q1726-Q1729 PolarHBondContact O-N 3.23Å; A1727-Q1729 VanDerWaalsContact C-N 3.33Å; A1727-Q1729 PolarHBondContact O-N 3.1Å; Q1729-R1733 PolarHBondContact O-N 2.75Å |
| 1730 | C | 83.4 | Confident | 79.8 | Confident | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.2 | -41.1 | 179.4 | -62.1 | 0 | 0 | 0 | 0 | 112.4 | W1668 A1672 Q1726 A1727 V1728 R1733 S1734 | W1668-C1730 HydrophobicContact CE3-CB 4.25Å; A1672-C1730 HydrophobicContact CB-CB 3.58Å; Q1726-C1730 WeakPolarHBondContact O-CB 3.49Å; Q1726-C1730 PolarHBondContact O-N 3.09Å; Q1726-C1730 PolarHBondContact O-SG 3.1Å; A1727-C1730 PolarHBondContact O-N 2.69Å; V1728-C1730 VanDerWaalsContact C-N 3.34Å; V1728-C1730 PolarHBondContact O-N 3.13Å; C1730-R1733 PolarHBondContact O-N 3.48Å; C1730-S1734 PolarHBondContact O-N 3.39Å |
| 1731 | F | 84.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -43.7 | 176.8 | -80.4 | -55.8 | 0 | 0 | 0 | 112.2 | A1672 F1676 A1727 V1728 R1733 S1734 V1735 D1745 R1748 L1749 | A1672-F1731 HydrophobicContact CB-CD1 3.58Å; A1672-F1731 HydrophobicContact CB-CD2 4Å; A1672-F1731 HydrophobicContact CB-CE1 3.58Å; A1672-F1731 HydrophobicContact CB-CE2 4.01Å; A1672-F1731 HydrophobicContact CB-CG 3.78Å; A1672-F1731 HydrophobicContact CB-CZ 3.79Å; F1676-F1731 HydrophobicContact CB-CE2 4.01Å; F1676-F1731 HydrophobicContact CB-CZ 4.16Å; F1676-F1731 HydrophobicContact CD2-CE2 4.27Å; F1676-F1731 HydrophobicContact CG-CE2 4.27Å; F1676-F1731 HydrophobicContact CG-CZ 4.42Å; A1727-F1731 HydrophobicContact CB-CD2 4.33Å; A1727-F1731 HydrophobicContact CB-CE2 4.31Å; A1727-F1731 WeakPolarHBondContact O-CB 3.42Å; A1727-F1731 WeakPolarHBondContact O-CD2 2.99Å; A1727-F1731 PolarHBondContact O-N 3.23Å; V1728-F1731 PolarHBondContact O-N 3.2Å; F1731-R1733 PolarHBondContact O-N 3.34Å; F1731-S1734 PolarHBondContact O-N 3.35Å; F1731-S1734 PolarHBondContact O-OG 3.01Å; F1731-V1735 WeakPolarHBondContact O-CB 3.49Å; F1731-V1735 WeakPolarHBondContact O-CG2 3.39Å; F1731-V1735 PolarHBondContact O-N 3.01Å; F1731-D1745 HydrophobicContact CD1-CB 3.83Å; F1731-D1745 HydrophobicContact CE1-CB 4.35Å; F1731-D1745 WeakPolarHBondContact CE1-OD1 3.17Å; F1731-R1748 HydrophobicContact CE1-CB 4.04Å; F1731-R1748 HydrophobicContact CE2-CB 3.97Å; F1731-R1748 HydrophobicContact CZ-CB 3.67Å; F1731-R1748 HydrophobicContact CZ-CG 4.35Å; F1731-L1749 HydrophobicContact CB-CB 4.26Å; F1731-L1749 HydrophobicContact CB-CD1 4.21Å |
| 1732 | C | 83.5 | Confident | 78.9 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.9 | -37.1 | 175.1 | -71.5 | 0 | 0 | 0 | 0 | 111.5 | V1728 V1736 R1769 | V1728-C1732 PolarHBondContact O-N 3.33Å; V1728-C1732 PolarHBondContact O-SG 3.13Å; V1728-C1732 VanDerWaalsContact O-SG 3.4Å; C1732-V1736 VanDerWaalsContact O-CG2 3.25Å; C1732-V1736 WeakPolarHBondContact O-CG2 3.41Å; C1732-V1736 PolarHBondContact O-N 3.26Å; C1732-R1769 HydrophobicContact CB-CB 4.18Å |
| 1733 | R | 82.1 | Confident | 78.3 | Confident | 129 Ų | 129 | 40.1 Ų | 40.1 | 49% | 0.487 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -71.5 | -41.9 | 176.9 | -152 | 72.2 | 177.2 | 169.1 | 0.8 | 112.4 | W1668 Q1729 C1730 F1731 V1735 V1736 L1737 | W1668-R1733 HydrophobicContact CD2-CB 4.17Å; W1668-R1733 HydrophobicContact CD2-CG 4.04Å; W1668-R1733 HydrophobicContact CE3-CB 4.06Å; W1668-R1733 HydrophobicContact CE3-CG 4.26Å; W1668-R1733 HydrophobicContact CG-CG 4.5Å; W1668-R1733 HydrophobicContact CZ2-CG 4.32Å; W1668-R1733 HydrophobicContact CZ3-CB 4.47Å; W1668-R1733 HydrophobicContact CZ3-CG 4.5Å; Q1729-R1733 PolarHBondContact O-N 2.75Å; C1730-R1733 PolarHBondContact O-N 3.48Å; F1731-R1733 PolarHBondContact O-N 3.34Å; R1733-V1735 VanDerWaalsContact C-N 3.33Å; R1733-V1735 PolarHBondContact O-N 2.93Å; R1733-V1736 PolarHBondContact O-N 3.46Å; R1733-L1737 HydrophobicContact CG-CD1 4.2Å; R1733-L1737 VanDerWaalsContact O-CG 3.29Å; R1733-L1737 WeakPolarHBondContact O-CG 3.23Å; R1733-L1737 PolarHBondContact O-N 3.07Å; R1733-L1737 VanDerWaalsContact O-N 3.08Å |
| 1734 | S | 82.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 177.5 | 74.5 | 0 | 0 | 0 | 0 | 111.5 | C1730 F1731 L1737 C1738 D1745 | C1730-S1734 PolarHBondContact O-N 3.39Å; F1731-S1734 PolarHBondContact O-N 3.35Å; F1731-S1734 PolarHBondContact O-OG 3.01Å; S1734-L1737 PolarHBondContact O-N 3.48Å; S1734-C1738 WeakPolarHBondContact O-CB 3.29Å; S1734-C1738 PolarHBondContact O-N 2.84Å; S1734-D1745 WeakPolarHBondContact CB-OD2 3.45Å; S1734-D1745 VanDerWaalsContact OG-CG 3.3Å; S1734-D1745 PolarHBondContact OG-OD2 3.27Å |
| 1735 | V | 79.2 | Confident | 77.5 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 176.5 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | F1731 R1733 L1737 C1738 D1745 V1773 T1777 | F1731-V1735 WeakPolarHBondContact O-CB 3.49Å; F1731-V1735 WeakPolarHBondContact O-CG2 3.39Å; F1731-V1735 PolarHBondContact O-N 3.01Å; R1733-V1735 VanDerWaalsContact C-N 3.33Å; R1733-V1735 PolarHBondContact O-N 2.93Å; V1735-L1737 VanDerWaalsContact C-N 3.34Å; V1735-C1738 PolarHBondContact O-N 3.4Å; V1735-D1745 HydrophobicContact CG2-CB 3.68Å; V1735-V1773 HydrophobicContact CG1-CG1 3.79Å; V1735-V1773 HydrophobicContact CG1-CG2 4.49Å; V1735-T1777 HydrophobicContact CG1-CG2 3.74Å |
| 1736 | V | 81.6 | Confident | 77.3 | Confident | 71 Ų | 71 | 38.6 Ų | 38.6 | 43% | 0.43 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.1 | -35.3 | 178.1 | 170.3 | 0 | 0 | 0 | 0 | 112.1 | C1732 R1733 V1773 | C1732-V1736 VanDerWaalsContact O-CG2 3.25Å; C1732-V1736 WeakPolarHBondContact O-CG2 3.41Å; C1732-V1736 PolarHBondContact O-N 3.26Å; R1733-V1736 PolarHBondContact O-N 3.46Å; V1736-V1773 HydrophobicContact CG2-CG2 4.39Å |
| 1737 | L | 78.2 | Confident | 76.8 | Confident | 46 Ų | 46 | 35.7 Ų | 35.7 | 24% | 0.241 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -82.4 | -16.1 | -178.5 | -67.7 | 170.2 | 0 | 0 | 0 | 113.4 | P1662 W1668 R1733 S1734 V1735 K1739 | P1662-L1737 WeakPolarHBondContact O-CD1 3.38Å; W1668-L1737 HydrophobicContact CG-CD1 4.29Å; R1733-L1737 HydrophobicContact CG-CD1 4.2Å; R1733-L1737 VanDerWaalsContact O-CG 3.29Å; R1733-L1737 WeakPolarHBondContact O-CG 3.23Å; R1733-L1737 PolarHBondContact O-N 3.07Å; R1733-L1737 VanDerWaalsContact O-N 3.08Å; S1734-L1737 PolarHBondContact O-N 3.48Å; V1735-L1737 VanDerWaalsContact C-N 3.34Å; L1737-K1739 PolarHBondContact O-N 2.94Å |
| 1738 | C | 71.9 | Confident | 76.3 | Confident | 32 Ų | 32 | 36.7 Ų | 36.7 | 22% | 0.216 | 19% | 0.188 | C | C | . | . | trans | -74.7 | 112.3 | -178.2 | -161.9 | 0 | 0 | 0 | 0 | 110.5 | Y1665 S1734 V1735 G1740 | Y1665-C1738 HydrophobicContact CD2-CB 4.3Å; S1734-C1738 WeakPolarHBondContact O-CB 3.29Å; S1734-C1738 PolarHBondContact O-N 2.84Å; V1735-C1738 PolarHBondContact O-N 3.4Å; C1738-G1740 PolarHBondContact O-N 2.88Å | ||
| 1739 | K | 61.7 | Low | 76.2 | Confident | 215 Ų | 215 | 36.9 Ų | 36.9 | 94% | 0.935 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -75.3 | 1.3 | 173.9 | -69.8 | -174 | 175.9 | -178.3 | 0 | 113.7 | L1737 | L1737-K1739 PolarHBondContact O-N 2.94Š|
| 1740 | G | 64.2 | Low | 75.8 | Confident | 45 Ų | 45 | 33.2 Ų | 33.2 | 46% | 0.464 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -128.6 | -142 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | C1738 S1742 | C1738-G1740 PolarHBondContact O-N 2.88Å; G1740-S1742 PolarHBondContact O-N 2.83Å |
| 1741 | N | 64.4 | Low | 75.5 | Confident | 54 Ų | 54 | 34 Ų | 34 | 29% | 0.289 | 18% | 0.177 | S | C | . | . | trans | -82.6 | 105.5 | -177.5 | -165 | 1.6 | 0 | 0 | 0 | 111.2 | L1743 Q1780 T2009 | N1741-L1743 VanDerWaalsContact C-N 3.28Å; N1741-L1743 PolarHBondContact O-N 2.88Å; N1741-L1743 VanDerWaalsContact OD1-CB 3.22Å; N1741-L1743 WeakPolarHBondContact OD1-CB 3.42Å; N1741-L1743 PolarHBondContact OD1-N 3.38Å; N1741-Q1780 PolarHBondContact OD1-OE1 3.03Å; N1741-T2009 HydrophobicContact CB-CG2 3.75Å; N1741-T2009 PolarHBondContact ND2-OG1 3.16Å | ||
| 1742 | S | 73.3 | Confident | 75.2 | Confident | 8 Ų | 8 | 34 Ų | 34 | 6% | 0.056 | 18% | 0.177 | C | C | . | . | trans | -88.2 | 11.5 | 178.1 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | G1740 Q1744 D1745 T1746 T1777 | G1740-S1742 PolarHBondContact O-N 2.83Å; S1742-Q1744 VanDerWaalsContact C-N 3.27Å; S1742-Q1744 PolarHBondContact O-N 3.34Å; S1742-D1745 PolarHBondContact O-N 3.28Å; S1742-T1746 WeakPolarHBondContact O-CB 3.35Å; S1742-T1746 PolarHBondContact O-N 3.03Å; S1742-T1746 PolarHBondContact O-OG1 2.97Å; S1742-T1777 WeakPolarHBondContact OG-CG2 3.34Å | ||
| 1743 | L | 71.2 | Confident | 75 | Confident | 10 Ų | 10 | 34 Ų | 34 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -54 | -40.8 | -175 | -173.3 | 67 | 0 | 0 | 0 | 112.8 | N1741 T1746 L1747 Q1780 V1781 L2006 | N1741-L1743 VanDerWaalsContact C-N 3.28Å; N1741-L1743 PolarHBondContact O-N 2.88Å; N1741-L1743 VanDerWaalsContact OD1-CB 3.22Å; N1741-L1743 WeakPolarHBondContact OD1-CB 3.42Å; N1741-L1743 PolarHBondContact OD1-N 3.38Å; L1743-T1746 PolarHBondContact O-N 3.45Å; L1743-L1747 HydrophobicContact CD1-CD1 4.23Å; L1743-L1747 HydrophobicContact CD1-CG 4.27Å; L1743-L1747 HydrophobicContact CD2-CD1 4.47Å; L1743-L1747 HydrophobicContact CG-CD1 3.8Å; L1743-L1747 HydrophobicContact CG-CG 4.3Å; L1743-L1747 WeakPolarHBondContact O-CB 3.46Å; L1743-L1747 WeakPolarHBondContact O-CD1 3.3Å; L1743-L1747 WeakPolarHBondContact O-CG 3.49Å; L1743-L1747 PolarHBondContact O-N 3.29Å; L1743-Q1780 HydrophobicContact CD1-CB 4.02Å; L1743-V1781 HydrophobicContact CD1-CG1 3.71Å; L1743-L2006 HydrophobicContact CD2-CB 4.05Å; L1743-L2006 HydrophobicContact CD2-CD1 3.89Å; L1743-L2006 HydrophobicContact CG-CD1 4.25Å |
| 1744 | Q | 70.9 | Confident | 74.8 | Confident | 25 Ų | 25 | 28.5 Ų | 28.5 | 12% | 0.117 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.6 | -47.2 | -178.1 | -149.6 | -164.3 | 38.4 | 0 | 0 | 112.2 | S1742 L1747 R1748 N2227 S2230 | S1742-Q1744 VanDerWaalsContact C-N 3.27Å; S1742-Q1744 PolarHBondContact O-N 3.34Å; Q1744-L1747 PolarHBondContact O-N 2.71Å; Q1744-R1748 WeakPolarHBondContact O-CG 3.21Å; Q1744-R1748 PolarHBondContact O-N 3.42Å; Q1744-R1748 VanDerWaalsContact O-N 3.15Å; Q1744-N2227 PolarHBondContact NE2-OD1 2.95Å; Q1744-S2230 WeakPolarHBondContact CG-OG 3.47Å; Q1744-S2230 PolarHBondContact NE2-OG 3.06Å |
| 1745 | D | 74.3 | Confident | 74.4 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.011 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.7 | -37.5 | 177.5 | -75.2 | -14.4 | 0 | 0 | 0 | 111.6 | H1669 F1731 S1734 V1735 S1742 R1748 L1749 | H1669-D1745 IonicContact CE1-OD1 3.89Å; H1669-D1745 PolarHBondContact CE1-OD1 3.34Å; H1669-D1745 IonicContact CG-OD1 2.82Å; H1669-D1745 IonicContact ND1-OD1 2.78Å; H1669-D1745 PolarHBondContact ND1-OD1 3.08Å; H1669-D1745 IonicContact ND1-OD2 2.72Å; H1669-D1745 PolarHBondContact ND1-OD2 3.4Å; F1731-D1745 HydrophobicContact CD1-CB 3.83Å; F1731-D1745 HydrophobicContact CE1-CB 4.35Å; F1731-D1745 WeakPolarHBondContact CE1-OD1 3.17Å; S1734-D1745 WeakPolarHBondContact CB-OD2 3.45Å; S1734-D1745 VanDerWaalsContact OG-CG 3.3Å; S1734-D1745 PolarHBondContact OG-OD2 3.27Å; V1735-D1745 HydrophobicContact CG2-CB 3.68Å; S1742-D1745 PolarHBondContact O-N 3.28Å; D1745-R1748 PolarHBondContact O-N 2.94Å; D1745-L1749 VanDerWaalsContact O-CB 3.32Å; D1745-L1749 WeakPolarHBondContact O-CB 3.47Å; D1745-L1749 PolarHBondContact O-N 3.05Å |
| 1746 | T | 79.1 | Confident | 74.4 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66 | -39.6 | 178.5 | -49.6 | 0 | 0 | 0 | 0 | 111.3 | S1742 L1743 L1749 L1750 T1777 W1778 V1781 | S1742-T1746 WeakPolarHBondContact O-CB 3.35Å; S1742-T1746 PolarHBondContact O-N 3.03Å; S1742-T1746 PolarHBondContact O-OG1 2.97Å; L1743-T1746 PolarHBondContact O-N 3.45Å; T1746-L1749 WeakPolarHBondContact O-CB 3.35Å; T1746-L1749 PolarHBondContact O-N 3.36Å; T1746-L1750 WeakPolarHBondContact O-CG 3.32Å; T1746-L1750 PolarHBondContact O-N 2.8Å; T1746-T1777 HydrophobicContact CG2-CG2 4.31Å; T1746-W1778 HydrophobicContact CG2-CZ3 4.36Å; T1746-V1781 HydrophobicContact CG2-CG1 4.19Å; T1746-V1781 HydrophobicContact CG2-CG2 4.07Å |
| 1747 | L | 73.1 | Confident | 74 | Confident | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | 176.1 | -73.8 | 165.2 | 0 | 0 | 0 | 112 | L1743 Q1744 L1749 L1750 T1751 V1781 Q1784 L2006 V2234 | L1743-L1747 HydrophobicContact CD1-CD1 4.23Å; L1743-L1747 HydrophobicContact CD1-CG 4.27Å; L1743-L1747 HydrophobicContact CD2-CD1 4.47Å; L1743-L1747 HydrophobicContact CG-CD1 3.8Å; L1743-L1747 HydrophobicContact CG-CG 4.3Å; L1743-L1747 WeakPolarHBondContact O-CB 3.46Å; L1743-L1747 WeakPolarHBondContact O-CD1 3.3Å; L1743-L1747 WeakPolarHBondContact O-CG 3.49Å; L1743-L1747 PolarHBondContact O-N 3.29Å; Q1744-L1747 PolarHBondContact O-N 2.71Å; L1747-L1749 VanDerWaalsContact C-N 3.32Å; L1747-L1749 PolarHBondContact O-N 3.42Å; L1747-L1750 HydrophobicContact CD2-CD1 4.47Å; L1747-L1750 WeakPolarHBondContact O-CB 3.42Å; L1747-L1750 PolarHBondContact O-N 2.8Å; L1747-L1750 VanDerWaalsContact O-N 3.17Å; L1747-T1751 PolarHBondContact O-N 3.3Å; L1747-T1751 PolarHBondContact O-OG1 3.43Å; L1747-T1751 VanDerWaalsContact O-OG1 3.07Å; L1747-V1781 HydrophobicContact CD2-CG1 4.15Å; L1747-Q1784 HydrophobicContact CD2-CG 4.18Å; L1747-L2006 HydrophobicContact CD1-CD1 4.43Å; L1747-L2006 HydrophobicContact CD1-CD2 4.23Å; L1747-V2234 HydrophobicContact CD1-CG2 3.28Å; L1747-V2234 HydrophobicContact CD2-CG2 4.05Å; L1747-V2234 HydrophobicContact CG-CG2 4.25Å |
| 1748 | R | 74.4 | Confident | 74.1 | Confident | 22 Ų | 22 | 29.6 Ų | 29.6 | 8% | 0.083 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 174.9 | -70 | 177 | -179.1 | -177.3 | -0.3 | 111.6 | C1673 F1676 F1731 Q1744 D1745 L1750 T1751 V1752 S2230 | C1673-R1748 PolarHBondContact SG-NH1 3.27Å; F1676-R1748 HydrophobicContact CE1-CG 4.36Å; F1676-R1748 HydrophobicContact CZ-CG 4.5Å; F1731-R1748 HydrophobicContact CE1-CB 4.04Å; F1731-R1748 HydrophobicContact CE2-CB 3.97Å; F1731-R1748 HydrophobicContact CZ-CB 3.67Å; F1731-R1748 HydrophobicContact CZ-CG 4.35Å; Q1744-R1748 WeakPolarHBondContact O-CG 3.21Å; Q1744-R1748 PolarHBondContact O-N 3.42Å; Q1744-R1748 VanDerWaalsContact O-N 3.15Å; D1745-R1748 PolarHBondContact O-N 2.94Å; R1748-L1750 VanDerWaalsContact C-N 3.32Å; R1748-L1750 PolarHBondContact O-N 2.93Å; R1748-T1751 WeakPolarHBondContact O-CB 3.36Å; R1748-T1751 PolarHBondContact O-N 3.16Å; R1748-V1752 WeakPolarHBondContact O-CG2 3.47Å; R1748-V1752 PolarHBondContact O-N 3.14Å; R1748-S2230 PolarHBondContact NE-OG 3.14Å; R1748-S2230 PolarHBondContact NH2-OG 3.17Å |
| 1749 | L | 81.6 | Confident | 74.5 | Confident | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 171.9 | -178.8 | 66.8 | 0 | 0 | 0 | 111.5 | V1728 F1731 D1745 T1746 L1747 V1752 W1753 W1778 | V1728-L1749 HydrophobicContact CB-CD1 4.27Å; V1728-L1749 HydrophobicContact CG1-CD1 4.08Å; V1728-L1749 HydrophobicContact CG2-CD1 4.14Å; F1731-L1749 HydrophobicContact CB-CB 4.26Å; F1731-L1749 HydrophobicContact CB-CD1 4.21Å; D1745-L1749 VanDerWaalsContact O-CB 3.32Å; D1745-L1749 WeakPolarHBondContact O-CB 3.47Å; D1745-L1749 PolarHBondContact O-N 3.05Å; T1746-L1749 WeakPolarHBondContact O-CB 3.35Å; T1746-L1749 PolarHBondContact O-N 3.36Å; L1747-L1749 VanDerWaalsContact C-N 3.32Å; L1747-L1749 PolarHBondContact O-N 3.42Å; L1749-V1752 PolarHBondContact O-N 3.3Å; L1749-W1753 WeakPolarHBondContact O-CB 3.36Å; L1749-W1753 PolarHBondContact O-N 2.9Å; L1749-W1778 HydrophobicContact CD2-CH2 4.3Å |
| 1750 | L | 77.7 | Confident | 75.3 | Confident | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.4 | -42 | 173.6 | -80.1 | 164 | 0 | 0 | 0 | 112.2 | T1746 L1747 R1748 V1752 W1753 F1754 W1778 V1781 Q1784 L1785 | T1746-L1750 WeakPolarHBondContact O-CG 3.32Å; T1746-L1750 PolarHBondContact O-N 2.8Å; L1747-L1750 HydrophobicContact CD2-CD1 4.47Å; L1747-L1750 WeakPolarHBondContact O-CB 3.42Å; L1747-L1750 PolarHBondContact O-N 2.8Å; L1747-L1750 VanDerWaalsContact O-N 3.17Å; R1748-L1750 VanDerWaalsContact C-N 3.32Å; R1748-L1750 PolarHBondContact O-N 2.93Å; L1750-V1752 VanDerWaalsContact C-N 3.34Å; L1750-V1752 PolarHBondContact O-N 3.45Å; L1750-W1753 HydrophobicContact CD2-CE3 3.68Å; L1750-W1753 HydrophobicContact CD2-CZ3 3.96Å; L1750-W1753 PolarHBondContact O-N 2.82Å; L1750-F1754 HydrophobicContact CB-CD2 4.38Å; L1750-F1754 HydrophobicContact CB-CE2 4.06Å; L1750-F1754 HydrophobicContact CD2-CE1 4.16Å; L1750-F1754 HydrophobicContact CD2-CE2 3.81Å; L1750-F1754 HydrophobicContact CD2-CZ 3.52Å; L1750-F1754 HydrophobicContact CG-CE2 4.47Å; L1750-F1754 WeakPolarHBondContact O-CB 3.48Å; L1750-F1754 VanDerWaalsContact O-CD2 3.28Å; L1750-F1754 WeakPolarHBondContact O-CD2 3.28Å; L1750-F1754 VanDerWaalsContact O-CG 3.29Å; L1750-F1754 WeakPolarHBondContact O-CG 3.25Å; L1750-F1754 PolarHBondContact O-N 2.99Å; L1750-W1778 HydrophobicContact CD2-CZ3 4.41Å; L1750-V1781 HydrophobicContact CD1-CB 3.66Å; L1750-V1781 HydrophobicContact CD1-CG1 3.86Å; L1750-V1781 HydrophobicContact CD1-CG2 3.86Å; L1750-Q1784 HydrophobicContact CD1-CB 4.26Å; L1750-L1785 HydrophobicContact CD2-CD2 3.79Å |
| 1751 | T | 75.4 | Confident | 76.1 | Confident | 27 Ų | 27 | 27 Ų | 27 | 17% | 0.166 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.4 | -46.9 | 175.2 | -51.4 | 0 | 0 | 0 | 0 | 110.6 | F1676 L1747 R1748 W1753 F1754 D1755 | F1676-T1751 HydrophobicContact CZ-CG2 4.39Å; L1747-T1751 PolarHBondContact O-N 3.3Å; L1747-T1751 PolarHBondContact O-OG1 3.43Å; L1747-T1751 VanDerWaalsContact O-OG1 3.07Å; R1748-T1751 WeakPolarHBondContact O-CB 3.36Å; R1748-T1751 PolarHBondContact O-N 3.16Å; T1751-W1753 VanDerWaalsContact C-N 3.33Å; T1751-W1753 PolarHBondContact O-N 2.62Å; T1751-F1754 PolarHBondContact O-N 3.02Å; T1751-D1755 WeakPolarHBondContact O-CB 3.37Å; T1751-D1755 PolarHBondContact O-N 3.07Å |
| 1752 | V | 77.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 176.6 | -180 | 0 | 0 | 0 | 0 | 111.1 | F1676 L1679 A1724 V1728 R1748 L1749 L1750 Y1756 | F1676-V1752 HydrophobicContact CD2-CG2 3.56Å; F1676-V1752 HydrophobicContact CE2-CG2 3.6Å; L1679-V1752 HydrophobicContact CD2-CG2 4.3Å; A1724-V1752 HydrophobicContact CB-CG1 4.36Å; V1728-V1752 HydrophobicContact CG2-CB 4.49Å; V1728-V1752 HydrophobicContact CG2-CG1 3.71Å; R1748-V1752 WeakPolarHBondContact O-CG2 3.47Å; R1748-V1752 PolarHBondContact O-N 3.14Å; L1749-V1752 PolarHBondContact O-N 3.3Å; L1750-V1752 VanDerWaalsContact C-N 3.34Å; L1750-V1752 PolarHBondContact O-N 3.45Å; V1752-Y1756 HydrophobicContact CG1-CD2 4.23Å; V1752-Y1756 WeakPolarHBondContact O-CA 3.18Å; V1752-Y1756 WeakPolarHBondContact O-CB 3.45Å; V1752-Y1756 PolarHBondContact O-N 3.31Å |
| 1753 | W | 81.1 | Confident | 77.2 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.5 | -47.1 | 178.9 | -177.5 | 13.8 | 0 | 0 | 0 | 112.3 | L1749 L1750 T1751 G1757 I1766 I1770 W1778 L1785 V1800 L1803 | L1749-W1753 WeakPolarHBondContact O-CB 3.36Å; L1749-W1753 PolarHBondContact O-N 2.9Å; L1750-W1753 HydrophobicContact CD2-CE3 3.68Å; L1750-W1753 HydrophobicContact CD2-CZ3 3.96Å; L1750-W1753 PolarHBondContact O-N 2.82Å; T1751-W1753 VanDerWaalsContact C-N 3.33Å; T1751-W1753 PolarHBondContact O-N 2.62Å; W1753-G1757 WeakPolarHBondContact O-CA 3.32Å; W1753-G1757 PolarHBondContact O-N 2.84Å; W1753-I1766 HydrophobicContact CB-CD1 3.81Å; W1753-I1766 HydrophobicContact CD2-CG2 4.15Å; W1753-I1766 HydrophobicContact CG-CD1 3.82Å; W1753-I1766 HydrophobicContact CG-CG2 4.13Å; W1753-I1770 HydrophobicContact CD2-CD1 4.44Å; W1753-I1770 HydrophobicContact CE3-CD1 4.15Å; W1753-I1770 HydrophobicContact CH2-CD1 3.82Å; W1753-I1770 HydrophobicContact CZ2-CD1 4.09Å; W1753-I1770 HydrophobicContact CZ3-CD1 3.84Å; W1753-W1778 HydrophobicContact CZ3-CH2 4.28Å; W1753-W1778 HydrophobicContact CZ3-CZ3 4.09Å; W1753-L1785 HydrophobicContact CH2-CD2 4.15Å; W1753-L1785 HydrophobicContact CZ3-CD2 3.82Å; W1753-V1800 HydrophobicContact CH2-CG2 3.96Å; W1753-V1800 HydrophobicContact CZ2-CG2 3.84Å; W1753-L1803 HydrophobicContact CH2-CD2 4.23Å; W1753-L1803 HydrophobicContact CZ3-CD2 4.44Å |
| 1754 | F | 76.2 | Confident | 77.7 | Confident | 14 Ų | 14 | 30.5 Ų | 30.5 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.9 | -39.9 | -178.4 | -63.1 | -32.9 | 0 | 0 | 0 | 112.7 | L1750 T1751 L1785 R1788 R1793 V1796 V1800 | L1750-F1754 HydrophobicContact CB-CD2 4.38Å; L1750-F1754 HydrophobicContact CB-CE2 4.06Å; L1750-F1754 HydrophobicContact CD2-CE1 4.16Å; L1750-F1754 HydrophobicContact CD2-CE2 3.81Å; L1750-F1754 HydrophobicContact CD2-CZ 3.52Å; L1750-F1754 HydrophobicContact CG-CE2 4.47Å; L1750-F1754 WeakPolarHBondContact O-CB 3.48Å; L1750-F1754 VanDerWaalsContact O-CD2 3.28Å; L1750-F1754 WeakPolarHBondContact O-CD2 3.28Å; L1750-F1754 VanDerWaalsContact O-CG 3.29Å; L1750-F1754 WeakPolarHBondContact O-CG 3.25Å; L1750-F1754 PolarHBondContact O-N 2.99Å; T1751-F1754 PolarHBondContact O-N 3.02Å; F1754-L1785 HydrophobicContact CZ-CD2 4.26Å; F1754-R1788 HydrophobicContact CD2-CG 4.13Å; F1754-R1788 HydrophobicContact CE1-CB 4.1Å; F1754-R1788 HydrophobicContact CE1-CG 4.36Å; F1754-R1788 HydrophobicContact CE2-CB 4.45Å; F1754-R1788 HydrophobicContact CE2-CG 3.88Å; F1754-R1788 HydrophobicContact CG-CG 4.47Å; F1754-R1788 HydrophobicContact CZ-CB 4.04Å; F1754-R1788 HydrophobicContact CZ-CG 3.98Å; F1754-R1793 PolarHBondContact O-NH1 3.2Å; F1754-V1796 HydrophobicContact CD1-CG1 3.8Å; F1754-V1796 HydrophobicContact CE1-CG1 4.36Å; F1754-V1800 HydrophobicContact CE1-CG2 3.93Å |
| 1755 | D | 75.2 | Confident | 78.2 | Confident | 44 Ų | 44 | 31.7 Ų | 31.7 | 24% | 0.235 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -79 | -35.4 | -177.6 | -80.6 | 10.1 | 0 | 0 | 0 | 112.9 | K1683 T1751 H1758 R1793 | K1683-D1755 IonicContact NZ-OD2 3.56Å; K1683-D1755 PolarHBondContact NZ-OD2 2.91Å; T1751-D1755 WeakPolarHBondContact O-CB 3.37Å; T1751-D1755 PolarHBondContact O-N 3.07Å; D1755-H1758 PolarHBondContact O-CE1 3.12Å; D1755-H1758 VanDerWaalsContact O-CE1 3.24Å; D1755-H1758 PolarHBondContact O-ND1 3.05Å; D1755-R1793 VanDerWaalsContact C-NH1 3.27Å; D1755-R1793 PolarHBondContact O-NH1 3.05Å |
| 1756 | Y | 79 | Confident | 78.5 | Confident | 22 Ų | 22 | 31.8 Ų | 31.8 | 9% | 0.086 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -122.8 | -8.3 | -171.2 | -53 | -81.6 | 0 | 0 | 0 | 114.5 | L1679 K1683 I1720 V1752 H1758 I1759 | L1679-Y1756 HydrophobicContact CD2-CD2 3.85Å; L1679-Y1756 HydrophobicContact CD2-CE2 3.29Å; L1679-Y1756 HydrophobicContact CG-CE2 4.13Å; K1683-Y1756 WeakPolarHBondContact CD-OH 3.49Å; I1720-Y1756 HydrophobicContact CG2-CD1 3.84Å; I1720-Y1756 HydrophobicContact CG2-CE1 3.53Å; V1752-Y1756 HydrophobicContact CG1-CD2 4.23Å; V1752-Y1756 WeakPolarHBondContact O-CA 3.18Å; V1752-Y1756 WeakPolarHBondContact O-CB 3.45Å; V1752-Y1756 PolarHBondContact O-N 3.31Å; Y1756-H1758 PolarHBondContact O-N 2.96Å; Y1756-I1759 HydrophobicContact CD1-CD1 4.49Å; Y1756-I1759 WeakPolarHBondContact O-CB 3.25Å; Y1756-I1759 WeakPolarHBondContact O-CG1 3.4Å; Y1756-I1759 PolarHBondContact O-N 3.38Å |
| 1757 | G | 73.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 3.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | W1753 I1759 | W1753-G1757 WeakPolarHBondContact O-CA 3.32Å; W1753-G1757 PolarHBondContact O-N 2.84Å; G1757-I1759 VanDerWaalsContact C-N 3.32Å |
| 1758 | H | 79.8 | Confident | 78.9 | Confident | 81 Ų | 81 | 38.5 Ų | 38.5 | 38% | 0.375 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -16 | 166.5 | 67.8 | -75.6 | 0 | 0 | 0 | 112.3 | D1755 Y1756 R1793 | D1755-H1758 PolarHBondContact O-CE1 3.12Å; D1755-H1758 VanDerWaalsContact O-CE1 3.24Å; D1755-H1758 PolarHBondContact O-ND1 3.05Å; Y1756-H1758 PolarHBondContact O-N 2.96Å; H1758-R1793 HydrophobicContact CB-CG 4.49Å; H1758-R1793 PolarHBondContact ND1-NH1 3.22Å |
| 1759 | I | 80.8 | Confident | 79.2 | Confident | 33 Ų | 33 | 41 Ų | 41 | 17% | 0.169 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -76.5 | 125 | 173.8 | -57.7 | 172.3 | 0 | 0 | 0 | 107.6 | T1721 Y1756 G1757 E1761 V1762 Y1763 | T1721-I1759 HydrophobicContact CG2-CG2 4.05Å; Y1756-I1759 HydrophobicContact CD1-CD1 4.49Å; Y1756-I1759 WeakPolarHBondContact O-CB 3.25Å; Y1756-I1759 WeakPolarHBondContact O-CG1 3.4Å; Y1756-I1759 PolarHBondContact O-N 3.38Å; G1757-I1759 VanDerWaalsContact C-N 3.32Å; I1759-E1761 VanDerWaalsContact C-N 3.31Å; I1759-E1761 HydrophobicContact CG2-CB 4.48Å; I1759-E1761 PolarHBondContact O-N 3.31Å; I1759-V1762 HydrophobicContact CB-CB 4.29Å; I1759-V1762 HydrophobicContact CB-CG2 4.05Å; I1759-V1762 HydrophobicContact CG2-CG2 4.18Å; I1759-V1762 PolarHBondContact O-N 2.72Å; I1759-V1762 VanDerWaalsContact O-N 3.14Å; I1759-Y1763 WeakPolarHBondContact O-CB 3.46Å; I1759-Y1763 PolarHBondContact O-N 3.01Å |
| 1760 | P | 77.8 | Confident | 78.9 | Confident | 84 Ų | 84 | 42 Ų | 42 | 55% | 0.545 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -55.9 | -42.4 | -173.6 | -25 | 32.4 | 0 | 0 | 0 | 113.6 | V1762 Y1763 D1764 | P1760-V1762 VanDerWaalsContact C-N 3.32Å; P1760-V1762 PolarHBondContact O-N 3.38Å; P1760-Y1763 WeakPolarHBondContact O-CB 3.44Å; P1760-Y1763 PolarHBondContact O-N 3.1Å; P1760-D1764 PolarHBondContact O-N 2.86Å |
| 1761 | E | 80.9 | Confident | 78.8 | Confident | 119 Ų | 119 | 50.1 Ų | 50.1 | 56% | 0.556 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.7 | -36.5 | -178.5 | -64.5 | 157.7 | -174.6 | 0 | 0 | 112.4 | T1721 I1725 I1759 M1765 | T1721-E1761 VanDerWaalsContact CG2-OE2 3.24Å; T1721-E1761 WeakPolarHBondContact CG2-OE2 3.16Å; I1725-E1761 HydrophobicContact CD1-CB 4.19Å; I1759-E1761 VanDerWaalsContact C-N 3.31Å; I1759-E1761 HydrophobicContact CG2-CB 4.48Å; I1759-E1761 PolarHBondContact O-N 3.31Å; E1761-M1765 PolarHBondContact O-N 3.27Å |
| 1762 | V | 80.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -75.9 | -40.3 | 176.3 | -177.6 | 0 | 0 | 0 | 0 | 110 | T1721 A1724 I1725 V1728 I1759 P1760 M1765 I1766 | T1721-V1762 HydrophobicContact CG2-CG2 4.24Å; A1724-V1762 HydrophobicContact CB-CG2 4.04Å; I1725-V1762 HydrophobicContact CG1-CG2 4.2Å; V1728-V1762 HydrophobicContact CG2-CG1 4.44Å; I1759-V1762 HydrophobicContact CB-CB 4.29Å; I1759-V1762 HydrophobicContact CB-CG2 4.05Å; I1759-V1762 HydrophobicContact CG2-CG2 4.18Å; I1759-V1762 PolarHBondContact O-N 2.72Å; I1759-V1762 VanDerWaalsContact O-N 3.14Å; P1760-V1762 VanDerWaalsContact C-N 3.32Å; P1760-V1762 PolarHBondContact O-N 3.38Å; V1762-M1765 PolarHBondContact O-N 3.22Å; V1762-I1766 HydrophobicContact CG1-CD1 3.81Å; V1762-I1766 HydrophobicContact CG1-CG1 4.39Å; V1762-I1766 WeakPolarHBondContact O-CB 3.31Å; V1762-I1766 VanDerWaalsContact O-CG1 3.24Å; V1762-I1766 WeakPolarHBondContact O-CG1 3.46Å; V1762-I1766 PolarHBondContact O-N 2.85Å |
| 1763 | Y | 81.3 | Confident | 78.9 | Confident | 44 Ų | 44 | 52.9 Ų | 52.9 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.7 | -51.4 | 176.7 | 177.2 | -97.6 | 0 | 0 | 0 | 112.2 | I1759 P1760 M1765 I1766 V1767 L1795 | I1759-Y1763 WeakPolarHBondContact O-CB 3.46Å; I1759-Y1763 PolarHBondContact O-N 3.01Å; P1760-Y1763 WeakPolarHBondContact O-CB 3.44Å; P1760-Y1763 PolarHBondContact O-N 3.1Å; Y1763-M1765 PolarHBondContact O-N 3.46Å; Y1763-I1766 PolarHBondContact O-N 3.39Å; Y1763-I1766 VanDerWaalsContact O-N 3.11Å; Y1763-V1767 HydrophobicContact CD1-CG2 4.21Å; Y1763-V1767 HydrophobicContact CD2-CG2 4.32Å; Y1763-V1767 HydrophobicContact CE1-CG2 3.78Å; Y1763-V1767 HydrophobicContact CE2-CG2 3.9Å; Y1763-V1767 HydrophobicContact CG-CG2 4.47Å; Y1763-V1767 WeakPolarHBondContact O-CG2 2.84Å; Y1763-V1767 PolarHBondContact O-N 3.14Å; Y1763-L1795 HydrophobicContact CD2-CB 4.09Å; Y1763-L1795 HydrophobicContact CE1-CD2 4.36Å; Y1763-L1795 HydrophobicContact CE2-CB 4.15Å; Y1763-L1795 HydrophobicContact CE2-CD2 4.49Å; Y1763-L1795 WeakPolarHBondContact CE2-O 3.42Å |
| 1764 | D | 81.4 | Confident | 78.5 | Confident | 102 Ų | 102 | 56 Ų | 56 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.3 | -40.3 | -179.7 | -73.4 | -18.8 | 0 | 0 | 0 | 110.9 | P1760 V1767 D1768 | P1760-D1764 PolarHBondContact O-N 2.86Å; D1764-V1767 PolarHBondContact O-N 3.18Å; D1764-D1768 WeakPolarHBondContact O-CB 3.46Å; D1764-D1768 PolarHBondContact O-N 3.21Å; D1764-D1768 VanDerWaalsContact O-N 3.09Å |
| 1765 | M | 81.1 | Confident | 78.2 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.7 | -39 | 177.2 | -159.4 | 54.3 | 40.9 | 0 | 0 | 112.9 | I1725 V1728 E1761 V1762 Y1763 R1769 | I1725-M1765 HydrophobicContact CG2-CG 4.37Å; V1728-M1765 HydrophobicContact CG1-CG 4.48Å; E1761-M1765 PolarHBondContact O-N 3.27Å; V1762-M1765 PolarHBondContact O-N 3.22Å; Y1763-M1765 PolarHBondContact O-N 3.46Å; M1765-R1769 WeakPolarHBondContact O-CB 3.23Å; M1765-R1769 VanDerWaalsContact O-CG 3.28Å; M1765-R1769 WeakPolarHBondContact O-CG 3.21Å; M1765-R1769 PolarHBondContact O-N 3.47Å; M1765-R1769 HydrophobicContact SD-CG 4.35Å |
| 1766 | I | 81.1 | Confident | 77.7 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.5 | -48 | 176.6 | -73.1 | 172 | 0 | 0 | 0 | 110.3 | V1728 W1753 V1762 Y1763 D1768 R1769 I1770 | V1728-I1766 HydrophobicContact CG1-CG1 3.81Å; V1728-I1766 HydrophobicContact CG2-CD1 4.31Å; V1728-I1766 HydrophobicContact CG2-CG1 4.01Å; W1753-I1766 HydrophobicContact CB-CD1 3.81Å; W1753-I1766 HydrophobicContact CD2-CG2 4.15Å; W1753-I1766 HydrophobicContact CG-CD1 3.82Å; W1753-I1766 HydrophobicContact CG-CG2 4.13Å; V1762-I1766 HydrophobicContact CG1-CD1 3.81Å; V1762-I1766 HydrophobicContact CG1-CG1 4.39Å; V1762-I1766 WeakPolarHBondContact O-CB 3.31Å; V1762-I1766 VanDerWaalsContact O-CG1 3.24Å; V1762-I1766 WeakPolarHBondContact O-CG1 3.46Å; V1762-I1766 PolarHBondContact O-N 2.85Å; Y1763-I1766 PolarHBondContact O-N 3.39Å; Y1763-I1766 VanDerWaalsContact O-N 3.11Å; I1766-D1768 VanDerWaalsContact C-N 3.31Å; I1766-D1768 PolarHBondContact O-N 3.33Å; I1766-R1769 PolarHBondContact O-N 3.23Å; I1766-I1770 HydrophobicContact CG2-CD1 3.32Å; I1766-I1770 HydrophobicContact CG2-CG1 3.87Å; I1766-I1770 VanDerWaalsContact O-CB 3.28Å; I1766-I1770 WeakPolarHBondContact O-CB 3.19Å; I1766-I1770 WeakPolarHBondContact O-CG1 3.27Å; I1766-I1770 PolarHBondContact O-N 2.81Å |
| 1767 | V | 79.4 | Confident | 77.3 | Confident | 54 Ų | 54 | 61.6 Ų | 61.6 | 33% | 0.327 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | -178.8 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | Y1763 D1764 | Y1763-V1767 HydrophobicContact CD1-CG2 4.21Å; Y1763-V1767 HydrophobicContact CD2-CG2 4.32Å; Y1763-V1767 HydrophobicContact CE1-CG2 3.78Å; Y1763-V1767 HydrophobicContact CE2-CG2 3.9Å; Y1763-V1767 HydrophobicContact CG-CG2 4.47Å; Y1763-V1767 WeakPolarHBondContact O-CG2 2.84Å; Y1763-V1767 PolarHBondContact O-N 3.14Å; D1764-V1767 PolarHBondContact O-N 3.18Å |
| 1768 | D | 81.3 | Confident | 77.3 | Confident | 97 Ų | 97 | 61.9 Ų | 61.9 | 52% | 0.519 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.7 | -42.8 | 177.9 | -164.8 | 43.5 | 0 | 0 | 0 | 111.8 | D1764 I1766 | D1764-D1768 WeakPolarHBondContact O-CB 3.46Å; D1764-D1768 PolarHBondContact O-N 3.21Å; D1764-D1768 VanDerWaalsContact O-N 3.09Å; I1766-D1768 VanDerWaalsContact C-N 3.31Å; I1766-D1768 PolarHBondContact O-N 3.33Å |
| 1769 | R | 79.7 | Confident | 76.7 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -82.3 | -29.5 | -176 | -66.2 | -68.9 | -179.1 | -150 | -3.7 | 114.6 | C1732 M1765 I1766 K1771 T1772 | C1732-R1769 HydrophobicContact CB-CB 4.18Å; M1765-R1769 WeakPolarHBondContact O-CB 3.23Å; M1765-R1769 VanDerWaalsContact O-CG 3.28Å; M1765-R1769 WeakPolarHBondContact O-CG 3.21Å; M1765-R1769 PolarHBondContact O-N 3.47Å; M1765-R1769 HydrophobicContact SD-CG 4.35Å; I1766-R1769 PolarHBondContact O-N 3.23Å; R1769-K1771 PolarHBondContact O-N 3.48Å; R1769-T1772 WeakPolarHBondContact O-CB 3.36Å; R1769-T1772 PolarHBondContact O-N 3.42Å; R1769-T1772 PolarHBondContact O-OG1 3.39Å |
| 1770 | I | 75.8 | Confident | 76 | Confident | 26 Ų | 26 | 62.6 Ų | 62.6 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.7 | -35.7 | 179 | -82.4 | -179.3 | 0 | 0 | 0 | 111.7 | W1753 I1766 T1772 V1773 W1778 | W1753-I1770 HydrophobicContact CD2-CD1 4.44Å; W1753-I1770 HydrophobicContact CE3-CD1 4.15Å; W1753-I1770 HydrophobicContact CH2-CD1 3.82Å; W1753-I1770 HydrophobicContact CZ2-CD1 4.09Å; W1753-I1770 HydrophobicContact CZ3-CD1 3.84Å; I1766-I1770 HydrophobicContact CG2-CD1 3.32Å; I1766-I1770 HydrophobicContact CG2-CG1 3.87Å; I1766-I1770 VanDerWaalsContact O-CB 3.28Å; I1766-I1770 WeakPolarHBondContact O-CB 3.19Å; I1766-I1770 WeakPolarHBondContact O-CG1 3.27Å; I1766-I1770 PolarHBondContact O-N 2.81Å; I1770-T1772 PolarHBondContact O-N 3.23Å; I1770-V1773 PolarHBondContact O-N 2.79Å; I1770-V1773 VanDerWaalsContact O-N 3.13Å; I1770-W1778 HydrophobicContact CB-CZ2 4.33Å; I1770-W1778 HydrophobicContact CD1-CH2 4.2Å; I1770-W1778 HydrophobicContact CD1-CZ2 4.26Å; I1770-W1778 HydrophobicContact CG1-CH2 4.1Å; I1770-W1778 HydrophobicContact CG1-CZ2 3.81Å; I1770-W1778 HydrophobicContact CG2-CZ2 4Å |
| 1771 | K | 75.5 | Confident | 75.8 | Confident | 174 Ų | 174 | 58.6 Ų | 58.6 | 76% | 0.757 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.3 | 178 | -66.8 | 179.9 | -177.4 | 173.7 | 0 | 114 | R1769 | R1769-K1771 PolarHBondContact O-N 3.48Š|
| 1772 | T | 80.6 | Confident | 75.4 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -15.1 | 178.6 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | R1769 I1770 | R1769-T1772 WeakPolarHBondContact O-CB 3.36Å; R1769-T1772 PolarHBondContact O-N 3.42Å; R1769-T1772 PolarHBondContact O-OG1 3.39Å; I1770-T1772 PolarHBondContact O-N 3.23Å |
| 1773 | V | 74.3 | Confident | 74.6 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -88.5 | 134.1 | 179.6 | -179 | 0 | 0 | 0 | 0 | 109.5 | V1735 V1736 I1770 T1777 W1778 | V1735-V1773 HydrophobicContact CG1-CG1 3.79Å; V1735-V1773 HydrophobicContact CG1-CG2 4.49Å; V1736-V1773 HydrophobicContact CG2-CG2 4.39Å; I1770-V1773 PolarHBondContact O-N 2.79Å; I1770-V1773 VanDerWaalsContact O-N 3.13Å; V1773-T1777 HydrophobicContact CG1-CG2 4.13Å; V1773-W1778 HydrophobicContact CB-CZ2 4.41Å; V1773-W1778 HydrophobicContact CG1-CZ2 4.43Å |
| 1774 | S | 73.9 | Confident | 74.1 | Confident | 67 Ų | 67 | 53.4 Ų | 53.4 | 47% | 0.469 | 28% | 0.275 | S | S | . | . | trans | -60.9 | 144.5 | -179.8 | 86.2 | 0 | 0 | 0 | 0 | 112.3 | A1776 T1777 | S1774-A1776 PolarHBondContact O-N 3.26Å; S1774-T1777 WeakPolarHBondContact O-CB 3.25Å; S1774-T1777 PolarHBondContact O-N 2.86Å; S1774-T1777 VanDerWaalsContact O-N 3.09Å; S1774-T1777 PolarHBondContact O-OG1 3.38Å; S1774-T1777 PolarHBondContact OG-OG1 3.49Å | ||
| 1775 | F | 69.2 | Low | 73.7 | Confident | 156 Ų | 156 | 48.6 Ų | 48.6 | 68% | 0.684 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -55.9 | -32.2 | 174.9 | -69.2 | -75 | 0 | 0 | 0 | 113.4 | T1777 W1778 | F1775-T1777 PolarHBondContact O-N 3.33Å; F1775-T1777 VanDerWaalsContact O-N 3.17Å; F1775-W1778 PolarHBondContact O-N 3.43Å |
| 1776 | A | 64.2 | Low | 73.2 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 24% | 0.24 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.4 | -28.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1774 P1948 | S1774-A1776 PolarHBondContact O-N 3.26Å; A1776-P1948 HydrophobicContact CB-CB 3.66Å; A1776-P1948 HydrophobicContact CB-CG 4.11Å |
| 1777 | T | 70.8 | Confident | 72.4 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 9% | 0.086 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.2 | -36.5 | -179 | -42.4 | 0 | 0 | 0 | 0 | 112.1 | V1735 S1742 T1746 V1773 S1774 F1775 L1779 Q1780 | V1735-T1777 HydrophobicContact CG1-CG2 3.74Å; S1742-T1777 WeakPolarHBondContact OG-CG2 3.34Å; T1746-T1777 HydrophobicContact CG2-CG2 4.31Å; V1773-T1777 HydrophobicContact CG1-CG2 4.13Å; S1774-T1777 WeakPolarHBondContact O-CB 3.25Å; S1774-T1777 PolarHBondContact O-N 2.86Å; S1774-T1777 VanDerWaalsContact O-N 3.09Å; S1774-T1777 PolarHBondContact O-OG1 3.38Å; S1774-T1777 PolarHBondContact OG-OG1 3.49Å; F1775-T1777 PolarHBondContact O-N 3.33Å; F1775-T1777 VanDerWaalsContact O-N 3.17Å; T1777-L1779 VanDerWaalsContact C-N 3.34Å; T1777-L1779 PolarHBondContact O-N 3.43Å; T1777-Q1780 PolarHBondContact O-N 3.12Å |
| 1778 | W | 73.1 | Confident | 71.9 | Confident | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.9 | -26.3 | -178.5 | -63.2 | 110.9 | 0 | 0 | 0 | 113.1 | T1746 L1749 L1750 W1753 I1770 V1773 F1775 Q1780 V1781 I1782 L1785 L1803 | T1746-W1778 HydrophobicContact CG2-CZ3 4.36Å; L1749-W1778 HydrophobicContact CD2-CH2 4.3Å; L1750-W1778 HydrophobicContact CD2-CZ3 4.41Å; W1753-W1778 HydrophobicContact CZ3-CH2 4.28Å; W1753-W1778 HydrophobicContact CZ3-CZ3 4.09Å; I1770-W1778 HydrophobicContact CB-CZ2 4.33Å; I1770-W1778 HydrophobicContact CD1-CH2 4.2Å; I1770-W1778 HydrophobicContact CD1-CZ2 4.26Å; I1770-W1778 HydrophobicContact CG1-CH2 4.1Å; I1770-W1778 HydrophobicContact CG1-CZ2 3.81Å; I1770-W1778 HydrophobicContact CG2-CZ2 4Å; V1773-W1778 HydrophobicContact CB-CZ2 4.41Å; V1773-W1778 HydrophobicContact CG1-CZ2 4.43Å; F1775-W1778 PolarHBondContact O-N 3.43Å; W1778-Q1780 PolarHBondContact O-N 3.29Å; W1778-V1781 HydrophobicContact CE3-CG2 3.87Å; W1778-V1781 HydrophobicContact CZ3-CG2 4.47Å; W1778-V1781 CarbonylContact O-C 3.56Å; W1778-V1781 WeakPolarHBondContact O-CG2 3.42Å; W1778-V1781 PolarHBondContact O-N 2.79Å; W1778-I1782 PolarHBondContact O-N 2.53Å; W1778-I1782 VanDerWaalsContact O-N 3.13Å; W1778-L1785 HydrophobicContact CE3-CD1 4.45Å; W1778-L1803 HydrophobicContact CD2-CD2 3.95Å; W1778-L1803 HydrophobicContact CE3-CD2 3.97Å; W1778-L1803 HydrophobicContact CG-CD1 4.47Å; W1778-L1803 HydrophobicContact CG-CD2 4.22Å |
| 1779 | L | 67.1 | Low | 71.5 | Confident | 60 Ų | 60 | 48.1 Ų | 48.1 | 31% | 0.314 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.8 | -33.5 | 175.4 | -75.9 | 154.7 | 0 | 0 | 0 | 112.3 | T1777 V1781 I1782 Y1946 | T1777-L1779 VanDerWaalsContact C-N 3.34Å; T1777-L1779 PolarHBondContact O-N 3.43Å; L1779-V1781 PolarHBondContact O-N 3.3Å; L1779-I1782 HydrophobicContact CD2-CD1 3.73Å; L1779-I1782 HydrophobicContact CG-CD1 4.48Å; L1779-Y1946 HydrophobicContact CD1-CD1 4.48Å; L1779-Y1946 HydrophobicContact CD1-CE1 3.42Å; L1779-Y1946 VanDerWaalsContact CD1-CE1 3.42Å; L1779-Y1946 WeakPolarHBondContact CD1-OH 3.3Å; L1779-Y1946 HydrophobicContact CD2-CE1 4.45Å; L1779-Y1946 HydrophobicContact CG-CE1 4.41Å |
| 1780 | Q | 66.5 | Low | 70.9 | Confident | 69 Ų | 69 | 50.4 Ų | 50.4 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -16.3 | -179.8 | -58.9 | -176.9 | -1.7 | 0 | 0 | 113.8 | N1741 L1743 T1777 W1778 Q2002 | N1741-Q1780 PolarHBondContact OD1-OE1 3.03Å; L1743-Q1780 HydrophobicContact CD1-CB 4.02Å; T1777-Q1780 PolarHBondContact O-N 3.12Å; W1778-Q1780 PolarHBondContact O-N 3.29Å; Q1780-Q2002 PolarHBondContact O-NE2 3.31Å |
| 1781 | V | 73.2 | Confident | 70.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | 11.9 | -174.2 | -65.8 | 0 | 0 | 0 | 0 | 113.4 | L1743 T1746 L1747 L1750 W1778 L1779 Q1784 L1785 | L1743-V1781 HydrophobicContact CD1-CG1 3.71Å; T1746-V1781 HydrophobicContact CG2-CG1 4.19Å; T1746-V1781 HydrophobicContact CG2-CG2 4.07Å; L1747-V1781 HydrophobicContact CD2-CG1 4.15Å; L1750-V1781 HydrophobicContact CD1-CB 3.66Å; L1750-V1781 HydrophobicContact CD1-CG1 3.86Å; L1750-V1781 HydrophobicContact CD1-CG2 3.86Å; W1778-V1781 HydrophobicContact CE3-CG2 3.87Å; W1778-V1781 HydrophobicContact CZ3-CG2 4.47Å; W1778-V1781 CarbonylContact O-C 3.56Å; W1778-V1781 WeakPolarHBondContact O-CG2 3.42Å; W1778-V1781 PolarHBondContact O-N 2.79Å; L1779-V1781 PolarHBondContact O-N 3.3Å; V1781-Q1784 VanDerWaalsContact CA-OE1 3.29Å; V1781-Q1784 WeakPolarHBondContact O-CB 3.34Å; V1781-Q1784 PolarHBondContact O-N 3.42Å; V1781-Q1784 PolarHBondContact O-OE1 3.05Å; V1781-L1785 PolarHBondContact O-N 3.22Å; V1781-L1785 VanDerWaalsContact O-N 3.11Å |
| 1782 | I | 72.3 | Confident | 70.3 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -47.3 | -45.8 | 170.8 | -76.2 | 172.5 | 0 | 0 | 0 | 111.9 | W1778 L1779 Q1784 L1785 I1786 L1804 I1807 | W1778-I1782 PolarHBondContact O-N 2.53Å; W1778-I1782 VanDerWaalsContact O-N 3.13Å; L1779-I1782 HydrophobicContact CD2-CD1 3.73Å; L1779-I1782 HydrophobicContact CG-CD1 4.48Å; I1782-Q1784 VanDerWaalsContact C-N 3.27Å; I1782-Q1784 PolarHBondContact O-N 3.39Å; I1782-L1785 WeakPolarHBondContact O-CB 3.49Å; I1782-L1785 PolarHBondContact O-N 3.26Å; I1782-L1785 VanDerWaalsContact O-N 3.11Å; I1782-I1786 HydrophobicContact CG2-CD1 3.61Å; I1782-I1786 HydrophobicContact CG2-CG1 4.15Å; I1782-I1786 WeakPolarHBondContact O-CG1 3.47Å; I1782-I1786 PolarHBondContact O-N 3.01Å; I1782-L1804 HydrophobicContact CG2-CD2 4.36Å; I1782-I1807 HydrophobicContact CD1-CD1 4.21Å; I1782-I1807 HydrophobicContact CD1-CG2 3.71Å; I1782-I1807 HydrophobicContact CG1-CD1 4.09Å |
| 1783 | P | 65.3 | Low | 70 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.7 | -40.9 | -178.5 | -22.9 | 35.3 | 0 | 0 | 0 | 111.1 | L1785 I1786 A1787 R1999 | P1783-L1785 VanDerWaalsContact C-N 3.33Å; P1783-L1785 PolarHBondContact O-N 3.12Å; P1783-I1786 PolarHBondContact O-N 2.69Å; P1783-A1787 PolarHBondContact O-N 3.43Å; P1783-A1787 VanDerWaalsContact O-N 3.1Å; P1783-R1999 VanDerWaalsContact CB-NE 3.33Å; P1783-R1999 VanDerWaalsContact CB-NH2 3.29Å; P1783-R1999 PolarHBondContact O-NH1 3.12Å; P1783-R1999 PolarHBondContact O-NH2 3.44Å |
| 1784 | Q | 70.2 | Confident | 70 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 177.9 | -73.8 | 66 | 27.5 | 0 | 0 | 112.2 | L1747 L1750 V1781 I1782 Q2002 A2237 | L1747-Q1784 HydrophobicContact CD2-CG 4.18Å; L1750-Q1784 HydrophobicContact CD1-CB 4.26Å; V1781-Q1784 VanDerWaalsContact CA-OE1 3.29Å; V1781-Q1784 WeakPolarHBondContact O-CB 3.34Å; V1781-Q1784 PolarHBondContact O-N 3.42Å; V1781-Q1784 PolarHBondContact O-OE1 3.05Å; I1782-Q1784 VanDerWaalsContact C-N 3.27Å; I1782-Q1784 PolarHBondContact O-N 3.39Å; Q1784-Q2002 VanDerWaalsContact NE2-NE2 3.18Å; Q1784-A2237 HydrophobicContact CG-CB 4.25Å |
| 1785 | L | 73.7 | Confident | 70.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.5 | -45.8 | 176.7 | -67.9 | 167.1 | 0 | 0 | 0 | 111.2 | L1750 W1753 F1754 W1778 V1781 I1782 P1783 A1787 R1788 I1789 V1800 L1803 L1804 | L1750-L1785 HydrophobicContact CD2-CD2 3.79Å; W1753-L1785 HydrophobicContact CH2-CD2 4.15Å; W1753-L1785 HydrophobicContact CZ3-CD2 3.82Å; F1754-L1785 HydrophobicContact CZ-CD2 4.26Å; W1778-L1785 HydrophobicContact CE3-CD1 4.45Å; V1781-L1785 PolarHBondContact O-N 3.22Å; V1781-L1785 VanDerWaalsContact O-N 3.11Å; I1782-L1785 WeakPolarHBondContact O-CB 3.49Å; I1782-L1785 PolarHBondContact O-N 3.26Å; I1782-L1785 VanDerWaalsContact O-N 3.11Å; P1783-L1785 VanDerWaalsContact C-N 3.33Å; P1783-L1785 PolarHBondContact O-N 3.12Å; L1785-A1787 VanDerWaalsContact C-N 3.33Å; L1785-A1787 PolarHBondContact O-N 3.34Å; L1785-R1788 PolarHBondContact O-N 3Å; L1785-I1789 PolarHBondContact O-N 3.43Å; L1785-V1800 HydrophobicContact CB-CG1 4.15Å; L1785-V1800 HydrophobicContact CD2-CG1 4.24Å; L1785-V1800 HydrophobicContact CD2-CG2 4.25Å; L1785-V1800 WeakPolarHBondContact O-CG1 3.17Å; L1785-L1803 HydrophobicContact CD1-CD2 3.66Å; L1785-L1803 HydrophobicContact CD2-CD2 4.23Å; L1785-L1804 HydrophobicContact CB-CD1 4.31Å; L1785-L1804 HydrophobicContact CB-CD2 4.17Å; L1785-L1804 HydrophobicContact CB-CG 4.33Å |
| 1786 | I | 69.6 | Low | 70.4 | Confident | 88 Ų | 88 | 47.4 Ų | 47.4 | 45% | 0.451 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 178.2 | -66.8 | 174.5 | 0 | 0 | 0 | 111 | I1782 P1783 R1788 I1789 L1804 | I1782-I1786 HydrophobicContact CG2-CD1 3.61Å; I1782-I1786 HydrophobicContact CG2-CG1 4.15Å; I1782-I1786 WeakPolarHBondContact O-CG1 3.47Å; I1782-I1786 PolarHBondContact O-N 3.01Å; P1783-I1786 PolarHBondContact O-N 2.69Å; I1786-R1788 PolarHBondContact O-N 3.14Å; I1786-I1789 WeakPolarHBondContact O-CB 3.25Å; I1786-I1789 PolarHBondContact O-N 2.96Å; I1786-L1804 HydrophobicContact CG1-CD1 4.06Å; I1786-L1804 HydrophobicContact CG1-CD2 3.92Å |
| 1787 | A | 65.3 | Low | 70.8 | Confident | 12 Ų | 12 | 47 Ų | 47 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -18 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P1783 L1785 D2241 | P1783-A1787 PolarHBondContact O-N 3.43Å; P1783-A1787 VanDerWaalsContact O-N 3.1Å; L1785-A1787 VanDerWaalsContact C-N 3.33Å; L1785-A1787 PolarHBondContact O-N 3.34Å; A1787-D2241 HydrophobicContact CB-CB 4.28Å; A1787-D2241 WeakPolarHBondContact CB-OD2 3.12Å |
| 1788 | R | 69.4 | Low | 71.2 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 12.6 | -178.5 | -62.8 | -61.2 | -176.4 | 94.4 | -3.8 | 113.4 | F1754 L1785 I1786 D1790 T1791 | F1754-R1788 HydrophobicContact CD2-CG 4.13Å; F1754-R1788 HydrophobicContact CE1-CB 4.1Å; F1754-R1788 HydrophobicContact CE1-CG 4.36Å; F1754-R1788 HydrophobicContact CE2-CB 4.45Å; F1754-R1788 HydrophobicContact CE2-CG 3.88Å; F1754-R1788 HydrophobicContact CG-CG 4.47Å; F1754-R1788 HydrophobicContact CZ-CB 4.04Å; F1754-R1788 HydrophobicContact CZ-CG 3.98Å; L1785-R1788 PolarHBondContact O-N 3Å; I1786-R1788 PolarHBondContact O-N 3.14Å; R1788-D1790 PolarHBondContact O-N 3.36Å; R1788-T1791 HydrophobicContact CB-CG2 3.96Å; R1788-T1791 HydrophobicContact CG-CG2 4.45Å; R1788-T1791 WeakPolarHBondContact O-CB 3.4Å; R1788-T1791 PolarHBondContact O-N 3.1Å; R1788-T1791 VanDerWaalsContact O-N 3.16Å; R1788-T1791 PolarHBondContact O-OG1 2.94Å |
| 1789 | I | 71.2 | Confident | 71.2 | Confident | 56 Ų | 56 | 55.5 Ų | 55.5 | 29% | 0.287 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -32.5 | -179.3 | -145.1 | 171.1 | 0 | 0 | 0 | 111.8 | L1785 I1786 T1791 S1797 I1801 L1804 | L1785-I1789 PolarHBondContact O-N 3.43Å; I1786-I1789 WeakPolarHBondContact O-CB 3.25Å; I1786-I1789 PolarHBondContact O-N 2.96Å; I1789-T1791 PolarHBondContact O-N 2.88Å; I1789-S1797 PolarHBondContact O-OG 3.17Å; I1789-I1801 HydrophobicContact CD1-CG1 4.23Å; I1789-I1801 HydrophobicContact CG1-CD1 4.38Å; I1789-I1801 HydrophobicContact CG1-CG1 3.65Å; I1789-L1804 HydrophobicContact CD1-CD1 3.78Å; I1789-L1804 HydrophobicContact CG1-CD1 4.23Å |
| 1790 | D | 67.8 | Low | 71.6 | Confident | 124 Ų | 124 | 52.6 Ų | 52.6 | 66% | 0.663 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 17.5 | -178.1 | -54.8 | -27.9 | 0 | 0 | 0 | 113.7 | R1788 | R1788-D1790 PolarHBondContact O-N 3.36Š|
| 1791 | T | 69.4 | Low | 72 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | trans | -60 | 135.8 | -177.9 | 30.8 | 0 | 0 | 0 | 0 | 111.7 | R1788 I1789 R1793 | R1788-T1791 HydrophobicContact CB-CG2 3.96Å; R1788-T1791 HydrophobicContact CG-CG2 4.45Å; R1788-T1791 WeakPolarHBondContact O-CB 3.4Å; R1788-T1791 PolarHBondContact O-N 3.1Å; R1788-T1791 VanDerWaalsContact O-N 3.16Å; R1788-T1791 PolarHBondContact O-OG1 2.94Å; I1789-T1791 PolarHBondContact O-N 2.88Å; T1791-R1793 PolarHBondContact O-N 3.34Å | ||
| 1792 | P | 68.6 | Low | 72 | Confident | 127 Ų | 127 | 58.6 Ų | 58.6 | 83% | 0.825 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -66 | -8.3 | -180 | 25.5 | -33.4 | 0 | 0 | 0 | 113.1 | T1794 | P1792-T1794 PolarHBondContact O-N 3.01Š|
| 1793 | R | 74.1 | Confident | 71.9 | Confident | 100 Ų | 100 | 57.9 Ų | 57.9 | 38% | 0.377 | 30% | 0.296 | S | S | . | . | trans | -89.4 | 97.6 | 178.5 | -64.8 | 175 | 176.6 | -169.6 | -6.9 | 109.8 | F1754 D1755 H1758 T1791 L1795 V1796 S1797 | F1754-R1793 PolarHBondContact O-NH1 3.2Å; D1755-R1793 VanDerWaalsContact C-NH1 3.27Å; D1755-R1793 PolarHBondContact O-NH1 3.05Å; H1758-R1793 HydrophobicContact CB-CG 4.49Å; H1758-R1793 PolarHBondContact ND1-NH1 3.22Å; T1791-R1793 PolarHBondContact O-N 3.34Å; R1793-L1795 PolarHBondContact O-N 3.33Å; R1793-V1796 HydrophobicContact CB-CB 4.35Å; R1793-V1796 HydrophobicContact CB-CG2 4.29Å; R1793-V1796 PolarHBondContact O-N 2.93Å; R1793-V1796 VanDerWaalsContact O-N 3.16Å; R1793-S1797 PolarHBondContact O-N 3.27Å; R1793-S1797 VanDerWaalsContact O-N 3.1Å | ||
| 1794 | T | 75.1 | Confident | 72 | Confident | 119 Ų | 119 | 58.3 Ų | 58.3 | 73% | 0.73 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -56.4 | -40.2 | -172.1 | 45.3 | 0 | 0 | 0 | 0 | 115 | P1792 R1798 | P1792-T1794 PolarHBondContact O-N 3.01Å; T1794-R1798 WeakPolarHBondContact O-CB 3.17Å; T1794-R1798 PolarHBondContact O-N 3.15Å |
| 1795 | L | 77.3 | Confident | 71.9 | Confident | 68 Ų | 68 | 61.6 Ų | 61.6 | 36% | 0.356 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 178 | -74.6 | 170.7 | 0 | 0 | 0 | 111.9 | Y1763 R1793 S1799 | Y1763-L1795 HydrophobicContact CD2-CB 4.09Å; Y1763-L1795 HydrophobicContact CE1-CD2 4.36Å; Y1763-L1795 HydrophobicContact CE2-CB 4.15Å; Y1763-L1795 HydrophobicContact CE2-CD2 4.49Å; Y1763-L1795 WeakPolarHBondContact CE2-O 3.42Å; R1793-L1795 PolarHBondContact O-N 3.33Å; L1795-S1799 PolarHBondContact O-N 3.44Å; L1795-S1799 PolarHBondContact O-OG 3.38Å |
| 1796 | V | 74.4 | Confident | 71.3 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.4 | -51.3 | -178.9 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | F1754 R1793 R1798 S1799 V1800 | F1754-V1796 HydrophobicContact CD1-CG1 3.8Å; F1754-V1796 HydrophobicContact CE1-CG1 4.36Å; R1793-V1796 HydrophobicContact CB-CB 4.35Å; R1793-V1796 HydrophobicContact CB-CG2 4.29Å; R1793-V1796 PolarHBondContact O-N 2.93Å; R1793-V1796 VanDerWaalsContact O-N 3.16Å; V1796-R1798 VanDerWaalsContact C-N 3.29Å; V1796-R1798 PolarHBondContact O-N 3.25Å; V1796-S1799 PolarHBondContact O-N 3.32Å; V1796-S1799 VanDerWaalsContact O-N 3.16Å; V1796-S1799 PolarHBondContact O-OG 3.28Å; V1796-V1800 HydrophobicContact CG1-CG2 4.34Å; V1796-V1800 WeakPolarHBondContact O-CG2 3.44Å; V1796-V1800 PolarHBondContact O-N 2.65Å |
| 1797 | S | 73.3 | Confident | 70.9 | Confident | 20 Ų | 20 | 65 Ų | 65 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.4 | -44.9 | 178.1 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | I1789 R1793 S1799 V1800 I1801 | I1789-S1797 PolarHBondContact O-OG 3.17Å; R1793-S1797 PolarHBondContact O-N 3.27Å; R1793-S1797 VanDerWaalsContact O-N 3.1Å; S1797-S1799 PolarHBondContact O-N 3.19Å; S1797-V1800 PolarHBondContact O-N 3.45Å; S1797-I1801 VanDerWaalsContact O-CG1 3.31Å; S1797-I1801 WeakPolarHBondContact O-CG1 3.46Å; S1797-I1801 PolarHBondContact O-N 3.29Å |
| 1798 | R | 78 | Confident | 70.3 | Confident | 181 Ų | 181 | 67.5 Ų | 67.5 | 68% | 0.683 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.4 | -45 | 178.9 | -167.7 | 177 | -177.6 | 164.8 | 1.4 | 112.6 | T1794 V1796 Q1802 | T1794-R1798 WeakPolarHBondContact O-CB 3.17Å; T1794-R1798 PolarHBondContact O-N 3.15Å; V1796-R1798 VanDerWaalsContact C-N 3.29Å; V1796-R1798 PolarHBondContact O-N 3.25Å; R1798-Q1802 WeakPolarHBondContact O-CB 3.37Å; R1798-Q1802 PolarHBondContact O-N 3.13Å; R1798-Q1802 VanDerWaalsContact O-N 3.08Å |
| 1799 | S | 74.5 | Confident | 69.6 | Low | 17 Ų | 17 | 74 Ų | 74 | 12% | 0.119 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -68.1 | -33.5 | 177.1 | 39.7 | 0 | 0 | 0 | 0 | 113.4 | L1795 V1796 S1797 L1803 | L1795-S1799 PolarHBondContact O-N 3.44Å; L1795-S1799 PolarHBondContact O-OG 3.38Å; V1796-S1799 PolarHBondContact O-N 3.32Å; V1796-S1799 VanDerWaalsContact O-N 3.16Å; V1796-S1799 PolarHBondContact O-OG 3.28Å; S1797-S1799 PolarHBondContact O-N 3.19Å; S1799-L1803 PolarHBondContact O-N 3.11Å |
| 1800 | V | 73.7 | Confident | 68.6 | Low | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.4 | -46.2 | 175.7 | 171 | 0 | 0 | 0 | 0 | 111.4 | W1753 F1754 L1785 V1796 S1797 Q1802 L1803 L1804 | W1753-V1800 HydrophobicContact CH2-CG2 3.96Å; W1753-V1800 HydrophobicContact CZ2-CG2 3.84Å; F1754-V1800 HydrophobicContact CE1-CG2 3.93Å; L1785-V1800 HydrophobicContact CB-CG1 4.15Å; L1785-V1800 HydrophobicContact CD2-CG1 4.24Å; L1785-V1800 HydrophobicContact CD2-CG2 4.25Å; L1785-V1800 WeakPolarHBondContact O-CG1 3.17Å; V1796-V1800 HydrophobicContact CG1-CG2 4.34Å; V1796-V1800 WeakPolarHBondContact O-CG2 3.44Å; V1796-V1800 PolarHBondContact O-N 2.65Å; S1797-V1800 PolarHBondContact O-N 3.45Å; V1800-Q1802 VanDerWaalsContact C-N 3.31Å; V1800-Q1802 PolarHBondContact O-N 2.91Å; V1800-L1803 PolarHBondContact O-N 2.83Å; V1800-L1804 HydrophobicContact CG1-CD1 3.9Å; V1800-L1804 PolarHBondContact O-N 3.41Å |
| 1801 | I | 74.6 | Confident | 67.7 | Low | 71 Ų | 71 | 76.8 Ų | 76.8 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 177.3 | -69 | 167.1 | 0 | 0 | 0 | 110.3 | I1789 S1797 L1803 L1804 C1805 | I1789-I1801 HydrophobicContact CD1-CG1 4.23Å; I1789-I1801 HydrophobicContact CG1-CD1 4.38Å; I1789-I1801 HydrophobicContact CG1-CG1 3.65Å; S1797-I1801 VanDerWaalsContact O-CG1 3.31Å; S1797-I1801 WeakPolarHBondContact O-CG1 3.46Å; S1797-I1801 PolarHBondContact O-N 3.29Å; I1801-L1803 VanDerWaalsContact C-N 3.34Å; I1801-L1803 PolarHBondContact O-N 2.99Å; I1801-L1804 PolarHBondContact O-N 3.01Å; I1801-C1805 WeakPolarHBondContact O-CB 3.5Å; I1801-C1805 PolarHBondContact O-N 2.92Å; I1801-C1805 PolarHBondContact O-SG 3.21Å; I1801-C1805 VanDerWaalsContact O-SG 3.35Å |
| 1802 | Q | 74.7 | Confident | 67.3 | Low | 124 Ų | 124 | 80.1 Ų | 80.1 | 58% | 0.579 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -56.1 | -48.8 | 176.3 | -168.3 | 103.1 | 21.7 | 0 | 0 | 111.2 | R1798 V1800 L1804 C1805 D1806 | R1798-Q1802 WeakPolarHBondContact O-CB 3.37Å; R1798-Q1802 PolarHBondContact O-N 3.13Å; R1798-Q1802 VanDerWaalsContact O-N 3.08Å; V1800-Q1802 VanDerWaalsContact C-N 3.31Å; V1800-Q1802 PolarHBondContact O-N 2.91Å; Q1802-L1804 PolarHBondContact O-N 3.49Å; Q1802-C1805 PolarHBondContact O-N 3.24Å; Q1802-D1806 PolarHBondContact O-N 3.48Å |
| 1803 | L | 70.4 | Confident | 66.8 | Low | 18 Ų | 18 | 81.1 Ų | 81.1 | 9% | 0.094 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 179.3 | -170.7 | 71.3 | 0 | 0 | 0 | 112.3 | W1753 W1778 L1785 S1799 V1800 I1801 D1806 I1807 | W1753-L1803 HydrophobicContact CH2-CD2 4.23Å; W1753-L1803 HydrophobicContact CZ3-CD2 4.44Å; W1778-L1803 HydrophobicContact CD2-CD2 3.95Å; W1778-L1803 HydrophobicContact CE3-CD2 3.97Å; W1778-L1803 HydrophobicContact CG-CD1 4.47Å; W1778-L1803 HydrophobicContact CG-CD2 4.22Å; L1785-L1803 HydrophobicContact CD1-CD2 3.66Å; L1785-L1803 HydrophobicContact CD2-CD2 4.23Å; S1799-L1803 PolarHBondContact O-N 3.11Å; V1800-L1803 PolarHBondContact O-N 2.83Å; I1801-L1803 VanDerWaalsContact C-N 3.34Å; I1801-L1803 PolarHBondContact O-N 2.99Å; L1803-D1806 PolarHBondContact O-N 2.96Å; L1803-I1807 WeakPolarHBondContact O-CD1 3.46Å; L1803-I1807 VanDerWaalsContact O-CG1 3.32Å; L1803-I1807 WeakPolarHBondContact O-CG1 3.36Å |
| 1804 | L | 67.3 | Low | 66.3 | Low | 24 Ų | 24 | 77.6 Ų | 77.6 | 13% | 0.126 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -71.4 | -37.9 | 178.2 | -74.6 | 169.2 | 0 | 0 | 0 | 112.9 | I1782 L1785 I1786 I1789 V1800 I1801 Q1802 D1806 I1807 G1808 | I1782-L1804 HydrophobicContact CG2-CD2 4.36Å; L1785-L1804 HydrophobicContact CB-CD1 4.31Å; L1785-L1804 HydrophobicContact CB-CD2 4.17Å; L1785-L1804 HydrophobicContact CB-CG 4.33Å; I1786-L1804 HydrophobicContact CG1-CD1 4.06Å; I1786-L1804 HydrophobicContact CG1-CD2 3.92Å; I1789-L1804 HydrophobicContact CD1-CD1 3.78Å; I1789-L1804 HydrophobicContact CG1-CD1 4.23Å; V1800-L1804 HydrophobicContact CG1-CD1 3.9Å; V1800-L1804 PolarHBondContact O-N 3.41Å; I1801-L1804 PolarHBondContact O-N 3.01Å; Q1802-L1804 PolarHBondContact O-N 3.49Å; L1804-D1806 PolarHBondContact O-N 2.89Å; L1804-I1807 WeakPolarHBondContact O-CB 3.39Å; L1804-I1807 PolarHBondContact O-N 3.22Å; L1804-G1808 PolarHBondContact O-N 3.47Å |
| 1805 | C | 68.2 | Low | 65.9 | Low | 75 Ų | 75 | 74 Ų | 74 | 51% | 0.507 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.7 | -29.7 | 175.5 | -77.6 | 0 | 0 | 0 | 0 | 112.5 | I1801 Q1802 I1807 | I1801-C1805 WeakPolarHBondContact O-CB 3.5Å; I1801-C1805 PolarHBondContact O-N 2.92Å; I1801-C1805 PolarHBondContact O-SG 3.21Å; I1801-C1805 VanDerWaalsContact O-SG 3.35Å; Q1802-C1805 PolarHBondContact O-N 3.24Å; C1805-I1807 VanDerWaalsContact C-N 3.27Å |
| 1806 | D | 61.4 | Low | 65.8 | Low | 101 Ų | 101 | 77.3 Ų | 77.3 | 54% | 0.54 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -72.7 | -21.5 | 173.7 | -68.5 | -23.1 | 0 | 0 | 0 | 112.2 | Q1802 L1803 L1804 | Q1802-D1806 PolarHBondContact O-N 3.48Å; L1803-D1806 PolarHBondContact O-N 2.96Å; L1804-D1806 PolarHBondContact O-N 2.89Å |
| 1807 | I | 59.4 | Low | 66 | Low | 58 Ų | 58 | 77.9 Ų | 77.9 | 30% | 0.297 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -90.8 | -36.1 | -179 | -64.8 | 166 | 0 | 0 | 0 | 112.7 | I1782 L1803 L1804 C1805 K1809 | I1782-I1807 HydrophobicContact CD1-CD1 4.21Å; I1782-I1807 HydrophobicContact CD1-CG2 3.71Å; I1782-I1807 HydrophobicContact CG1-CD1 4.09Å; L1803-I1807 WeakPolarHBondContact O-CD1 3.46Å; L1803-I1807 VanDerWaalsContact O-CG1 3.32Å; L1803-I1807 WeakPolarHBondContact O-CG1 3.36Å; L1804-I1807 WeakPolarHBondContact O-CB 3.39Å; L1804-I1807 PolarHBondContact O-N 3.22Å; C1805-I1807 VanDerWaalsContact C-N 3.27Å; I1807-K1809 PolarHBondContact O-N 3.37Å |
| 1808 | G | 53.9 | Low | 66.3 | Low | 65 Ų | 65 | 77.4 Ų | 77.4 | 67% | 0.67 | 40% | 0.401 | S | S | * | . | trans | -87.9 | 14.1 | -162 | 0 | 0 | 0 | 0 | 0 | 119.1 | L1804 E1810 | L1804-G1808 PolarHBondContact O-N 3.47Å; G1808-E1810 PolarHBondContact O-N 3.27Å | ||
| 1809 | K | 54 | Low | 66.5 | Low | 177 Ų | 177 | 70.8 Ų | 70.8 | 77% | 0.77 | 38% | 0.38 | S | S | * | . | trans | -81 | -5.9 | -167.3 | -83.6 | 178.3 | 179.6 | 167.3 | 0 | 117.5 | I1807 | I1807-K1809 PolarHBondContact O-N 3.37Š| ||
| 1810 | E | 49.9 | Very low | 66.9 | Low | 133 Ų | 133 | 74 Ų | 74 | 62% | 0.621 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -106.4 | 69 | -166.3 | -65.4 | -150.3 | 162.1 | 0 | 0 | 116.7 | G1808 | G1808-E1810 PolarHBondContact O-N 3.27Š|
| 1811 | H | 49.9 | Very low | 67.4 | Low | 104 Ų | 104 | 74.1 Ų | 74.1 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | trans | 92.3 | 88.7 | 161.6 | -49.4 | -79.1 | 0 | 0 | 0 | 119.5 | Q1813 | H1811-Q1813 VanDerWaalsContact C-N 3.3Å; H1811-Q1813 PolarHBondContact O-N 2.97Å | ||
| 1812 | P | 60.6 | Low | 67.8 | Low | 100 Ų | 100 | 70.7 Ų | 70.7 | 65% | 0.649 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -7.1 | 175.6 | 28.6 | -34.3 | 0 | 0 | 0 | 115.8 | V1814 S1815 | P1812-V1814 PolarHBondContact O-N 3.28Å; P1812-S1815 PolarHBondContact O-OG 3.28Å |
| 1813 | Q | 58.5 | Low | 68.3 | Low | 147 Ų | 147 | 66 Ų | 66 | 69% | 0.687 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -74.3 | -27.7 | -170.4 | -63.2 | -178.8 | -10.5 | 0 | 0 | 113.9 | H1811 | H1811-Q1813 VanDerWaalsContact C-N 3.3Å; H1811-Q1813 PolarHBondContact O-N 2.97Å |
| 1814 | V | 62.4 | Low | 69.2 | Low | 26 Ų | 26 | 65.6 Ų | 65.6 | 16% | 0.158 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -73.7 | -35.4 | -177.8 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | P1812 L1818 L1938 L1940 | P1812-V1814 PolarHBondContact O-N 3.28Å; V1814-L1818 HydrophobicContact CG1-CD1 4.04Å; V1814-L1818 WeakPolarHBondContact O-CG 3.48Å; V1814-L1818 PolarHBondContact O-N 2.96Å; V1814-L1938 HydrophobicContact CG2-CD2 3.95Å; V1814-L1940 HydrophobicContact CB-CD2 4.03Å; V1814-L1940 HydrophobicContact CG1-CD2 4.04Å; V1814-L1940 HydrophobicContact CG2-CD2 3.91Å |
| 1815 | S | 67.1 | Low | 70.2 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 32% | 0.315 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.4 | -42.9 | 179.9 | 60.9 | 0 | 0 | 0 | 0 | 112 | P1812 E1817 L1818 V1819 | P1812-S1815 PolarHBondContact O-OG 3.28Å; S1815-E1817 PolarHBondContact O-N 3.26Å; S1815-L1818 PolarHBondContact O-N 3.05Å; S1815-V1819 VanDerWaalsContact O-CG2 3.25Å; S1815-V1819 WeakPolarHBondContact O-CG2 3.46Å; S1815-V1819 PolarHBondContact O-N 3.25Å |
| 1816 | E | 74.9 | Confident | 71.1 | Confident | 136 Ų | 136 | 62.6 Ų | 62.6 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.6 | -43.3 | -178.7 | -74.2 | -171.7 | 160.1 | 0 | 0 | 113 | V1819 R1820 | E1816-V1819 PolarHBondContact O-N 3.14Å; E1816-R1820 PolarHBondContact O-N 3.12Å; E1816-R1820 VanDerWaalsContact O-N 3.15Å |
| 1817 | E | 79.6 | Confident | 72.3 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -73.7 | -32.8 | -178.3 | -65.3 | -64.9 | 156.3 | 0 | 0 | 111.8 | S1815 R1820 V1821 K1931 L1932 | S1815-E1817 PolarHBondContact O-N 3.26Å; E1817-R1820 WeakPolarHBondContact O-CB 3.5Å; E1817-R1820 PolarHBondContact O-N 3.22Å; E1817-R1820 IonicContact OE2-NE 3.37Å; E1817-V1821 WeakPolarHBondContact O-CG2 3.41Å; E1817-V1821 PolarHBondContact O-N 2.89Å; E1817-V1821 VanDerWaalsContact O-N 3.15Å; E1817-K1931 HydrophobicContact CG-CB 4.19Å; E1817-K1931 HydrophobicContact CG-CD 4.46Å; E1817-K1931 WeakPolarHBondContact OE1-CD 3.26Å; E1817-K1931 WeakPolarHBondContact OE1-CE 3.36Å; E1817-K1931 IonicContact OE1-NZ 3.4Å; E1817-K1931 PolarHBondContact OE1-NZ 3.37Å; E1817-L1932 HydrophobicContact CB-CD1 3.69Å |
| 1818 | L | 80.2 | Confident | 73.6 | Confident | 11 Ų | 11 | 58 Ų | 58 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 171.4 | -73.5 | 169.6 | 0 | 0 | 0 | 112.2 | V1814 S1815 R1820 V1821 A1822 L1932 L2032 L2038 | V1814-L1818 HydrophobicContact CG1-CD1 4.04Å; V1814-L1818 WeakPolarHBondContact O-CG 3.48Å; V1814-L1818 PolarHBondContact O-N 2.96Å; S1815-L1818 PolarHBondContact O-N 3.05Å; L1818-R1820 VanDerWaalsContact C-N 3.3Å; L1818-R1820 PolarHBondContact O-N 2.92Å; L1818-V1821 PolarHBondContact O-N 3.19Å; L1818-A1822 PolarHBondContact O-N 2.89Å; L1818-L1932 HydrophobicContact CD2-CD1 4.01Å; L1818-L1932 HydrophobicContact CD2-CD2 4.48Å; L1818-L1932 HydrophobicContact CG-CD1 3.94Å; L1818-L2032 HydrophobicContact CB-CD1 3.6Å; L1818-L2032 HydrophobicContact CD1-CD1 4.28Å; L1818-L2032 HydrophobicContact CD1-CD2 4.21Å; L1818-L2038 HydrophobicContact CD1-CD1 3.81Å |
| 1819 | V | 81.9 | Confident | 75.3 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 25% | 0.248 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -40 | 174.4 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | S1815 E1816 V1821 A1822 I1823 L2032 | S1815-V1819 VanDerWaalsContact O-CG2 3.25Å; S1815-V1819 WeakPolarHBondContact O-CG2 3.46Å; S1815-V1819 PolarHBondContact O-N 3.25Å; E1816-V1819 PolarHBondContact O-N 3.14Å; V1819-V1821 VanDerWaalsContact C-N 3.34Å; V1819-V1821 PolarHBondContact O-N 3.35Å; V1819-A1822 WeakPolarHBondContact O-CB 3.42Å; V1819-A1822 PolarHBondContact O-N 2.85Å; V1819-A1822 VanDerWaalsContact O-N 3.17Å; V1819-I1823 PolarHBondContact O-N 3.37Å; V1819-L2032 HydrophobicContact CG2-CB 3.77Å |
| 1820 | R | 83.4 | Confident | 76.9 | Confident | 84 Ų | 84 | 48.3 Ų | 48.3 | 32% | 0.317 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63 | -38.2 | 176.7 | -171.5 | -175.2 | -62.5 | -85.2 | -4.5 | 112.6 | E1816 E1817 L1818 A1822 E1869 | E1816-R1820 PolarHBondContact O-N 3.12Å; E1816-R1820 VanDerWaalsContact O-N 3.15Å; E1817-R1820 WeakPolarHBondContact O-CB 3.5Å; E1817-R1820 PolarHBondContact O-N 3.22Å; E1817-R1820 IonicContact OE2-NE 3.37Å; L1818-R1820 VanDerWaalsContact C-N 3.3Å; L1818-R1820 PolarHBondContact O-N 2.92Å; R1820-A1822 VanDerWaalsContact C-N 3.34Å; R1820-E1869 WeakPolarHBondContact CD-OE1 3.38Å; R1820-E1869 IonicContact CZ-OE1 3.78Å; R1820-E1869 IonicContact NH1-OE1 2.71Å; R1820-E1869 PolarHBondContact NH1-OE1 3.41Å; R1820-E1869 IonicContact NH1-OE2 3.12Å; R1820-E1869 PolarHBondContact NH1-OE2 3.45Å |
| 1821 | V | 84.4 | Confident | 78.6 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.5 | -32.7 | 174.9 | 177 | 0 | 0 | 0 | 0 | 111.5 | E1817 L1818 V1819 I1823 V1928 A1929 L1962 L1988 | E1817-V1821 WeakPolarHBondContact O-CG2 3.41Å; E1817-V1821 PolarHBondContact O-N 2.89Å; E1817-V1821 VanDerWaalsContact O-N 3.15Å; L1818-V1821 PolarHBondContact O-N 3.19Å; V1819-V1821 VanDerWaalsContact C-N 3.34Å; V1819-V1821 PolarHBondContact O-N 3.35Å; V1821-I1823 VanDerWaalsContact C-N 3.34Å; V1821-I1823 PolarHBondContact O-N 3.31Å; V1821-V1928 HydrophobicContact CG2-CG1 4.11Å; V1821-A1929 HydrophobicContact CG2-CB 3.48Å; V1821-A1929 VanDerWaalsContact CG2-CB 3.48Å; V1821-L1962 HydrophobicContact CG1-CD1 3.45Å; V1821-L1962 VanDerWaalsContact CG1-CD1 3.45Å; V1821-L1988 HydrophobicContact CB-CD2 3.97Å; V1821-L1988 HydrophobicContact CG1-CD2 3.78Å |
| 1822 | A | 81.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -36.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1818 V1819 R1820 R1972 L1988 | L1818-A1822 PolarHBondContact O-N 2.89Å; V1819-A1822 WeakPolarHBondContact O-CB 3.42Å; V1819-A1822 PolarHBondContact O-N 2.85Å; V1819-A1822 VanDerWaalsContact O-N 3.17Å; R1820-A1822 VanDerWaalsContact C-N 3.34Å; A1822-R1972 PolarHBondContact O-NH1 3.02Å; A1822-L1988 HydrophobicContact CB-CD1 3.91Å; A1822-L1988 HydrophobicContact CB-CD2 3.81Å; A1822-L1988 HydrophobicContact CB-CG 3.67Å |
| 1823 | I | 86.5 | Confident | 81.7 | Confident | 25 Ų | 25 | 37.2 Ų | 37.2 | 13% | 0.128 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -134.2 | 107.5 | -171.8 | -60.4 | 175 | 0 | 0 | 0 | 109.9 | V1819 V1821 L1828 H1991 | V1819-I1823 PolarHBondContact O-N 3.37Å; V1821-I1823 VanDerWaalsContact C-N 3.34Å; V1821-I1823 PolarHBondContact O-N 3.31Å; I1823-L1828 HydrophobicContact CG2-CD1 3.68Å; I1823-L1828 HydrophobicContact CG2-CD2 3.76Å; I1823-L1828 HydrophobicContact CG2-CG 3.36Å; I1823-H1991 VanDerWaalsContact CG2-CE1 3.47Å; I1823-H1991 WeakPolarHBondContact CG2-CE1 3.44Å; I1823-H1991 VanDerWaalsContact CG2-NE2 3.27Å; I1823-H1991 WeakPolarHBondContact CG2-NE2 3.41Å |
| 1824 | L | 87.9 | Confident | 83.1 | Confident | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | trans | -81.4 | 153.1 | 179.3 | -62.3 | 174.9 | 0 | 0 | 0 | 111.5 | H1826 E1827 L1828 L1923 V1928 | L1824-H1826 PolarHBondContact O-N 2.96Å; L1824-E1827 HydrophobicContact CB-CG 4.36Å; L1824-E1827 PolarHBondContact N-OE2 3.37Å; L1824-E1827 WeakPolarHBondContact O-CB 3.34Å; L1824-E1827 PolarHBondContact O-N 3.49Å; L1824-L1828 PolarHBondContact O-N 2.94Å; L1824-L1923 HydrophobicContact CD1-CD1 4.12Å; L1824-L1923 HydrophobicContact CD1-CD2 4.03Å; L1824-V1928 HydrophobicContact CD2-CG1 3.86Å | ||
| 1825 | W | 88.3 | Confident | 84.2 | Confident | 25 Ų | 25 | 37.2 Ų | 37.2 | 10% | 0.095 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56 | -36 | 173.8 | -76.3 | 13.1 | 0 | 0 | 0 | 113.3 | E1827 L1828 W1829 M1859 I1860 P1864 E1869 F1872 | W1825-E1827 PolarHBondContact O-N 3.42Å; W1825-L1828 PolarHBondContact O-N 2.89Å; W1825-W1829 WeakPolarHBondContact O-CB 3.14Å; W1825-W1829 VanDerWaalsContact O-CD1 3.25Å; W1825-W1829 PolarHBondContact O-N 3.31Å; W1825-M1859 HydrophobicContact CB-CE 4.47Å; W1825-M1859 HydrophobicContact CD2-CE 4.05Å; W1825-M1859 HydrophobicContact CG-CE 3.82Å; W1825-M1859 HydrophobicContact CZ2-CG 4.35Å; W1825-I1860 HydrophobicContact CZ3-CG1 4.45Å; W1825-P1864 HydrophobicContact CH2-CB 4.33Å; W1825-E1869 HydrophobicContact CD2-CB 4.21Å; W1825-E1869 HydrophobicContact CD2-CG 3.85Å; W1825-E1869 HydrophobicContact CE3-CB 4.12Å; W1825-E1869 HydrophobicContact CE3-CG 4.28Å; W1825-E1869 HydrophobicContact CG-CG 4.2Å; W1825-E1869 HydrophobicContact CH2-CB 4.25Å; W1825-E1869 HydrophobicContact CZ2-CB 4.3Å; W1825-E1869 HydrophobicContact CZ2-CG 4.13Å; W1825-E1869 HydrophobicContact CZ3-CB 4.15Å; W1825-F1872 HydrophobicContact CB-CD1 4.26Å; W1825-F1872 HydrophobicContact CB-CD2 4.32Å; W1825-F1872 HydrophobicContact CB-CG 4.14Å; W1825-F1872 HydrophobicContact CE3-CB 4.32Å; W1825-F1872 AromaticContact CE3-CD1 3.64Å; W1825-F1872 HydrophobicContact CE3-CD1 3.64Å; W1825-F1872 HydrophobicContact CE3-CE1 4.34Å; W1825-F1872 HydrophobicContact CE3-CG 4.21Å; W1825-F1872 HydrophobicContact CZ3-CD1 4.41Å |
| 1826 | H | 87.6 | Confident | 85.1 | Confident | 10 Ų | 10 | 35.1 Ų | 35.1 | 5% | 0.046 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.1 | -35.2 | 176 | -59.9 | 73.5 | 0 | 0 | 0 | 111.6 | L1824 H1830 F1872 I1913 L1917 | L1824-H1826 PolarHBondContact O-N 2.96Å; H1826-H1830 WeakPolarHBondContact O-CB 3.41Å; H1826-H1830 PolarHBondContact O-N 3.34Å; H1826-H1830 VanDerWaalsContact O-N 3.15Å; H1826-F1872 HydrophobicContact CB-CD2 4.41Å; H1826-F1872 HydrophobicContact CB-CE2 4.41Å; H1826-F1872 AromaticContact CD2-CD2 3.61Å; H1826-F1872 AromaticContact CE1-CD2 3.57Å; H1826-F1872 AromaticContact CG-CD2 3.61Å; H1826-F1872 AromaticContact ND1-CD2 3.6Å; H1826-F1872 AromaticContact NE2-CD2 3.6Å; H1826-I1913 HydrophobicContact CB-CG2 4.33Å; H1826-I1913 VanDerWaalsContact O-CG2 3.25Å; H1826-I1913 WeakPolarHBondContact O-CG2 3.38Å; H1826-L1917 HydrophobicContact CB-CD2 4.35Å |
| 1827 | E | 86 | Confident | 85.8 | Confident | 18 Ų | 18 | 30.4 Ų | 30.4 | 8% | 0.084 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -80.1 | -45.2 | -178.3 | -64.8 | 174.5 | 144.3 | 0 | 0 | 111.2 | L1824 W1825 W1829 H1830 E1831 L1917 R1972 | L1824-E1827 HydrophobicContact CB-CG 4.36Å; L1824-E1827 PolarHBondContact N-OE2 3.37Å; L1824-E1827 WeakPolarHBondContact O-CB 3.34Å; L1824-E1827 PolarHBondContact O-N 3.49Å; W1825-E1827 PolarHBondContact O-N 3.42Å; E1827-W1829 VanDerWaalsContact C-N 3.28Å; E1827-W1829 PolarHBondContact O-N 3.03Å; E1827-H1830 PolarHBondContact O-N 2.67Å; E1827-H1830 VanDerWaalsContact O-N 3.09Å; E1827-E1831 PolarHBondContact O-N 3.09Å; E1827-L1917 HydrophobicContact CG-CD2 3.75Å; E1827-R1972 IonicContact OE1-CZ 3.96Å; E1827-R1972 IonicContact OE1-NH1 3.47Å; E1827-R1972 PolarHBondContact OE1-NH1 3.5Å; E1827-R1972 IonicContact OE1-NH2 3.44Å; E1827-R1972 PolarHBondContact OE1-NH2 3.43Å; E1827-R1972 IonicContact OE2-CZ 3.82Å; E1827-R1972 VanDerWaalsContact OE2-CZ 3.24Å; E1827-R1972 IonicContact OE2-NH1 3.51Å; E1827-R1972 PolarHBondContact OE2-NH1 2.89Å; E1827-R1972 IonicContact OE2-NH2 3.59Å; E1827-R1972 PolarHBondContact OE2-NH2 2.93Å |
| 1828 | L | 86.8 | Confident | 86.1 | Confident | 45 Ų | 45 | 34.9 Ų | 34.9 | 24% | 0.236 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.9 | -44 | 174 | -79.8 | 163.3 | 0 | 0 | 0 | 112.3 | I1823 L1824 W1825 G1832 L1856 M1859 | I1823-L1828 HydrophobicContact CG2-CD1 3.68Å; I1823-L1828 HydrophobicContact CG2-CD2 3.76Å; I1823-L1828 HydrophobicContact CG2-CG 3.36Å; L1824-L1828 PolarHBondContact O-N 2.94Å; W1825-L1828 PolarHBondContact O-N 2.89Å; L1828-G1832 PolarHBondContact O-N 3.47Å; L1828-L1856 HydrophobicContact CB-CD2 4.04Å; L1828-L1856 HydrophobicContact CD2-CD2 4.46Å; L1828-M1859 HydrophobicContact CD1-CE 4.02Å; L1828-M1859 HydrophobicContact CD1-SD 3.76Å |
| 1829 | W | 89.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.5 | -37.2 | 177.1 | -83.8 | 96.3 | 0 | 0 | 0 | 112.5 | W1825 E1827 L1833 L1856 H1857 I1860 F1872 L1880 Y1906 I1913 | W1825-W1829 WeakPolarHBondContact O-CB 3.14Å; W1825-W1829 VanDerWaalsContact O-CD1 3.25Å; W1825-W1829 PolarHBondContact O-N 3.31Å; E1827-W1829 VanDerWaalsContact C-N 3.28Å; E1827-W1829 PolarHBondContact O-N 3.03Å; W1829-L1833 HydrophobicContact CE3-CD1 4.19Å; W1829-L1833 HydrophobicContact CE3-CD2 4.33Å; W1829-L1833 HydrophobicContact CE3-CG 4.11Å; W1829-L1833 HydrophobicContact CZ3-CD2 4.42Å; W1829-L1833 WeakPolarHBondContact O-CB 3.35Å; W1829-L1833 WeakPolarHBondContact O-CD1 3.49Å; W1829-L1833 WeakPolarHBondContact O-CG 3.21Å; W1829-L1833 PolarHBondContact O-N 2.87Å; W1829-L1856 HydrophobicContact CD2-CB 4.41Å; W1829-L1856 HydrophobicContact CE3-CD1 4.43Å; W1829-L1856 HydrophobicContact CH2-CB 3.86Å; W1829-L1856 HydrophobicContact CZ2-CB 3.65Å; W1829-L1856 WeakPolarHBondContact CZ2-O 3.37Å; W1829-L1856 HydrophobicContact CZ3-CB 4.32Å; W1829-H1857 AromaticContact CH2-CE1 3.48Å; W1829-H1857 VanDerWaalsContact CH2-CE1 3.48Å; W1829-H1857 WeakPolarHBondContact CH2-CE1 3.43Å; W1829-H1857 AromaticContact CH2-CG 3.98Å; W1829-H1857 AromaticContact CH2-ND1 3.62Å; W1829-H1857 AromaticContact CH2-NE2 3.76Å; W1829-I1860 VanDerWaalsContact CE2-CD1 3.46Å; W1829-I1860 HydrophobicContact CH2-CD1 4.39Å; W1829-I1860 HydrophobicContact CZ2-CD1 3.3Å; W1829-I1860 HydrophobicContact CZ2-CG1 3.88Å; W1829-F1872 HydrophobicContact CB-CZ 4.07Å; W1829-F1872 AromaticContact CD1-CE1 3.69Å; W1829-F1872 AromaticContact CD1-CZ 3.35Å; W1829-F1872 HydrophobicContact CG-CE1 4.37Å; W1829-F1872 AromaticContact CG-CZ 3.71Å; W1829-F1872 HydrophobicContact CG-CZ 3.71Å; W1829-F1872 AromaticContact NE1-CE1 3.92Å; W1829-L1880 HydrophobicContact CD2-CD1 3.89Å; W1829-L1880 HydrophobicContact CD2-CD2 4.38Å; W1829-L1880 HydrophobicContact CE3-CD1 4.09Å; W1829-L1880 HydrophobicContact CE3-CD2 3.73Å; W1829-L1880 HydrophobicContact CH2-CD1 4.12Å; W1829-L1880 HydrophobicContact CH2-CD2 3.97Å; W1829-L1880 HydrophobicContact CH2-CG 4.45Å; W1829-L1880 HydrophobicContact CZ2-CD1 3.9Å; W1829-L1880 HydrophobicContact CZ3-CD1 4.21Å; W1829-L1880 HydrophobicContact CZ3-CD2 3.51Å; W1829-L1880 HydrophobicContact CZ3-CG 4.4Å; W1829-Y1906 HydrophobicContact CZ3-CE1 4.28Å; W1829-I1913 HydrophobicContact CB-CD1 3.99Å |
| 1830 | H | 89.1 | Confident | 86.4 | Confident | 39 Ų | 39 | 35.6 Ų | 35.6 | 18% | 0.181 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -52.5 | 176.1 | -175.3 | -80.4 | 0 | 0 | 0 | 111.5 | H1826 E1827 L1833 E1834 F1910 I1913 S1914 L1917 | H1826-H1830 WeakPolarHBondContact O-CB 3.41Å; H1826-H1830 PolarHBondContact O-N 3.34Å; H1826-H1830 VanDerWaalsContact O-N 3.15Å; E1827-H1830 PolarHBondContact O-N 2.67Å; E1827-H1830 VanDerWaalsContact O-N 3.09Å; H1830-L1833 PolarHBondContact O-N 2.9Å; H1830-E1834 IonicContact CE1-OE2 3.68Å; H1830-E1834 IonicContact ND1-OE2 3.8Å; H1830-E1834 WeakPolarHBondContact O-CB 3.42Å; H1830-E1834 PolarHBondContact O-N 2.66Å; H1830-F1910 AromaticContact CD2-CE2 3.65Å; H1830-F1910 AromaticContact CE1-CE2 3.75Å; H1830-F1910 AromaticContact CE1-CZ 3.95Å; H1830-F1910 AromaticContact CG-CE2 3.97Å; H1830-F1910 AromaticContact NE2-CE2 3.55Å; H1830-F1910 AromaticContact NE2-CZ 3.67Å; H1830-I1913 HydrophobicContact CB-CG2 3.95Å; H1830-S1914 PolarHBondContact CD2-OG 3.46Å; H1830-S1914 VanDerWaalsContact CD2-OG 3.27Å; H1830-S1914 PolarHBondContact NE2-OG 3.46Å; H1830-L1917 HydrophobicContact CB-CD1 3.99Å |
| 1831 | E | 84.5 | Confident | 86.4 | Confident | 85 Ų | 85 | 37.9 Ų | 37.9 | 40% | 0.397 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68 | -43.3 | -177.9 | -168.1 | -178.8 | -147.5 | 0 | 0 | 111.7 | E1827 L1833 E1834 E1835 H1991 | E1827-E1831 PolarHBondContact O-N 3.09Å; E1831-L1833 VanDerWaalsContact C-N 3.34Å; E1831-L1833 PolarHBondContact O-N 3.4Å; E1831-E1834 PolarHBondContact O-N 3.15Å; E1831-E1835 PolarHBondContact O-N 2.85Å; E1831-H1991 IonicContact OE2-CE1 3.79Å; E1831-H1991 PolarHBondContact OE2-CE1 3.22Å; E1831-H1991 IonicContact OE2-CG 3.38Å; E1831-H1991 IonicContact OE2-ND1 3.34Å; E1831-H1991 PolarHBondContact OE2-ND1 2.84Å |
| 1832 | G | 86.5 | Confident | 86.2 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 14% | 0.144 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -37.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1828 A1836 | L1828-G1832 PolarHBondContact O-N 3.47Å; G1832-A1836 WeakPolarHBondContact O-CB 3.38Å; G1832-A1836 PolarHBondContact O-N 3.28Å |
| 1833 | L | 89.8 | Confident | 86.2 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71 | -37.4 | 174.2 | -71.2 | 172.7 | 0 | 0 | 0 | 111.9 | W1829 H1830 E1831 S1837 L1853 Y1906 F1910 | W1829-L1833 HydrophobicContact CE3-CD1 4.19Å; W1829-L1833 HydrophobicContact CE3-CD2 4.33Å; W1829-L1833 HydrophobicContact CE3-CG 4.11Å; W1829-L1833 HydrophobicContact CZ3-CD2 4.42Å; W1829-L1833 WeakPolarHBondContact O-CB 3.35Å; W1829-L1833 WeakPolarHBondContact O-CD1 3.49Å; W1829-L1833 WeakPolarHBondContact O-CG 3.21Å; W1829-L1833 PolarHBondContact O-N 2.87Å; H1830-L1833 PolarHBondContact O-N 2.9Å; E1831-L1833 VanDerWaalsContact C-N 3.34Å; E1831-L1833 PolarHBondContact O-N 3.4Å; L1833-S1837 VanDerWaalsContact O-CB 3.28Å; L1833-S1837 WeakPolarHBondContact O-CB 3.43Å; L1833-S1837 PolarHBondContact O-N 3.43Å; L1833-L1853 HydrophobicContact CD2-CD2 3.83Å; L1833-Y1906 HydrophobicContact CD2-CD1 3.43Å; L1833-Y1906 VanDerWaalsContact CD2-CD1 3.43Å; L1833-Y1906 HydrophobicContact CD2-CE1 4.15Å; L1833-Y1906 HydrophobicContact CD2-CG 3.73Å; L1833-F1910 HydrophobicContact CB-CD2 3.95Å; L1833-F1910 HydrophobicContact CD1-CB 4.09Å; L1833-F1910 HydrophobicContact CD1-CD2 4.48Å |
| 1834 | E | 88 | Confident | 86 | Confident | 102 Ų | 102 | 55.3 Ų | 55.3 | 48% | 0.477 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 175.3 | -170.8 | 171.3 | -169.8 | 0 | 0 | 110.8 | H1830 E1831 S1837 R1838 F1910 | H1830-E1834 IonicContact CE1-OE2 3.68Å; H1830-E1834 IonicContact ND1-OE2 3.8Å; H1830-E1834 WeakPolarHBondContact O-CB 3.42Å; H1830-E1834 PolarHBondContact O-N 2.66Å; E1831-E1834 PolarHBondContact O-N 3.15Å; E1834-S1837 WeakPolarHBondContact O-CB 3.49Å; E1834-S1837 PolarHBondContact O-N 3.16Å; E1834-S1837 VanDerWaalsContact O-N 3.15Å; E1834-S1837 PolarHBondContact O-OG 3.09Å; E1834-R1838 PolarHBondContact O-N 3.35Å; E1834-F1910 HydrophobicContact CB-CE2 4.17Å |
| 1835 | E | 85 | Confident | 85.8 | Confident | 72 Ų | 72 | 58 Ų | 58 | 34% | 0.336 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 178.1 | -177.1 | 55.2 | -159.5 | 0 | 0 | 112.2 | E1831 S1837 R1838 L1839 | E1831-E1835 PolarHBondContact O-N 2.85Å; E1835-S1837 PolarHBondContact O-N 3.24Å; E1835-R1838 WeakPolarHBondContact O-CB 3.36Å; E1835-R1838 PolarHBondContact O-N 3.17Å; E1835-R1838 VanDerWaalsContact O-N 3.15Å; E1835-R1838 IonicContact OE1-CZ 2.76Å; E1835-R1838 IonicContact OE1-NE 2.93Å; E1835-R1838 PolarHBondContact OE1-NE 3.36Å; E1835-R1838 IonicContact OE1-NH2 2.58Å; E1835-R1838 PolarHBondContact OE1-NH2 3.31Å; E1835-R1838 IonicContact OE2-CZ 2.75Å; E1835-R1838 IonicContact OE2-NE 2.83Å; E1835-R1838 PolarHBondContact OE2-NE 3.11Å; E1835-R1838 IonicContact OE2-NH2 3.83Å; E1835-L1839 HydrophobicContact CG-CD1 4.11Å; E1835-L1839 HydrophobicContact CG-CG 4.47Å; E1835-L1839 WeakPolarHBondContact O-CG 3.37Å; E1835-L1839 PolarHBondContact O-N 3.4Å |
| 1836 | A | 86.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.5 | -35.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G1832 Y1840 M1849 A1852 L1853 W1903 | G1832-A1836 WeakPolarHBondContact O-CB 3.38Å; G1832-A1836 PolarHBondContact O-N 3.28Å; A1836-Y1840 VanDerWaalsContact O-CB 3.27Å; A1836-Y1840 WeakPolarHBondContact O-CB 3.44Å; A1836-Y1840 PolarHBondContact O-N 3.01Å; A1836-M1849 HydrophobicContact CB-CG 3.91Å; A1836-A1852 HydrophobicContact CB-CB 4.39Å; A1836-L1853 HydrophobicContact CB-CD1 3.94Å; A1836-L1853 HydrophobicContact CB-CD2 3.66Å; A1836-L1853 HydrophobicContact CB-CG 3.67Å; A1836-W1903 HydrophobicContact CB-CH2 4.14Å |
| 1837 | S | 88.3 | Confident | 85.1 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 27% | 0.266 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.4 | -39.2 | 177.8 | 82.6 | 0 | 0 | 0 | 0 | 111.7 | L1833 E1834 E1835 Y1840 F1841 | L1833-S1837 VanDerWaalsContact O-CB 3.28Å; L1833-S1837 WeakPolarHBondContact O-CB 3.43Å; L1833-S1837 PolarHBondContact O-N 3.43Å; E1834-S1837 WeakPolarHBondContact O-CB 3.49Å; E1834-S1837 PolarHBondContact O-N 3.16Å; E1834-S1837 VanDerWaalsContact O-N 3.15Å; E1834-S1837 PolarHBondContact O-OG 3.09Å; E1835-S1837 PolarHBondContact O-N 3.24Å; S1837-Y1840 PolarHBondContact O-N 3.07Å; S1837-F1841 WeakPolarHBondContact O-CB 3.45Å; S1837-F1841 WeakPolarHBondContact O-CD2 3.27Å; S1837-F1841 PolarHBondContact O-N 3.48Å |
| 1838 | R | 85.9 | Confident | 84.8 | Confident | 107 Ų | 107 | 64.1 Ų | 64.1 | 40% | 0.404 | 31% | 0.313 | S | S | . | . | I | π-helix | trans | -62.3 | -50 | 175.5 | -169.5 | -171.9 | 75.2 | 81.8 | 10.7 | 110.6 | E1834 E1835 Y1840 A1842 E1843 | E1834-R1838 PolarHBondContact O-N 3.35Å; E1835-R1838 WeakPolarHBondContact O-CB 3.36Å; E1835-R1838 PolarHBondContact O-N 3.17Å; E1835-R1838 VanDerWaalsContact O-N 3.15Å; E1835-R1838 IonicContact OE1-CZ 2.76Å; E1835-R1838 IonicContact OE1-NE 2.93Å; E1835-R1838 PolarHBondContact OE1-NE 3.36Å; E1835-R1838 IonicContact OE1-NH2 2.58Å; E1835-R1838 PolarHBondContact OE1-NH2 3.31Å; E1835-R1838 IonicContact OE2-CZ 2.75Å; E1835-R1838 IonicContact OE2-NE 2.83Å; E1835-R1838 PolarHBondContact OE2-NE 3.11Å; E1835-R1838 IonicContact OE2-NH2 3.83Å; R1838-Y1840 VanDerWaalsContact C-N 3.31Å; R1838-Y1840 PolarHBondContact O-N 3.35Å; R1838-A1842 WeakPolarHBondContact O-CA 3.31Å; R1838-A1842 VanDerWaalsContact O-CB 3.28Å; R1838-A1842 WeakPolarHBondContact O-CB 3.29Å; R1838-A1842 PolarHBondContact O-N 3.33Å; R1838-E1843 IonicContact CZ-OE1 2.89Å; R1838-E1843 IonicContact NH1-OE1 2.69Å; R1838-E1843 PolarHBondContact NH1-OE1 3.42Å; R1838-E1843 IonicContact NH2-OE1 3.14Å; R1838-E1843 PolarHBondContact NH2-OE1 2.99Å; R1838-E1843 PolarHBondContact O-N 3.36Å |
| 1839 | L | 84.5 | Confident | 84.8 | Confident | 19 Ų | 19 | 62 Ų | 62 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -60.3 | -40.6 | 178.5 | -67.7 | 171.9 | 0 | 0 | 0 | 111.6 | E1835 E1843 R1844 N1845 A1852 | E1835-L1839 HydrophobicContact CG-CD1 4.11Å; E1835-L1839 HydrophobicContact CG-CG 4.47Å; E1835-L1839 WeakPolarHBondContact O-CG 3.37Å; E1835-L1839 PolarHBondContact O-N 3.4Å; L1839-E1843 VanDerWaalsContact CD2-OE2 3.3Å; L1839-E1843 WeakPolarHBondContact CD2-OE2 3.25Å; L1839-E1843 CarbonylContact O-C 3.5Å; L1839-R1844 PolarHBondContact O-N 3.1Å; L1839-R1844 VanDerWaalsContact O-N 3.07Å; L1839-N1845 PolarHBondContact O-N 2.9Å; L1839-A1852 HydrophobicContact CD1-CB 4.34Å |
| 1840 | Y | 83.5 | Confident | 84.6 | Confident | 47 Ų | 47 | 62.8 Ų | 62.8 | 18% | 0.184 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -78.8 | -51.6 | -178.9 | -179.3 | -110.7 | 0 | 0 | 0 | 113.7 | A1836 S1837 R1838 R1844 L1846 M1849 L1899 W1903 | A1836-Y1840 VanDerWaalsContact O-CB 3.27Å; A1836-Y1840 WeakPolarHBondContact O-CB 3.44Å; A1836-Y1840 PolarHBondContact O-N 3.01Å; S1837-Y1840 PolarHBondContact O-N 3.07Å; R1838-Y1840 VanDerWaalsContact C-N 3.31Å; R1838-Y1840 PolarHBondContact O-N 3.35Å; Y1840-R1844 VanDerWaalsContact O-CA 3.28Å; Y1840-R1844 WeakPolarHBondContact O-CA 3.46Å; Y1840-R1844 PolarHBondContact O-N 2.78Å; Y1840-L1846 HydrophobicContact CD2-CD2 3.86Å; Y1840-L1846 HydrophobicContact CD2-CG 4.39Å; Y1840-L1846 HydrophobicContact CE2-CD2 3.6Å; Y1840-L1846 HydrophobicContact CE2-CG 4.32Å; Y1840-M1849 HydrophobicContact CD2-SD 4.03Å; Y1840-M1849 HydrophobicContact CG-SD 4.08Å; Y1840-L1899 HydrophobicContact CD2-CD2 4.41Å; Y1840-L1899 HydrophobicContact CE2-CD2 3.48Å; Y1840-L1899 VanDerWaalsContact CE2-CD2 3.48Å; Y1840-L1899 HydrophobicContact CE2-CG 4.45Å; Y1840-W1903 AromaticContact CD1-CD1 3.82Å; Y1840-W1903 HydrophobicContact CD1-CD2 4.43Å; Y1840-W1903 AromaticContact CD1-CE2 3.57Å; Y1840-W1903 AromaticContact CD1-CZ2 3.96Å; Y1840-W1903 HydrophobicContact CD1-CZ2 3.96Å; Y1840-W1903 AromaticContact CD1-NE1 3.11Å; Y1840-W1903 AromaticContact CE1-CD1 3.53Å; Y1840-W1903 HydrophobicContact CE1-CG 4.4Å; Y1840-W1903 AromaticContact CE1-NE1 3.29Å; Y1840-W1903 VanDerWaalsContact CE1-NE1 3.29Å; Y1840-W1903 HydrophobicContact CG-CZ2 4.07Å; Y1840-W1903 AromaticContact CG-NE1 3.54Å; Y1840-W1903 AromaticContact CZ-NE1 3.88Å |
| 1841 | F | 84 | Confident | 84.4 | Confident | 133 Ų | 133 | 65.4 Ų | 65.4 | 58% | 0.583 | 32% | 0.32 | S | S | * | . | I | π-helix | trans | -83.4 | -38.7 | -172.6 | -70.7 | -75.1 | 0 | 0 | 0 | 113.4 | S1837 W1903 | S1837-F1841 WeakPolarHBondContact O-CB 3.45Å; S1837-F1841 WeakPolarHBondContact O-CD2 3.27Å; S1837-F1841 PolarHBondContact O-N 3.48Å; F1841-W1903 AromaticContact CE2-CD2 3.94Å; F1841-W1903 HydrophobicContact CE2-CD2 3.94Å; F1841-W1903 HydrophobicContact CE2-CE3 4Å; F1841-W1903 HydrophobicContact CE2-CG 4.49Å; F1841-W1903 HydrophobicContact CE2-CH2 4.44Å; F1841-W1903 HydrophobicContact CE2-CZ2 4.33Å; F1841-W1903 HydrophobicContact CE2-CZ3 4.27Å; F1841-W1903 HydrophobicContact CZ-CD2 4.22Å; F1841-W1903 HydrophobicContact CZ-CG 4.32Å |
| 1842 | A | 81.2 | Confident | 84.4 | Confident | 79 Ų | 79 | 62.7 Ų | 62.7 | 65% | 0.653 | 31% | 0.313 | S | S | * | . | I | π-helix | trans | -89.9 | -48 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1838 | R1838-A1842 WeakPolarHBondContact O-CA 3.31Å; R1838-A1842 VanDerWaalsContact O-CB 3.28Å; R1838-A1842 WeakPolarHBondContact O-CB 3.29Å; R1838-A1842 PolarHBondContact O-N 3.33Å |
| 1843 | E | 81.3 | Confident | 84.4 | Confident | 99 Ų | 99 | 62.1 Ų | 62.1 | 46% | 0.463 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -93.9 | -10.5 | -175.8 | -63.2 | -175.5 | -178.5 | 0 | 0 | 114.1 | R1838 L1839 N1845 | R1838-E1843 IonicContact CZ-OE1 2.89Å; R1838-E1843 IonicContact NH1-OE1 2.69Å; R1838-E1843 PolarHBondContact NH1-OE1 3.42Å; R1838-E1843 IonicContact NH2-OE1 3.14Å; R1838-E1843 PolarHBondContact NH2-OE1 2.99Å; R1838-E1843 PolarHBondContact O-N 3.36Å; L1839-E1843 VanDerWaalsContact CD2-OE2 3.3Å; L1839-E1843 WeakPolarHBondContact CD2-OE2 3.25Å; L1839-E1843 CarbonylContact O-C 3.5Å; E1843-N1845 HydrophobicContact CB-CB 4.33Å; E1843-N1845 PolarHBondContact O-N 3.5Å; E1843-N1845 VanDerWaalsContact O-N 3.16Å |
| 1844 | R | 81.4 | Confident | 84.2 | Confident | 215 Ų | 215 | 64.9 Ų | 64.9 | 81% | 0.811 | 32% | 0.319 | S | S | * | . | trans | 53.3 | 28 | -173.9 | -61.5 | -170 | 177.1 | -171.5 | 0.9 | 114.2 | L1839 Y1840 L1846 | L1839-R1844 PolarHBondContact O-N 3.1Å; L1839-R1844 VanDerWaalsContact O-N 3.07Å; Y1840-R1844 VanDerWaalsContact O-CA 3.28Å; Y1840-R1844 WeakPolarHBondContact O-CA 3.46Å; Y1840-R1844 PolarHBondContact O-N 2.78Å; R1844-L1846 PolarHBondContact O-N 3.47Å | ||
| 1845 | N | 83.5 | Confident | 84.2 | Confident | 68 Ų | 68 | 63.7 Ų | 63.7 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | trans | -91.3 | 87.2 | 180 | -170.4 | -8.4 | 0 | 0 | 0 | 111.2 | L1839 E1843 Q1847 G1848 M1849 | L1839-N1845 PolarHBondContact O-N 2.9Å; E1843-N1845 HydrophobicContact CB-CB 4.33Å; E1843-N1845 PolarHBondContact O-N 3.5Å; E1843-N1845 VanDerWaalsContact O-N 3.16Å; N1845-Q1847 PolarHBondContact O-N 3.25Å; N1845-Q1847 PolarHBondContact OD1-N 3.08Å; N1845-G1848 PolarHBondContact O-N 3.29Å; N1845-G1848 PolarHBondContact OD1-N 3.47Å; N1845-M1849 PolarHBondContact O-N 3.17Å | ||
| 1846 | L | 79.1 | Confident | 84.3 | Confident | 59 Ų | 59 | 61 Ų | 61 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 178.6 | -81.4 | 157.5 | 0 | 0 | 0 | 113.1 | Y1840 R1844 M1849 F1850 Y1890 L1899 | Y1840-L1846 HydrophobicContact CD2-CD2 3.86Å; Y1840-L1846 HydrophobicContact CD2-CG 4.39Å; Y1840-L1846 HydrophobicContact CE2-CD2 3.6Å; Y1840-L1846 HydrophobicContact CE2-CG 4.32Å; R1844-L1846 PolarHBondContact O-N 3.47Å; L1846-M1849 WeakPolarHBondContact O-CB 3.45Å; L1846-M1849 PolarHBondContact O-N 3.44Å; L1846-F1850 WeakPolarHBondContact O-CD2 3.36Å; L1846-F1850 PolarHBondContact O-N 2.82Å; L1846-F1850 VanDerWaalsContact O-N 3.17Å; L1846-Y1890 HydrophobicContact CD2-CE1 4.15Å; L1846-L1899 HydrophobicContact CD2-CD2 3.4Å; L1846-L1899 VanDerWaalsContact CD2-CD2 3.4Å |
| 1847 | Q | 82.4 | Confident | 84.4 | Confident | 109 Ų | 109 | 61.5 Ų | 61.5 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.5 | -39.2 | -179 | -165.3 | 64.9 | 20.7 | 0 | 0 | 111.1 | N1845 F1850 N1851 | N1845-Q1847 PolarHBondContact O-N 3.25Å; N1845-Q1847 PolarHBondContact OD1-N 3.08Å; Q1847-F1850 PolarHBondContact O-N 3.12Å; Q1847-N1851 PolarHBondContact O-N 3.33Å; Q1847-N1851 PolarHBondContact O-ND2 2.83Å; Q1847-N1851 PolarHBondContact O-OD1 3.22Å |
| 1848 | G | 80.8 | Confident | 84.2 | Confident | 13 Ų | 13 | 64.7 Ų | 64.7 | 13% | 0.134 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1845 F1850 N1851 A1852 | N1845-G1848 PolarHBondContact O-N 3.29Å; N1845-G1848 PolarHBondContact OD1-N 3.47Å; G1848-F1850 PolarHBondContact O-N 3.05Å; G1848-N1851 PolarHBondContact O-N 3.42Å; G1848-A1852 PolarHBondContact O-N 2.79Å |
| 1849 | M | 86.2 | Confident | 84.2 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.3 | -47.4 | 175.2 | -178.2 | -148.4 | 73.9 | 0 | 0 | 111.9 | A1836 Y1840 N1845 L1846 N1851 A1852 L1853 L1899 W1903 | A1836-M1849 HydrophobicContact CB-CG 3.91Å; Y1840-M1849 HydrophobicContact CD2-SD 4.03Å; Y1840-M1849 HydrophobicContact CG-SD 4.08Å; N1845-M1849 PolarHBondContact O-N 3.17Å; L1846-M1849 WeakPolarHBondContact O-CB 3.45Å; L1846-M1849 PolarHBondContact O-N 3.44Å; M1849-N1851 PolarHBondContact O-N 3.1Å; M1849-A1852 PolarHBondContact O-N 3.07Å; M1849-L1853 HydrophobicContact CG-CD1 4.16Å; M1849-L1853 WeakPolarHBondContact O-CG 3.41Å; M1849-L1853 PolarHBondContact O-N 2.91Å; M1849-L1899 HydrophobicContact CE-CD1 4.15Å; M1849-W1903 HydrophobicContact CG-CZ2 3.98Å; M1849-W1903 HydrophobicContact SD-CZ2 3.7Å |
| 1850 | F | 85.7 | Confident | 84.2 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 7% | 0.066 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 178.3 | -69.5 | -56 | 0 | 0 | 0 | 112.8 | L1846 Q1847 G1848 A1852 L1853 E1854 C1887 Y1890 R1891 L1899 | L1846-F1850 WeakPolarHBondContact O-CD2 3.36Å; L1846-F1850 PolarHBondContact O-N 2.82Å; L1846-F1850 VanDerWaalsContact O-N 3.17Å; Q1847-F1850 PolarHBondContact O-N 3.12Å; G1848-F1850 PolarHBondContact O-N 3.05Å; F1850-A1852 PolarHBondContact O-N 3.38Å; F1850-L1853 PolarHBondContact O-N 3.47Å; F1850-E1854 VanDerWaalsContact O-CB 3.29Å; F1850-E1854 WeakPolarHBondContact O-CB 3.3Å; F1850-E1854 PolarHBondContact O-N 3.24Å; F1850-C1887 HydrophobicContact CE1-CB 3.84Å; F1850-Y1890 HydrophobicContact CE2-CD1 4.27Å; F1850-Y1890 HydrophobicContact CE2-CE1 4.27Å; F1850-Y1890 AromaticContact CZ-CD1 3.74Å; F1850-Y1890 HydrophobicContact CZ-CD1 3.74Å; F1850-Y1890 HydrophobicContact CZ-CE1 4.12Å; F1850-R1891 VanDerWaalsContact CB-NH2 3.3Å; F1850-R1891 HydrophobicContact CE2-CG 4.36Å; F1850-R1891 HydrophobicContact CZ-CG 4.44Å; F1850-L1899 HydrophobicContact CZ-CD1 4.25Å |
| 1851 | N | 84.9 | Confident | 84.2 | Confident | 94 Ų | 94 | 63.6 Ų | 63.6 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -30.7 | 178.6 | -68.8 | -10.9 | 0 | 0 | 0 | 112 | Q1847 G1848 M1849 P1855 | Q1847-N1851 PolarHBondContact O-N 3.33Å; Q1847-N1851 PolarHBondContact O-ND2 2.83Å; Q1847-N1851 PolarHBondContact O-OD1 3.22Å; G1848-N1851 PolarHBondContact O-N 3.42Å; M1849-N1851 PolarHBondContact O-N 3.1Å; N1851-P1855 WeakPolarHBondContact O-CD 3.22Å; N1851-P1855 WeakPolarHBondContact O-CG 3.5Å |
| 1852 | A | 84.4 | Confident | 84.1 | Confident | 28 Ų | 28 | 67.7 Ų | 67.7 | 23% | 0.231 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73.4 | -38.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | A1836 L1839 G1848 M1849 F1850 | A1836-A1852 HydrophobicContact CB-CB 4.39Å; L1839-A1852 HydrophobicContact CD1-CB 4.34Å; G1848-A1852 PolarHBondContact O-N 2.79Å; M1849-A1852 PolarHBondContact O-N 3.07Å; F1850-A1852 PolarHBondContact O-N 3.38Å |
| 1853 | L | 87.2 | Confident | 84 | Confident | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -88.1 | -31.3 | -174.4 | -63.9 | 175.7 | 0 | 0 | 0 | 114.4 | L1833 A1836 M1849 F1850 P1855 L1856 H1857 Y1906 | L1833-L1853 HydrophobicContact CD2-CD2 3.83Å; A1836-L1853 HydrophobicContact CB-CD1 3.94Å; A1836-L1853 HydrophobicContact CB-CD2 3.66Å; A1836-L1853 HydrophobicContact CB-CG 3.67Å; M1849-L1853 HydrophobicContact CG-CD1 4.16Å; M1849-L1853 WeakPolarHBondContact O-CG 3.41Å; M1849-L1853 PolarHBondContact O-N 2.91Å; F1850-L1853 PolarHBondContact O-N 3.47Å; L1853-P1855 VanDerWaalsContact C-CD 3.49Å; L1853-L1856 PolarHBondContact O-N 3.42Å; L1853-L1856 VanDerWaalsContact O-N 3.15Å; L1853-H1857 PolarHBondContact O-CD2 2.85Å; L1853-H1857 PolarHBondContact O-N 3.03Å; L1853-H1857 VanDerWaalsContact O-N 3.15Å; L1853-Y1906 HydrophobicContact CD1-CD2 4.46Å; L1853-Y1906 HydrophobicContact CD1-CE2 3.84Å |
| 1854 | E | 84.8 | Confident | 84.1 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.1 | -39.7 | -175.6 | -164.4 | 173.9 | 144 | 0 | 0 | 114.2 | F1850 L1856 H1857 K1858 R1891 | F1850-E1854 VanDerWaalsContact O-CB 3.29Å; F1850-E1854 WeakPolarHBondContact O-CB 3.3Å; F1850-E1854 PolarHBondContact O-N 3.24Å; E1854-L1856 VanDerWaalsContact C-N 3.31Å; E1854-L1856 PolarHBondContact O-N 3.49Å; E1854-H1857 PolarHBondContact O-N 3.35Å; E1854-K1858 PolarHBondContact O-N 3.4Å; E1854-K1858 VanDerWaalsContact O-N 3.11Å; E1854-K1858 IonicContact OE1-NZ 2.8Å; E1854-K1858 PolarHBondContact OE1-NZ 3.41Å; E1854-R1891 IonicContact OE2-CZ 3.79Å; E1854-R1891 IonicContact OE2-NH1 3.28Å; E1854-R1891 PolarHBondContact OE2-NH1 3.15Å; E1854-R1891 IonicContact OE2-NH2 3.81Å; E1854-R1891 PolarHBondContact OE2-NH2 3.41Å |
| 1855 | P | 86.8 | Confident | 84.1 | Confident | 77 Ų | 77 | 56 Ų | 56 | 50% | 0.5 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.7 | -37 | 174 | -22.1 | 33.5 | 0 | 0 | 0 | 113.1 | N1851 L1853 K1858 M1859 | N1851-P1855 WeakPolarHBondContact O-CD 3.22Å; N1851-P1855 WeakPolarHBondContact O-CG 3.5Å; L1853-P1855 VanDerWaalsContact C-CD 3.49Å; P1855-K1858 PolarHBondContact O-N 3.4Å; P1855-M1859 PolarHBondContact O-N 3.23Å |
| 1856 | L | 87.9 | Confident | 84.2 | Confident | 17 Ų | 17 | 53.2 Ų | 53.2 | 9% | 0.089 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.2 | -39 | -178.4 | -61.2 | 175.3 | 0 | 0 | 0 | 111.7 | L1828 W1829 L1853 E1854 M1859 I1860 | L1828-L1856 HydrophobicContact CB-CD2 4.04Å; L1828-L1856 HydrophobicContact CD2-CD2 4.46Å; W1829-L1856 HydrophobicContact CD2-CB 4.41Å; W1829-L1856 HydrophobicContact CE3-CD1 4.43Å; W1829-L1856 HydrophobicContact CH2-CB 3.86Å; W1829-L1856 HydrophobicContact CZ2-CB 3.65Å; W1829-L1856 WeakPolarHBondContact CZ2-O 3.37Å; W1829-L1856 HydrophobicContact CZ3-CB 4.32Å; L1853-L1856 PolarHBondContact O-N 3.42Å; L1853-L1856 VanDerWaalsContact O-N 3.15Å; E1854-L1856 VanDerWaalsContact C-N 3.31Å; E1854-L1856 PolarHBondContact O-N 3.49Å; L1856-M1859 WeakPolarHBondContact O-CB 3.44Å; L1856-M1859 PolarHBondContact O-N 3.12Å; L1856-I1860 PolarHBondContact O-N 3.33Å; L1856-I1860 VanDerWaalsContact O-N 3.16Å |
| 1857 | H | 88.4 | Confident | 84.5 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 172.6 | -77.1 | -63.5 | 0 | 0 | 0 | 112 | W1829 L1853 E1854 M1859 I1860 E1861 L1880 Q1884 Y1906 | W1829-H1857 AromaticContact CH2-CE1 3.48Å; W1829-H1857 VanDerWaalsContact CH2-CE1 3.48Å; W1829-H1857 WeakPolarHBondContact CH2-CE1 3.43Å; W1829-H1857 AromaticContact CH2-CG 3.98Å; W1829-H1857 AromaticContact CH2-ND1 3.62Å; W1829-H1857 AromaticContact CH2-NE2 3.76Å; L1853-H1857 PolarHBondContact O-CD2 2.85Å; L1853-H1857 PolarHBondContact O-N 3.03Å; L1853-H1857 VanDerWaalsContact O-N 3.15Å; E1854-H1857 PolarHBondContact O-N 3.35Å; H1857-M1859 PolarHBondContact O-N 2.89Å; H1857-I1860 PolarHBondContact O-N 3.04Å; H1857-I1860 VanDerWaalsContact O-N 3.17Å; H1857-E1861 WeakPolarHBondContact O-CG 3.44Å; H1857-E1861 PolarHBondContact O-N 3.03Å; H1857-L1880 PolarHBondContact CE1-O 2.89Å; H1857-L1880 VanDerWaalsContact CE1-O 3.24Å; H1857-Q1884 HydrophobicContact CB-CG 4.31Å; H1857-Y1906 AromaticContact NE2-CE1 3.83Å; H1857-Y1906 AromaticContact NE2-CZ 3.76Å; H1857-Y1906 PolarHBondContact NE2-OH 3.15Å |
| 1858 | K | 85.4 | Confident | 84.7 | Confident | 106 Ų | 106 | 52.4 Ų | 52.4 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.1 | -32.7 | 174.5 | -75.1 | 176.4 | -174.2 | 159.9 | 0 | 112.3 | E1854 P1855 R1862 | E1854-K1858 PolarHBondContact O-N 3.4Å; E1854-K1858 VanDerWaalsContact O-N 3.11Å; E1854-K1858 IonicContact OE1-NZ 2.8Å; E1854-K1858 PolarHBondContact OE1-NZ 3.41Å; P1855-K1858 PolarHBondContact O-N 3.4Å; K1858-R1862 PolarHBondContact O-N 3.25Å |
| 1859 | M | 85.4 | Confident | 85 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 19% | 0.192 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 175.1 | -178.3 | -174.9 | 72.6 | 0 | 0 | 111.7 | W1825 L1828 P1855 L1856 H1857 E1861 R1862 | W1825-M1859 HydrophobicContact CB-CE 4.47Å; W1825-M1859 HydrophobicContact CD2-CE 4.05Å; W1825-M1859 HydrophobicContact CG-CE 3.82Å; W1825-M1859 HydrophobicContact CZ2-CG 4.35Å; L1828-M1859 HydrophobicContact CD1-CE 4.02Å; L1828-M1859 HydrophobicContact CD1-SD 3.76Å; P1855-M1859 PolarHBondContact O-N 3.23Å; L1856-M1859 WeakPolarHBondContact O-CB 3.44Å; L1856-M1859 PolarHBondContact O-N 3.12Å; H1857-M1859 PolarHBondContact O-N 2.89Å; M1859-E1861 VanDerWaalsContact C-N 3.32Å; M1859-E1861 PolarHBondContact O-N 2.94Å; M1859-R1862 PolarHBondContact O-N 3.14Å |
| 1860 | I | 84.7 | Confident | 85.1 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 177.1 | -72.6 | -170.6 | 0 | 0 | 0 | 111.4 | W1825 W1829 L1856 H1857 R1862 G1863 F1872 Y1877 L1880 | W1825-I1860 HydrophobicContact CZ3-CG1 4.45Å; W1829-I1860 VanDerWaalsContact CE2-CD1 3.46Å; W1829-I1860 HydrophobicContact CH2-CD1 4.39Å; W1829-I1860 HydrophobicContact CZ2-CD1 3.3Å; W1829-I1860 HydrophobicContact CZ2-CG1 3.88Å; L1856-I1860 PolarHBondContact O-N 3.33Å; L1856-I1860 VanDerWaalsContact O-N 3.16Å; H1857-I1860 PolarHBondContact O-N 3.04Å; H1857-I1860 VanDerWaalsContact O-N 3.17Å; I1860-R1862 PolarHBondContact O-N 3.45Å; I1860-G1863 PolarHBondContact O-N 3.31Å; I1860-F1872 HydrophobicContact CD1-CE1 4Å; I1860-Y1877 HydrophobicContact CG2-CD2 3.39Å; I1860-Y1877 HydrophobicContact CG2-CE2 3.59Å; I1860-L1880 HydrophobicContact CD1-CD1 3.53Å |
| 1861 | E | 82.6 | Confident | 85.2 | Confident | 103 Ų | 103 | 58.4 Ų | 58.4 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.2 | -24.5 | 179.9 | -75.2 | -179.3 | 166.9 | 0 | 0 | 113.6 | H1857 M1859 G1863 K1881 | H1857-E1861 WeakPolarHBondContact O-CG 3.44Å; H1857-E1861 PolarHBondContact O-N 3.03Å; M1859-E1861 VanDerWaalsContact C-N 3.32Å; M1859-E1861 PolarHBondContact O-N 2.94Å; E1861-G1863 PolarHBondContact O-N 3.32Å; E1861-K1881 IonicContact OE1-NZ 2.81Å; E1861-K1881 PolarHBondContact OE1-NZ 3.22Å |
| 1862 | R | 81.6 | Confident | 85.4 | Confident | 220 Ų | 220 | 54 Ų | 54 | 83% | 0.83 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.2 | 173.7 | -68.7 | 174.4 | -177.2 | -179.3 | 0.2 | 113.3 | K1858 M1859 I1860 | K1858-R1862 PolarHBondContact O-N 3.25Å; M1859-R1862 PolarHBondContact O-N 3.14Å; I1860-R1862 PolarHBondContact O-N 3.45Å |
| 1863 | G | 78.9 | Confident | 85.5 | Confident | 32 Ų | 32 | 54.1 Ų | 54.1 | 33% | 0.33 | 28% | 0.282 | S | S | . | . | trans | 85.5 | 158.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1860 E1861 | I1860-G1863 PolarHBondContact O-N 3.31Å; E1861-G1863 PolarHBondContact O-N 3.32Å | ||
| 1864 | P | 84 | Confident | 85.5 | Confident | 43 Ų | 43 | 61.6 Ų | 61.6 | 28% | 0.279 | 32% | 0.316 | S | S | . | . | trans | -77.3 | 134.4 | -177.5 | 30.6 | -33.4 | 0 | 0 | 0 | 111.9 | W1825 E1869 Q1870 N1873 | W1825-P1864 HydrophobicContact CH2-CB 4.33Å; P1864-E1869 HydrophobicContact CB-CB 3.7Å; P1864-Q1870 HydrophobicContact CB-CB 4.01Å; P1864-Q1870 HydrophobicContact CG-CB 4.12Å; P1864-Q1870 HydrophobicContact CG-CG 4.21Å; P1864-N1873 HydrophobicContact CG-CB 4.42Å | ||
| 1865 | A | 82 | Confident | 85.6 | Confident | 72 Ų | 72 | 60.4 Ų | 60.4 | 60% | 0.595 | 32% | 0.317 | S | S | * | . | trans | -100.9 | -16.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1869 | A1865-E1869 PolarHBondContact N-OE2 2.87Š| ||
| 1866 | T | 85.6 | Confident | 85.8 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -129.4 | 160.2 | -175.6 | 68.7 | 0 | 0 | 0 | 0 | 111.3 | K1868 E1869 Q1870 V1928 | T1866-K1868 PolarHBondContact O-N 3Å; T1866-E1869 PolarHBondContact N-OE2 3.19Å; T1866-E1869 PolarHBondContact O-N 3.16Å; T1866-E1869 WeakPolarHBondContact OG1-CG 3.28Å; T1866-E1869 PolarHBondContact OG1-N 3.22Å; T1866-E1869 PolarHBondContact OG1-OE1 3.28Å; T1866-Q1870 WeakPolarHBondContact O-CB 3.43Å; T1866-Q1870 PolarHBondContact O-N 3.39Å; T1866-V1928 VanDerWaalsContact CG2-O 3.3Å; T1866-V1928 WeakPolarHBondContact CG2-O 3.02Å |
| 1867 | I | 85 | Confident | 85.8 | Confident | 90 Ų | 90 | 60.6 Ų | 60.6 | 46% | 0.462 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.5 | -36.7 | -178.4 | -58.5 | 170.8 | 0 | 0 | 0 | 110.4 | Q1870 S1871 Y1927 | I1867-Q1870 PolarHBondContact O-N 3.24Å; I1867-S1871 PolarHBondContact O-N 2.78Å; I1867-Y1927 HydrophobicContact CB-CD1 4.31Å; I1867-Y1927 HydrophobicContact CD1-CD1 4.25Å; I1867-Y1927 HydrophobicContact CG2-CD1 3.99Å; I1867-Y1927 PolarHBondContact N-O 2.99Å |
| 1868 | K | 85.7 | Confident | 85.8 | Confident | 60 Ų | 60 | 69.4 Ų | 69.4 | 26% | 0.261 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.2 | -41.9 | 177.8 | -162.2 | 67.5 | 173 | -179.5 | 0 | 112.2 | T1866 Q1870 S1871 F1872 Y1927 V1928 | T1866-K1868 PolarHBondContact O-N 3Å; K1868-Q1870 VanDerWaalsContact C-N 3.28Å; K1868-Q1870 PolarHBondContact O-N 3.3Å; K1868-S1871 PolarHBondContact O-N 2.82Å; K1868-S1871 PolarHBondContact O-OG 2.72Å; K1868-F1872 PolarHBondContact O-N 2.95Å; K1868-Y1927 WeakPolarHBondContact CB-O 3.42Å; K1868-Y1927 PolarHBondContact N-O 3.06Å; K1868-V1928 HydrophobicContact CB-CG2 4.36Å; K1868-V1928 HydrophobicContact CG-CG2 4.48Å |
| 1869 | E | 87.9 | Confident | 86 | Confident | 14 Ų | 14 | 66 Ų | 66 | 7% | 0.065 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.5 | -39 | 172.9 | -70.2 | 164.8 | -155.1 | 0 | 0 | 111.1 | R1820 W1825 P1864 A1865 T1866 S1871 F1872 N1873 | R1820-E1869 WeakPolarHBondContact CD-OE1 3.38Å; R1820-E1869 IonicContact CZ-OE1 3.78Å; R1820-E1869 IonicContact NH1-OE1 2.71Å; R1820-E1869 PolarHBondContact NH1-OE1 3.41Å; R1820-E1869 IonicContact NH1-OE2 3.12Å; R1820-E1869 PolarHBondContact NH1-OE2 3.45Å; W1825-E1869 HydrophobicContact CD2-CB 4.21Å; W1825-E1869 HydrophobicContact CD2-CG 3.85Å; W1825-E1869 HydrophobicContact CE3-CB 4.12Å; W1825-E1869 HydrophobicContact CE3-CG 4.28Å; W1825-E1869 HydrophobicContact CG-CG 4.2Å; W1825-E1869 HydrophobicContact CH2-CB 4.25Å; W1825-E1869 HydrophobicContact CZ2-CB 4.3Å; W1825-E1869 HydrophobicContact CZ2-CG 4.13Å; W1825-E1869 HydrophobicContact CZ3-CB 4.15Å; P1864-E1869 HydrophobicContact CB-CB 3.7Å; A1865-E1869 PolarHBondContact N-OE2 2.87Å; T1866-E1869 PolarHBondContact N-OE2 3.19Å; T1866-E1869 PolarHBondContact O-N 3.16Å; T1866-E1869 WeakPolarHBondContact OG1-CG 3.28Å; T1866-E1869 PolarHBondContact OG1-N 3.22Å; T1866-E1869 PolarHBondContact OG1-OE1 3.28Å; E1869-S1871 VanDerWaalsContact C-N 3.32Å; E1869-S1871 PolarHBondContact O-N 2.83Å; E1869-F1872 WeakPolarHBondContact O-CB 3.11Å; E1869-F1872 PolarHBondContact O-N 3.39Å; E1869-N1873 WeakPolarHBondContact O-CB 3.38Å; E1869-N1873 PolarHBondContact O-N 2.89Å |
| 1870 | Q | 87.5 | Confident | 86.2 | Confident | 99 Ų | 99 | 64.2 Ų | 64.2 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 176.8 | -167 | 158.1 | 10.3 | 0 | 0 | 111.8 | P1864 T1866 I1867 K1868 N1873 Q1874 | P1864-Q1870 HydrophobicContact CB-CB 4.01Å; P1864-Q1870 HydrophobicContact CG-CB 4.12Å; P1864-Q1870 HydrophobicContact CG-CG 4.21Å; T1866-Q1870 WeakPolarHBondContact O-CB 3.43Å; T1866-Q1870 PolarHBondContact O-N 3.39Å; I1867-Q1870 PolarHBondContact O-N 3.24Å; K1868-Q1870 VanDerWaalsContact C-N 3.28Å; K1868-Q1870 PolarHBondContact O-N 3.3Å; Q1870-N1873 PolarHBondContact O-N 2.81Å; Q1870-Q1874 WeakPolarHBondContact O-CG 3.27Å; Q1870-Q1874 PolarHBondContact O-N 3.28Å |
| 1871 | S | 88.4 | Confident | 86.5 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 30% | 0.301 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 173.3 | 76 | 0 | 0 | 0 | 0 | 112.9 | I1867 K1868 E1869 A1875 | I1867-S1871 PolarHBondContact O-N 2.78Å; K1868-S1871 PolarHBondContact O-N 2.82Å; K1868-S1871 PolarHBondContact O-OG 2.72Å; E1869-S1871 VanDerWaalsContact C-N 3.32Å; E1869-S1871 PolarHBondContact O-N 2.83Å; S1871-A1875 WeakPolarHBondContact O-CB 3.45Å; S1871-A1875 PolarHBondContact O-N 2.86Å; S1871-A1875 VanDerWaalsContact O-N 3.16Å |
| 1872 | F | 89 | Confident | 86.8 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 174 | -179 | -86 | 0 | 0 | 0 | 110.6 | W1825 H1826 W1829 I1860 K1868 E1869 Q1874 A1875 Y1876 L1880 I1913 | W1825-F1872 HydrophobicContact CB-CD1 4.26Å; W1825-F1872 HydrophobicContact CB-CD2 4.32Å; W1825-F1872 HydrophobicContact CB-CG 4.14Å; W1825-F1872 HydrophobicContact CE3-CB 4.32Å; W1825-F1872 AromaticContact CE3-CD1 3.64Å; W1825-F1872 HydrophobicContact CE3-CD1 3.64Å; W1825-F1872 HydrophobicContact CE3-CE1 4.34Å; W1825-F1872 HydrophobicContact CE3-CG 4.21Å; W1825-F1872 HydrophobicContact CZ3-CD1 4.41Å; H1826-F1872 HydrophobicContact CB-CD2 4.41Å; H1826-F1872 HydrophobicContact CB-CE2 4.41Å; H1826-F1872 AromaticContact CD2-CD2 3.61Å; H1826-F1872 AromaticContact CE1-CD2 3.57Å; H1826-F1872 AromaticContact CG-CD2 3.61Å; H1826-F1872 AromaticContact ND1-CD2 3.6Å; H1826-F1872 AromaticContact NE2-CD2 3.6Å; W1829-F1872 HydrophobicContact CB-CZ 4.07Å; W1829-F1872 AromaticContact CD1-CE1 3.69Å; W1829-F1872 AromaticContact CD1-CZ 3.35Å; W1829-F1872 HydrophobicContact CG-CE1 4.37Å; W1829-F1872 AromaticContact CG-CZ 3.71Å; W1829-F1872 HydrophobicContact CG-CZ 3.71Å; W1829-F1872 AromaticContact NE1-CE1 3.92Å; I1860-F1872 HydrophobicContact CD1-CE1 4Å; K1868-F1872 PolarHBondContact O-N 2.95Å; E1869-F1872 WeakPolarHBondContact O-CB 3.11Å; E1869-F1872 PolarHBondContact O-N 3.39Å; F1872-Q1874 VanDerWaalsContact C-N 3.33Å; F1872-Q1874 PolarHBondContact O-N 3.21Å; F1872-A1875 PolarHBondContact O-N 2.84Å; F1872-A1875 VanDerWaalsContact O-N 3.08Å; F1872-Y1876 HydrophobicContact CD1-CD2 4.16Å; F1872-Y1876 AromaticContact CD2-CD2 3.4Å; F1872-Y1876 HydrophobicContact CD2-CD2 3.4Å; F1872-Y1876 VanDerWaalsContact CD2-CD2 3.4Å; F1872-Y1876 AromaticContact CD2-CE2 3.61Å; F1872-Y1876 HydrophobicContact CD2-CE2 3.61Å; F1872-Y1876 HydrophobicContact CE1-CD2 4.18Å; F1872-Y1876 AromaticContact CE2-CD2 3.43Å; F1872-Y1876 HydrophobicContact CE2-CD2 3.43Å; F1872-Y1876 VanDerWaalsContact CE2-CD2 3.43Å; F1872-Y1876 AromaticContact CE2-CE2 3.78Å; F1872-Y1876 HydrophobicContact CE2-CE2 3.78Å; F1872-Y1876 HydrophobicContact CE2-CG 4.3Å; F1872-Y1876 AromaticContact CG-CD2 3.81Å; F1872-Y1876 HydrophobicContact CG-CD2 3.81Å; F1872-Y1876 HydrophobicContact CG-CE2 4.31Å; F1872-Y1876 AromaticContact CZ-CD2 3.84Å; F1872-Y1876 HydrophobicContact CZ-CD2 3.84Å; F1872-Y1876 HydrophobicContact CZ-CG 4.37Å; F1872-Y1876 VanDerWaalsContact O-CD2 3.27Å; F1872-Y1876 WeakPolarHBondContact O-CD2 3.44Å; F1872-Y1876 PolarHBondContact O-N 3.14Å; F1872-L1880 HydrophobicContact CE1-CD1 4.06Å; F1872-L1880 HydrophobicContact CZ-CD1 4.18Å; F1872-I1913 HydrophobicContact CE2-CD1 3.94Å; F1872-I1913 HydrophobicContact CZ-CD1 4.3Å |
| 1873 | N | 87.5 | Confident | 87.2 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 16% | 0.16 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.7 | -44.9 | -178.9 | -147.9 | 27.5 | 0 | 0 | 0 | 110.7 | P1864 E1869 Q1870 A1875 Y1877 | P1864-N1873 HydrophobicContact CG-CB 4.42Å; E1869-N1873 WeakPolarHBondContact O-CB 3.38Å; E1869-N1873 PolarHBondContact O-N 2.89Å; Q1870-N1873 PolarHBondContact O-N 2.81Å; N1873-A1875 VanDerWaalsContact C-N 3.26Å; N1873-A1875 PolarHBondContact O-N 2.78Å; N1873-Y1877 WeakPolarHBondContact O-CB 3.21Å; N1873-Y1877 PolarHBondContact O-N 3.09Å; N1873-Y1877 VanDerWaalsContact OD1-CB 3.31Å; N1873-Y1877 WeakPolarHBondContact OD1-CB 3.32Å; N1873-Y1877 WeakPolarHBondContact OD1-CD2 3.46Å |
| 1874 | Q | 86.9 | Confident | 87.7 | Confident | 160 Ų | 160 | 55.4 Ų | 55.4 | 75% | 0.748 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.4 | -33.5 | 175.5 | -74.3 | 174.8 | -4.9 | 0 | 0 | 113.5 | Q1870 F1872 | Q1870-Q1874 WeakPolarHBondContact O-CG 3.27Å; Q1870-Q1874 PolarHBondContact O-N 3.28Å; F1872-Q1874 VanDerWaalsContact C-N 3.33Å; F1872-Q1874 PolarHBondContact O-N 3.21Å |
| 1875 | A | 87 | Confident | 87.8 | Confident | 37 Ų | 37 | 57 Ų | 57 | 31% | 0.306 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -85.4 | -29.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1871 F1872 N1873 R1912 | S1871-A1875 WeakPolarHBondContact O-CB 3.45Å; S1871-A1875 PolarHBondContact O-N 2.86Å; S1871-A1875 VanDerWaalsContact O-N 3.16Å; F1872-A1875 PolarHBondContact O-N 2.84Å; F1872-A1875 VanDerWaalsContact O-N 3.08Å; N1873-A1875 VanDerWaalsContact C-N 3.26Å; N1873-A1875 PolarHBondContact O-N 2.78Å; A1875-R1912 PolarHBondContact O-NH1 3.43Å |
| 1876 | Y | 90.4 | Very high | 88.1 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -131.9 | -14.5 | -168.1 | -50 | -69.3 | 0 | 0 | 0 | 115.4 | F1872 R1878 D1879 L1880 V1909 R1912 I1913 Q1916 | F1872-Y1876 HydrophobicContact CD1-CD2 4.16Å; F1872-Y1876 AromaticContact CD2-CD2 3.4Å; F1872-Y1876 HydrophobicContact CD2-CD2 3.4Å; F1872-Y1876 VanDerWaalsContact CD2-CD2 3.4Å; F1872-Y1876 AromaticContact CD2-CE2 3.61Å; F1872-Y1876 HydrophobicContact CD2-CE2 3.61Å; F1872-Y1876 HydrophobicContact CE1-CD2 4.18Å; F1872-Y1876 AromaticContact CE2-CD2 3.43Å; F1872-Y1876 HydrophobicContact CE2-CD2 3.43Å; F1872-Y1876 VanDerWaalsContact CE2-CD2 3.43Å; F1872-Y1876 AromaticContact CE2-CE2 3.78Å; F1872-Y1876 HydrophobicContact CE2-CE2 3.78Å; F1872-Y1876 HydrophobicContact CE2-CG 4.3Å; F1872-Y1876 AromaticContact CG-CD2 3.81Å; F1872-Y1876 HydrophobicContact CG-CD2 3.81Å; F1872-Y1876 HydrophobicContact CG-CE2 4.31Å; F1872-Y1876 AromaticContact CZ-CD2 3.84Å; F1872-Y1876 HydrophobicContact CZ-CD2 3.84Å; F1872-Y1876 HydrophobicContact CZ-CG 4.37Å; F1872-Y1876 VanDerWaalsContact O-CD2 3.27Å; F1872-Y1876 WeakPolarHBondContact O-CD2 3.44Å; F1872-Y1876 PolarHBondContact O-N 3.14Å; Y1876-R1878 VanDerWaalsContact C-N 3.3Å; Y1876-R1878 PolarHBondContact O-N 2.76Å; Y1876-D1879 PolarHBondContact O-N 3.22Å; Y1876-L1880 WeakPolarHBondContact O-CG 3.43Å; Y1876-L1880 PolarHBondContact O-N 3.45Å; Y1876-V1909 HydrophobicContact CD1-CG1 3.95Å; Y1876-V1909 HydrophobicContact CG-CG1 4.28Å; Y1876-R1912 HydrophobicContact CE1-CB 4Å; Y1876-I1913 HydrophobicContact CE1-CG1 4.32Å; Y1876-I1913 HydrophobicContact CE2-CG1 4.46Å; Y1876-Q1916 PolarHBondContact OH-OE1 2.76Å |
| 1877 | Y | 88.1 | Confident | 88 | Confident | 96 Ų | 96 | 54.3 Ų | 54.3 | 38% | 0.376 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54.3 | -44.8 | -173.1 | 177.5 | -105.5 | 0 | 0 | 0 | 113.4 | I1860 N1873 L1880 K1881 | I1860-Y1877 HydrophobicContact CG2-CD2 3.39Å; I1860-Y1877 HydrophobicContact CG2-CE2 3.59Å; N1873-Y1877 WeakPolarHBondContact O-CB 3.21Å; N1873-Y1877 PolarHBondContact O-N 3.09Å; N1873-Y1877 VanDerWaalsContact OD1-CB 3.31Å; N1873-Y1877 WeakPolarHBondContact OD1-CB 3.32Å; N1873-Y1877 WeakPolarHBondContact OD1-CD2 3.46Å; Y1877-L1880 PolarHBondContact O-N 2.95Å; Y1877-K1881 VanDerWaalsContact O-CB 3.28Å; Y1877-K1881 WeakPolarHBondContact O-CB 3.39Å; Y1877-K1881 PolarHBondContact O-N 3.36Å |
| 1878 | R | 87.4 | Confident | 88 | Confident | 193 Ų | 193 | 52.9 Ų | 52.9 | 73% | 0.728 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -59.8 | -51.3 | -178.2 | -176.2 | -178.3 | 175.8 | -179.2 | -0.6 | 111.2 | Y1876 L1880 K1881 E1882 | Y1876-R1878 VanDerWaalsContact C-N 3.3Å; Y1876-R1878 PolarHBondContact O-N 2.76Å; R1878-L1880 VanDerWaalsContact C-N 3.35Å; R1878-L1880 PolarHBondContact O-N 2.72Å; R1878-K1881 PolarHBondContact O-N 2.73Å; R1878-E1882 WeakPolarHBondContact O-CB 3.39Å; R1878-E1882 PolarHBondContact O-N 2.94Å |
| 1879 | D | 90.4 | Very high | 87.9 | Confident | 35 Ų | 35 | 55.1 Ų | 55.1 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | -178.2 | -56.9 | -13 | 0 | 0 | 0 | 110.8 | Y1876 A1883 H1908 V1909 R1912 | Y1876-D1879 PolarHBondContact O-N 3.22Å; D1879-A1883 WeakPolarHBondContact O-CB 3.35Å; D1879-A1883 PolarHBondContact O-N 3.33Å; D1879-H1908 IonicContact OD2-CD2 3.98Å; D1879-V1909 HydrophobicContact CB-CG2 3.71Å; D1879-R1912 IonicContact OD2-NH1 3.86Å |
| 1880 | L | 90.6 | Very high | 87.8 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.3 | -41.3 | 179.3 | -70.1 | 175.2 | 0 | 0 | 0 | 112.4 | W1829 H1857 I1860 F1872 Y1876 Y1877 R1878 A1883 Q1884 Y1906 V1909 | W1829-L1880 HydrophobicContact CD2-CD1 3.89Å; W1829-L1880 HydrophobicContact CD2-CD2 4.38Å; W1829-L1880 HydrophobicContact CE3-CD1 4.09Å; W1829-L1880 HydrophobicContact CE3-CD2 3.73Å; W1829-L1880 HydrophobicContact CH2-CD1 4.12Å; W1829-L1880 HydrophobicContact CH2-CD2 3.97Å; W1829-L1880 HydrophobicContact CH2-CG 4.45Å; W1829-L1880 HydrophobicContact CZ2-CD1 3.9Å; W1829-L1880 HydrophobicContact CZ3-CD1 4.21Å; W1829-L1880 HydrophobicContact CZ3-CD2 3.51Å; W1829-L1880 HydrophobicContact CZ3-CG 4.4Å; H1857-L1880 PolarHBondContact CE1-O 2.89Å; H1857-L1880 VanDerWaalsContact CE1-O 3.24Å; I1860-L1880 HydrophobicContact CD1-CD1 3.53Å; F1872-L1880 HydrophobicContact CE1-CD1 4.06Å; F1872-L1880 HydrophobicContact CZ-CD1 4.18Å; Y1876-L1880 WeakPolarHBondContact O-CG 3.43Å; Y1876-L1880 PolarHBondContact O-N 3.45Å; Y1877-L1880 PolarHBondContact O-N 2.95Å; R1878-L1880 VanDerWaalsContact C-N 3.35Å; R1878-L1880 PolarHBondContact O-N 2.72Å; L1880-A1883 PolarHBondContact O-N 3.05Å; L1880-Q1884 PolarHBondContact O-N 3.02Å; L1880-Y1906 HydrophobicContact CD2-CD1 4.09Å; L1880-Y1906 HydrophobicContact CD2-CE1 4.16Å; L1880-V1909 HydrophobicContact CD2-CB 4.37Å; L1880-V1909 HydrophobicContact CD2-CG1 4.08Å; L1880-V1909 HydrophobicContact CD2-CG2 4.22Å; L1880-V1909 HydrophobicContact CG-CG1 4.39Å; L1880-V1909 HydrophobicContact CG-CG2 4.39Å |
| 1881 | K | 89.2 | Confident | 87.5 | Confident | 54 Ų | 54 | 56.9 Ų | 56.9 | 24% | 0.235 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 177.8 | -171.5 | 66.1 | -173.2 | 172.2 | 0 | 111.2 | E1861 Y1877 R1878 A1883 Q1884 D1885 | E1861-K1881 IonicContact OE1-NZ 2.81Å; E1861-K1881 PolarHBondContact OE1-NZ 3.22Å; Y1877-K1881 VanDerWaalsContact O-CB 3.28Å; Y1877-K1881 WeakPolarHBondContact O-CB 3.39Å; Y1877-K1881 PolarHBondContact O-N 3.36Å; R1878-K1881 PolarHBondContact O-N 2.73Å; K1881-A1883 VanDerWaalsContact C-N 3.33Å; K1881-A1883 PolarHBondContact O-N 3.43Å; K1881-Q1884 WeakPolarHBondContact O-CB 3.37Å; K1881-Q1884 PolarHBondContact O-N 3.26Å; K1881-Q1884 VanDerWaalsContact O-N 3.16Å; K1881-D1885 PolarHBondContact O-N 3.32Å |
| 1882 | E | 89.4 | Confident | 87.1 | Confident | 97 Ų | 97 | 62.2 Ų | 62.2 | 45% | 0.453 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 175 | -170.3 | 168.8 | 179.8 | 0 | 0 | 111.5 | R1878 Q1884 D1885 L1886 L1905 | R1878-E1882 WeakPolarHBondContact O-CB 3.39Å; R1878-E1882 PolarHBondContact O-N 2.94Å; E1882-Q1884 VanDerWaalsContact C-N 3.35Å; E1882-Q1884 PolarHBondContact O-N 3.35Å; E1882-D1885 PolarHBondContact O-N 3.44Å; E1882-L1886 VanDerWaalsContact O-CG 3.29Å; E1882-L1886 WeakPolarHBondContact O-CG 3.41Å; E1882-L1886 PolarHBondContact O-N 3.45Å; E1882-L1905 HydrophobicContact CB-CD1 3.96Å; E1882-L1905 HydrophobicContact CG-CD1 3.83Å |
| 1883 | A | 89.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -38.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1879 L1880 K1881 C1887 L1905 Y1906 | D1879-A1883 WeakPolarHBondContact O-CB 3.35Å; D1879-A1883 PolarHBondContact O-N 3.33Å; L1880-A1883 PolarHBondContact O-N 3.05Å; K1881-A1883 VanDerWaalsContact C-N 3.33Å; K1881-A1883 PolarHBondContact O-N 3.43Å; A1883-C1887 PolarHBondContact O-N 3.4Å; A1883-C1887 PolarHBondContact O-SG 3.4Å; A1883-L1905 HydrophobicContact CB-CB 3.93Å; A1883-L1905 HydrophobicContact CB-CD1 4.15Å; A1883-Y1906 HydrophobicContact CB-CD1 3.96Å; A1883-Y1906 HydrophobicContact CB-CD2 4.35Å; A1883-Y1906 HydrophobicContact CB-CE1 3.63Å; A1883-Y1906 HydrophobicContact CB-CE2 4.03Å; A1883-Y1906 HydrophobicContact CB-CG 4.31Å |
| 1884 | Q | 89.8 | Confident | 86.4 | Confident | 27 Ų | 27 | 67 Ų | 67 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65 | -46.6 | 175.1 | -164.9 | -168.8 | 14.2 | 0 | 0 | 111.4 | H1857 L1880 K1881 E1882 L1886 C1887 V1888 | H1857-Q1884 HydrophobicContact CB-CG 4.31Å; L1880-Q1884 PolarHBondContact O-N 3.02Å; K1881-Q1884 WeakPolarHBondContact O-CB 3.37Å; K1881-Q1884 PolarHBondContact O-N 3.26Å; K1881-Q1884 VanDerWaalsContact O-N 3.16Å; E1882-Q1884 VanDerWaalsContact C-N 3.35Å; E1882-Q1884 PolarHBondContact O-N 3.35Å; Q1884-L1886 VanDerWaalsContact C-N 3.26Å; Q1884-L1886 PolarHBondContact O-N 3.15Å; Q1884-C1887 CarbonylContact O-C 3.57Å; Q1884-C1887 WeakPolarHBondContact O-CA 3.22Å; Q1884-C1887 VanDerWaalsContact O-CB 3.3Å; Q1884-C1887 WeakPolarHBondContact O-CB 3.3Å; Q1884-C1887 PolarHBondContact O-N 3.17Å; Q1884-V1888 WeakPolarHBondContact O-CG2 3.5Å; Q1884-V1888 PolarHBondContact O-N 2.98Å |
| 1885 | D | 87.5 | Confident | 86 | Confident | 75 Ų | 75 | 62.2 Ų | 62.2 | 40% | 0.401 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.9 | -37.3 | -179.3 | -69.3 | -17.4 | 0 | 0 | 0 | 110.7 | K1881 E1882 V1888 K1889 | K1881-D1885 PolarHBondContact O-N 3.32Å; E1882-D1885 PolarHBondContact O-N 3.44Å; D1885-V1888 PolarHBondContact O-N 3.26Å; D1885-K1889 WeakPolarHBondContact O-CB 3.45Å; D1885-K1889 VanDerWaalsContact O-CG 3.3Å; D1885-K1889 WeakPolarHBondContact O-CG 3.46Å; D1885-K1889 PolarHBondContact O-N 2.77Å |
| 1886 | L | 86.6 | Confident | 85.6 | Confident | 19 Ų | 19 | 65 Ų | 65 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 171.2 | -70.6 | 169.4 | 0 | 0 | 0 | 112.4 | E1882 Q1884 K1889 Y1890 Q1901 A1902 L1905 | E1882-L1886 VanDerWaalsContact O-CG 3.29Å; E1882-L1886 WeakPolarHBondContact O-CG 3.41Å; E1882-L1886 PolarHBondContact O-N 3.45Å; Q1884-L1886 VanDerWaalsContact C-N 3.26Å; Q1884-L1886 PolarHBondContact O-N 3.15Å; L1886-K1889 PolarHBondContact O-N 2.8Å; L1886-Y1890 WeakPolarHBondContact O-CB 3.49Å; L1886-Y1890 PolarHBondContact O-N 2.67Å; L1886-Q1901 HydrophobicContact CD1-CB 3.89Å; L1886-A1902 HydrophobicContact CB-CB 3.9Å; L1886-A1902 HydrophobicContact CD1-CB 4.48Å; L1886-L1905 HydrophobicContact CD1-CD1 3.99Å |
| 1887 | C | 85.4 | Confident | 85.1 | Confident | 7 Ų | 7 | 74.7 Ų | 74.7 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64 | -40.4 | 173.8 | -72.5 | 0 | 0 | 0 | 0 | 112.5 | F1850 A1883 Q1884 Y1890 R1891 | F1850-C1887 HydrophobicContact CE1-CB 3.84Å; A1883-C1887 PolarHBondContact O-N 3.4Å; A1883-C1887 PolarHBondContact O-SG 3.4Å; Q1884-C1887 CarbonylContact O-C 3.57Å; Q1884-C1887 WeakPolarHBondContact O-CA 3.22Å; Q1884-C1887 VanDerWaalsContact O-CB 3.3Å; Q1884-C1887 WeakPolarHBondContact O-CB 3.3Å; Q1884-C1887 PolarHBondContact O-N 3.17Å; C1887-Y1890 PolarHBondContact O-N 3.5Å; C1887-R1891 PolarHBondContact O-N 3.22Å |
| 1888 | V | 84.6 | Confident | 84.8 | Confident | 60 Ų | 60 | 72.3 Ų | 72.3 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.5 | -41.2 | 176.8 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | Q1884 D1885 Y1890 R1891 Q1892 | Q1884-V1888 WeakPolarHBondContact O-CG2 3.5Å; Q1884-V1888 PolarHBondContact O-N 2.98Å; D1885-V1888 PolarHBondContact O-N 3.26Å; V1888-Y1890 VanDerWaalsContact C-N 3.34Å; V1888-R1891 WeakPolarHBondContact O-CB 3.39Å; V1888-R1891 PolarHBondContact O-N 3.31Å; V1888-Q1892 WeakPolarHBondContact O-CG 3.31Å; V1888-Q1892 PolarHBondContact O-N 3.18Å |
| 1889 | K | 82.7 | Confident | 84.7 | Confident | 108 Ų | 108 | 63.1 Ų | 63.1 | 47% | 0.47 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 171.8 | -76.9 | 174.8 | -177.4 | 173.7 | 0 | 111.4 | D1885 L1886 R1891 Q1892 T1893 E1898 | D1885-K1889 WeakPolarHBondContact O-CB 3.45Å; D1885-K1889 VanDerWaalsContact O-CG 3.3Å; D1885-K1889 WeakPolarHBondContact O-CG 3.46Å; D1885-K1889 PolarHBondContact O-N 2.77Å; L1886-K1889 PolarHBondContact O-N 2.8Å; K1889-R1891 VanDerWaalsContact C-N 3.34Å; K1889-R1891 PolarHBondContact O-N 2.71Å; K1889-Q1892 CarbonylContact O-C 3.51Å; K1889-Q1892 WeakPolarHBondContact O-CA 3.39Å; K1889-Q1892 WeakPolarHBondContact O-CB 3.23Å; K1889-Q1892 PolarHBondContact O-N 3.33Å; K1889-T1893 WeakPolarHBondContact O-CG2 3.45Å; K1889-T1893 PolarHBondContact O-N 3.32Å; K1889-T1893 PolarHBondContact O-OG1 3.28Å; K1889-T1893 VanDerWaalsContact O-OG1 3.13Å; K1889-E1898 WeakPolarHBondContact CB-OE2 3.46Å |
| 1890 | Y | 85.5 | Confident | 84.4 | Confident | 29 Ų | 29 | 65 Ų | 65 | 11% | 0.114 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 174.5 | 174.1 | -96.2 | 0 | 0 | 0 | 112.7 | L1846 F1850 L1886 C1887 V1888 Q1892 T1893 G1894 C1895 N1896 E1898 L1899 | L1846-Y1890 HydrophobicContact CD2-CE1 4.15Å; F1850-Y1890 HydrophobicContact CE2-CD1 4.27Å; F1850-Y1890 HydrophobicContact CE2-CE1 4.27Å; F1850-Y1890 AromaticContact CZ-CD1 3.74Å; F1850-Y1890 HydrophobicContact CZ-CD1 3.74Å; F1850-Y1890 HydrophobicContact CZ-CE1 4.12Å; L1886-Y1890 WeakPolarHBondContact O-CB 3.49Å; L1886-Y1890 PolarHBondContact O-N 2.67Å; C1887-Y1890 PolarHBondContact O-N 3.5Å; V1888-Y1890 VanDerWaalsContact C-N 3.34Å; Y1890-Q1892 PolarHBondContact O-N 3.1Å; Y1890-T1893 PolarHBondContact O-N 3.09Å; Y1890-G1894 WeakPolarHBondContact O-CA 3.37Å; Y1890-G1894 PolarHBondContact O-N 3.3Å; Y1890-C1895 WeakPolarHBondContact CD2-O 3.45Å; Y1890-N1896 WeakPolarHBondContact CE2-OD1 3.4Å; Y1890-N1896 PolarHBondContact OH-OD1 3.44Å; Y1890-E1898 PolarHBondContact N-OE2 2.78Å; Y1890-L1899 HydrophobicContact CD1-CD1 4.25Å; Y1890-L1899 HydrophobicContact CD2-CB 3.85Å; Y1890-L1899 HydrophobicContact CE1-CD2 4.14Å; Y1890-L1899 HydrophobicContact CE2-CB 4.14Å; Y1890-L1899 HydrophobicContact CE2-CD2 4.25Å; Y1890-L1899 HydrophobicContact CG-CB 4.11Å; Y1890-L1899 HydrophobicContact CG-CD1 4.32Å |
| 1891 | R | 82.2 | Confident | 84.1 | Confident | 120 Ų | 120 | 70.1 Ų | 70.1 | 45% | 0.453 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.7 | -27.3 | 173.7 | -89.3 | -175.4 | -175.7 | 165.8 | -2.1 | 112.5 | F1850 E1854 C1887 V1888 K1889 | F1850-R1891 VanDerWaalsContact CB-NH2 3.3Å; F1850-R1891 HydrophobicContact CE2-CG 4.36Å; F1850-R1891 HydrophobicContact CZ-CG 4.44Å; E1854-R1891 IonicContact OE2-CZ 3.79Å; E1854-R1891 IonicContact OE2-NH1 3.28Å; E1854-R1891 PolarHBondContact OE2-NH1 3.15Å; E1854-R1891 IonicContact OE2-NH2 3.81Å; E1854-R1891 PolarHBondContact OE2-NH2 3.41Å; C1887-R1891 PolarHBondContact O-N 3.22Å; V1888-R1891 WeakPolarHBondContact O-CB 3.39Å; V1888-R1891 PolarHBondContact O-N 3.31Å; K1889-R1891 VanDerWaalsContact C-N 3.34Å; K1889-R1891 PolarHBondContact O-N 2.71Å |
| 1892 | Q | 80.5 | Confident | 84 | Confident | 155 Ų | 155 | 67.5 Ų | 67.5 | 72% | 0.724 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -88.9 | -37.3 | 177.7 | -64.8 | 175 | -0.1 | 0 | 0 | 113.1 | V1888 K1889 Y1890 | V1888-Q1892 WeakPolarHBondContact O-CG 3.31Å; V1888-Q1892 PolarHBondContact O-N 3.18Å; K1889-Q1892 CarbonylContact O-C 3.51Å; K1889-Q1892 WeakPolarHBondContact O-CA 3.39Å; K1889-Q1892 WeakPolarHBondContact O-CB 3.23Å; K1889-Q1892 PolarHBondContact O-N 3.33Å; Y1890-Q1892 PolarHBondContact O-N 3.1Å |
| 1893 | T | 81.2 | Confident | 84 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -98.9 | -27.4 | -171 | 67.1 | 0 | 0 | 0 | 0 | 114.1 | K1889 Y1890 C1895 E1898 | K1889-T1893 WeakPolarHBondContact O-CG2 3.45Å; K1889-T1893 PolarHBondContact O-N 3.32Å; K1889-T1893 PolarHBondContact O-OG1 3.28Å; K1889-T1893 VanDerWaalsContact O-OG1 3.13Å; Y1890-T1893 PolarHBondContact O-N 3.09Å; T1893-C1895 PolarHBondContact O-N 2.72Å; T1893-C1895 PolarHBondContact OG1-N 3.47Å; T1893-E1898 PolarHBondContact OG1-OE2 3.03Å |
| 1894 | G | 78.7 | Confident | 84 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 53% | 0.526 | 35% | 0.349 | S | S | . | . | trans | 67.8 | 8.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y1890 N1896 | Y1890-G1894 WeakPolarHBondContact O-CA 3.37Å; Y1890-G1894 PolarHBondContact O-N 3.3Å; G1894-N1896 PolarHBondContact O-N 3.38Å | ||
| 1895 | C | 79 | Confident | 84.1 | Confident | 60 Ų | 60 | 69.3 Ų | 69.3 | 41% | 0.405 | 35% | 0.352 | S | S | . | . | trans | -87.7 | 111.1 | -170.9 | -167 | 0 | 0 | 0 | 0 | 112.8 | Y1890 T1893 R1897 E1898 | Y1890-C1895 WeakPolarHBondContact CD2-O 3.45Å; T1893-C1895 PolarHBondContact O-N 2.72Å; T1893-C1895 PolarHBondContact OG1-N 3.47Å; C1895-R1897 PolarHBondContact O-N 3.46Å; C1895-E1898 PolarHBondContact O-N 2.84Å | ||
| 1896 | N | 79.2 | Confident | 84.3 | Confident | 97 Ų | 97 | 66 Ų | 66 | 52% | 0.519 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.1 | -24 | -176.5 | -79.8 | -13.5 | 0 | 0 | 0 | 115.2 | Y1890 G1894 E1898 L1899 T1900 | Y1890-N1896 WeakPolarHBondContact CE2-OD1 3.4Å; Y1890-N1896 PolarHBondContact OH-OD1 3.44Å; G1894-N1896 PolarHBondContact O-N 3.38Å; N1896-E1898 VanDerWaalsContact C-N 3.29Å; N1896-E1898 PolarHBondContact O-N 3.28Å; N1896-L1899 PolarHBondContact O-N 3.22Å; N1896-T1900 PolarHBondContact O-N 2.83Å; N1896-T1900 PolarHBondContact O-OG1 2.99Å |
| 1897 | R | 79.5 | Confident | 84.4 | Confident | 205 Ų | 205 | 71.1 Ų | 71.1 | 77% | 0.774 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58.7 | -39.5 | 175.7 | -96.3 | -176.1 | 163.7 | -177.7 | -4.2 | 112.9 | C1895 L1899 T1900 Q1901 | C1895-R1897 PolarHBondContact O-N 3.46Å; R1897-L1899 VanDerWaalsContact C-N 3.32Å; R1897-T1900 PolarHBondContact O-N 3.35Å; R1897-Q1901 PolarHBondContact O-N 3.04Å; R1897-Q1901 VanDerWaalsContact O-N 3.12Å |
| 1898 | E | 82.6 | Confident | 84.7 | Confident | 45 Ų | 45 | 75.4 Ų | 75.4 | 21% | 0.21 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69 | -36.9 | -179.6 | -61.2 | -179.3 | 160.4 | 0 | 0 | 110.6 | K1889 Y1890 T1893 C1895 N1896 Q1901 A1902 | K1889-E1898 WeakPolarHBondContact CB-OE2 3.46Å; Y1890-E1898 PolarHBondContact N-OE2 2.78Å; T1893-E1898 PolarHBondContact OG1-OE2 3.03Å; C1895-E1898 PolarHBondContact O-N 2.84Å; N1896-E1898 VanDerWaalsContact C-N 3.29Å; N1896-E1898 PolarHBondContact O-N 3.28Å; E1898-Q1901 PolarHBondContact O-N 3.45Å; E1898-A1902 PolarHBondContact O-N 3.26Å |
| 1899 | L | 84.3 | Confident | 85 | Confident | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.4 | -37 | 176 | -165.7 | 67.6 | 0 | 0 | 0 | 112.3 | Y1840 L1846 M1849 F1850 Y1890 N1896 R1897 A1902 W1903 | Y1840-L1899 HydrophobicContact CD2-CD2 4.41Å; Y1840-L1899 HydrophobicContact CE2-CD2 3.48Å; Y1840-L1899 VanDerWaalsContact CE2-CD2 3.48Å; Y1840-L1899 HydrophobicContact CE2-CG 4.45Å; L1846-L1899 HydrophobicContact CD2-CD2 3.4Å; L1846-L1899 VanDerWaalsContact CD2-CD2 3.4Å; M1849-L1899 HydrophobicContact CE-CD1 4.15Å; F1850-L1899 HydrophobicContact CZ-CD1 4.25Å; Y1890-L1899 HydrophobicContact CD1-CD1 4.25Å; Y1890-L1899 HydrophobicContact CD2-CB 3.85Å; Y1890-L1899 HydrophobicContact CE1-CD2 4.14Å; Y1890-L1899 HydrophobicContact CE2-CB 4.14Å; Y1890-L1899 HydrophobicContact CE2-CD2 4.25Å; Y1890-L1899 HydrophobicContact CG-CB 4.11Å; Y1890-L1899 HydrophobicContact CG-CD1 4.32Å; N1896-L1899 PolarHBondContact O-N 3.22Å; R1897-L1899 VanDerWaalsContact C-N 3.32Å; L1899-A1902 PolarHBondContact O-N 3.11Å; L1899-W1903 PolarHBondContact O-N 3.44Å |
| 1900 | T | 84.1 | Confident | 85.4 | Confident | 73 Ų | 73 | 69.5 Ų | 69.5 | 45% | 0.448 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 172.9 | -48.3 | 0 | 0 | 0 | 0 | 111.3 | N1896 R1897 A1902 W1903 D1904 | N1896-T1900 PolarHBondContact O-N 2.83Å; N1896-T1900 PolarHBondContact O-OG1 2.99Å; R1897-T1900 PolarHBondContact O-N 3.35Å; T1900-A1902 PolarHBondContact O-N 3.11Å; T1900-W1903 WeakPolarHBondContact O-CB 3.38Å; T1900-W1903 PolarHBondContact O-N 3.14Å; T1900-D1904 PolarHBondContact O-N 3.26Å |
| 1901 | Q | 85.4 | Confident | 85.6 | Confident | 109 Ų | 109 | 75.6 Ų | 75.6 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 176 | -73.5 | -179.4 | -12.2 | 0 | 0 | 112.5 | L1886 R1897 E1898 W1903 D1904 L1905 | L1886-Q1901 HydrophobicContact CD1-CB 3.89Å; R1897-Q1901 PolarHBondContact O-N 3.04Å; R1897-Q1901 VanDerWaalsContact O-N 3.12Å; E1898-Q1901 PolarHBondContact O-N 3.45Å; Q1901-W1903 VanDerWaalsContact C-N 3.28Å; Q1901-W1903 PolarHBondContact O-N 3.18Å; Q1901-D1904 PolarHBondContact O-N 2.97Å; Q1901-L1905 PolarHBondContact O-N 2.73Å |
| 1902 | A | 87.3 | Confident | 86 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1886 E1898 L1899 T1900 L1905 Y1906 | L1886-A1902 HydrophobicContact CB-CB 3.9Å; L1886-A1902 HydrophobicContact CD1-CB 4.48Å; E1898-A1902 PolarHBondContact O-N 3.26Å; L1899-A1902 PolarHBondContact O-N 3.11Å; T1900-A1902 PolarHBondContact O-N 3.11Å; A1902-L1905 PolarHBondContact O-N 2.93Å; A1902-Y1906 HydrophobicContact CB-CD2 4.49Å; A1902-Y1906 HydrophobicContact CB-CE2 4.25Å; A1902-Y1906 WeakPolarHBondContact O-CD2 3.35Å; A1902-Y1906 PolarHBondContact O-N 3.45Å |
| 1903 | W | 89.5 | Confident | 86.5 | Confident | 17 Ų | 17 | 66.9 Ų | 66.9 | 6% | 0.064 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 176.2 | -89.7 | 111.4 | 0 | 0 | 0 | 113.9 | A1836 Y1840 F1841 M1849 L1899 T1900 Q1901 L1905 Y1906 Y1907 | A1836-W1903 HydrophobicContact CB-CH2 4.14Å; Y1840-W1903 AromaticContact CD1-CD1 3.82Å; Y1840-W1903 HydrophobicContact CD1-CD2 4.43Å; Y1840-W1903 AromaticContact CD1-CE2 3.57Å; Y1840-W1903 AromaticContact CD1-CZ2 3.96Å; Y1840-W1903 HydrophobicContact CD1-CZ2 3.96Å; Y1840-W1903 AromaticContact CD1-NE1 3.11Å; Y1840-W1903 AromaticContact CE1-CD1 3.53Å; Y1840-W1903 HydrophobicContact CE1-CG 4.4Å; Y1840-W1903 AromaticContact CE1-NE1 3.29Å; Y1840-W1903 VanDerWaalsContact CE1-NE1 3.29Å; Y1840-W1903 HydrophobicContact CG-CZ2 4.07Å; Y1840-W1903 AromaticContact CG-NE1 3.54Å; Y1840-W1903 AromaticContact CZ-NE1 3.88Å; F1841-W1903 AromaticContact CE2-CD2 3.94Å; F1841-W1903 HydrophobicContact CE2-CD2 3.94Å; F1841-W1903 HydrophobicContact CE2-CE3 4Å; F1841-W1903 HydrophobicContact CE2-CG 4.49Å; F1841-W1903 HydrophobicContact CE2-CH2 4.44Å; F1841-W1903 HydrophobicContact CE2-CZ2 4.33Å; F1841-W1903 HydrophobicContact CE2-CZ3 4.27Å; F1841-W1903 HydrophobicContact CZ-CD2 4.22Å; F1841-W1903 HydrophobicContact CZ-CG 4.32Å; M1849-W1903 HydrophobicContact CG-CZ2 3.98Å; M1849-W1903 HydrophobicContact SD-CZ2 3.7Å; L1899-W1903 PolarHBondContact O-N 3.44Å; T1900-W1903 WeakPolarHBondContact O-CB 3.38Å; T1900-W1903 PolarHBondContact O-N 3.14Å; Q1901-W1903 VanDerWaalsContact C-N 3.28Å; Q1901-W1903 PolarHBondContact O-N 3.18Å; W1903-L1905 VanDerWaalsContact C-N 3.3Å; W1903-L1905 PolarHBondContact O-N 3.45Å; W1903-Y1906 HydrophobicContact CE3-CD2 4.46Å; W1903-Y1906 PolarHBondContact O-N 3.18Å; W1903-Y1907 WeakPolarHBondContact O-CB 3.44Å; W1903-Y1907 PolarHBondContact O-N 3.27Å |
| 1904 | D | 89 | Confident | 86.8 | Confident | 108 Ų | 108 | 65 Ų | 65 | 58% | 0.578 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.3 | -42.2 | 174.1 | -72.5 | -28.9 | 0 | 0 | 0 | 111.2 | T1900 Q1901 H1908 | T1900-D1904 PolarHBondContact O-N 3.26Å; Q1901-D1904 PolarHBondContact O-N 2.97Å; D1904-H1908 WeakPolarHBondContact O-CB 3.29Å; D1904-H1908 PolarHBondContact O-N 2.99Å |
| 1905 | L | 90.6 | Very high | 87.3 | Confident | 37 Ų | 37 | 70.2 Ų | 70.2 | 19% | 0.194 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.7 | -47.3 | 176 | -67.5 | 175.1 | 0 | 0 | 0 | 111.9 | E1882 A1883 L1886 Q1901 A1902 W1903 Y1907 H1908 V1909 | E1882-L1905 HydrophobicContact CB-CD1 3.96Å; E1882-L1905 HydrophobicContact CG-CD1 3.83Å; A1883-L1905 HydrophobicContact CB-CB 3.93Å; A1883-L1905 HydrophobicContact CB-CD1 4.15Å; L1886-L1905 HydrophobicContact CD1-CD1 3.99Å; Q1901-L1905 PolarHBondContact O-N 2.73Å; A1902-L1905 PolarHBondContact O-N 2.93Å; W1903-L1905 VanDerWaalsContact C-N 3.3Å; W1903-L1905 PolarHBondContact O-N 3.45Å; L1905-Y1907 VanDerWaalsContact C-N 3.31Å; L1905-Y1907 PolarHBondContact O-N 3.25Å; L1905-H1908 WeakPolarHBondContact O-CB 3.46Å; L1905-H1908 PolarHBondContact O-N 3.2Å; L1905-V1909 WeakPolarHBondContact O-CG2 3.25Å; L1905-V1909 PolarHBondContact O-N 2.84Å |
| 1906 | Y | 92.3 | Very high | 87.6 | Confident | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.1 | -43.8 | 175.9 | -76.6 | -43.5 | 0 | 0 | 0 | 112 | W1829 L1833 L1853 H1857 L1880 A1883 A1902 W1903 V1909 F1910 | W1829-Y1906 HydrophobicContact CZ3-CE1 4.28Å; L1833-Y1906 HydrophobicContact CD2-CD1 3.43Å; L1833-Y1906 VanDerWaalsContact CD2-CD1 3.43Å; L1833-Y1906 HydrophobicContact CD2-CE1 4.15Å; L1833-Y1906 HydrophobicContact CD2-CG 3.73Å; L1853-Y1906 HydrophobicContact CD1-CD2 4.46Å; L1853-Y1906 HydrophobicContact CD1-CE2 3.84Å; H1857-Y1906 AromaticContact NE2-CE1 3.83Å; H1857-Y1906 AromaticContact NE2-CZ 3.76Å; H1857-Y1906 PolarHBondContact NE2-OH 3.15Å; L1880-Y1906 HydrophobicContact CD2-CD1 4.09Å; L1880-Y1906 HydrophobicContact CD2-CE1 4.16Å; A1883-Y1906 HydrophobicContact CB-CD1 3.96Å; A1883-Y1906 HydrophobicContact CB-CD2 4.35Å; A1883-Y1906 HydrophobicContact CB-CE1 3.63Å; A1883-Y1906 HydrophobicContact CB-CE2 4.03Å; A1883-Y1906 HydrophobicContact CB-CG 4.31Å; A1902-Y1906 HydrophobicContact CB-CD2 4.49Å; A1902-Y1906 HydrophobicContact CB-CE2 4.25Å; A1902-Y1906 WeakPolarHBondContact O-CD2 3.35Å; A1902-Y1906 PolarHBondContact O-N 3.45Å; W1903-Y1906 HydrophobicContact CE3-CD2 4.46Å; W1903-Y1906 PolarHBondContact O-N 3.18Å; Y1906-V1909 PolarHBondContact O-N 3.3Å; Y1906-F1910 VanDerWaalsContact O-CB 3.28Å; Y1906-F1910 WeakPolarHBondContact O-CB 3.32Å; Y1906-F1910 PolarHBondContact O-N 3.39Å |
| 1907 | Y | 89.5 | Confident | 87.8 | Confident | 127 Ų | 127 | 67 Ų | 67 | 50% | 0.498 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.5 | -35.1 | 178.5 | -166.4 | -103.5 | 0 | 0 | 0 | 112.2 | W1903 L1905 R1911 | W1903-Y1907 WeakPolarHBondContact O-CB 3.44Å; W1903-Y1907 PolarHBondContact O-N 3.27Å; L1905-Y1907 VanDerWaalsContact C-N 3.31Å; L1905-Y1907 PolarHBondContact O-N 3.25Å; Y1907-R1911 HydrophobicContact CE1-CG 4.39Å; Y1907-R1911 WeakPolarHBondContact O-CB 3.14Å; Y1907-R1911 PolarHBondContact O-N 3.35Å |
| 1908 | H | 91.1 | Very high | 88 | Confident | 97 Ų | 97 | 61.1 Ų | 61.1 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61 | -49.1 | 172.7 | -176.2 | 72.4 | 0 | 0 | 0 | 111.7 | D1879 D1904 L1905 R1911 R1912 | D1879-H1908 IonicContact OD2-CD2 3.98Å; D1904-H1908 WeakPolarHBondContact O-CB 3.29Å; D1904-H1908 PolarHBondContact O-N 2.99Å; L1905-H1908 WeakPolarHBondContact O-CB 3.46Å; L1905-H1908 PolarHBondContact O-N 3.2Å; H1908-R1911 PolarHBondContact O-N 3.01Å; H1908-R1912 WeakPolarHBondContact NE2-CD 3.12Å; H1908-R1912 WeakPolarHBondContact O-CG 3.33Å; H1908-R1912 PolarHBondContact O-N 2.7Å; H1908-R1912 VanDerWaalsContact O-N 3.16Å |
| 1909 | V | 90.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 177.4 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | Y1876 D1879 L1880 L1905 Y1906 R1911 R1912 I1913 | Y1876-V1909 HydrophobicContact CD1-CG1 3.95Å; Y1876-V1909 HydrophobicContact CG-CG1 4.28Å; D1879-V1909 HydrophobicContact CB-CG2 3.71Å; L1880-V1909 HydrophobicContact CD2-CB 4.37Å; L1880-V1909 HydrophobicContact CD2-CG1 4.08Å; L1880-V1909 HydrophobicContact CD2-CG2 4.22Å; L1880-V1909 HydrophobicContact CG-CG1 4.39Å; L1880-V1909 HydrophobicContact CG-CG2 4.39Å; L1905-V1909 WeakPolarHBondContact O-CG2 3.25Å; L1905-V1909 PolarHBondContact O-N 2.84Å; Y1906-V1909 PolarHBondContact O-N 3.3Å; V1909-R1911 PolarHBondContact O-N 3.43Å; V1909-R1912 PolarHBondContact O-N 3.06Å; V1909-R1912 VanDerWaalsContact O-N 3.11Å; V1909-I1913 HydrophobicContact CG1-CD1 3.65Å; V1909-I1913 HydrophobicContact CG1-CG1 4.26Å; V1909-I1913 WeakPolarHBondContact O-CG1 3.25Å; V1909-I1913 PolarHBondContact O-N 2.91Å |
| 1910 | F | 91.4 | Very high | 88.1 | Confident | 45 Ų | 45 | 67.3 Ų | 67.3 | 20% | 0.197 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -52.4 | -51.9 | 176.1 | -178.5 | -102.3 | 0 | 0 | 0 | 111.4 | H1830 L1833 E1834 Y1906 R1912 I1913 S1914 | H1830-F1910 AromaticContact CD2-CE2 3.65Å; H1830-F1910 AromaticContact CE1-CE2 3.75Å; H1830-F1910 AromaticContact CE1-CZ 3.95Å; H1830-F1910 AromaticContact CG-CE2 3.97Å; H1830-F1910 AromaticContact NE2-CE2 3.55Å; H1830-F1910 AromaticContact NE2-CZ 3.67Å; L1833-F1910 HydrophobicContact CB-CD2 3.95Å; L1833-F1910 HydrophobicContact CD1-CB 4.09Å; L1833-F1910 HydrophobicContact CD1-CD2 4.48Å; E1834-F1910 HydrophobicContact CB-CE2 4.17Å; Y1906-F1910 VanDerWaalsContact O-CB 3.28Å; Y1906-F1910 WeakPolarHBondContact O-CB 3.32Å; Y1906-F1910 PolarHBondContact O-N 3.39Å; F1910-R1912 VanDerWaalsContact C-N 3.32Å; F1910-R1912 PolarHBondContact O-N 2.91Å; F1910-I1913 PolarHBondContact O-N 3.21Å; F1910-S1914 PolarHBondContact O-N 3Å; F1910-S1914 PolarHBondContact O-OG 3.44Å |
| 1911 | R | 89.7 | Confident | 88.1 | Confident | 156 Ų | 156 | 68.1 Ų | 68.1 | 59% | 0.589 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58.9 | -39.3 | 177.6 | -101.9 | -173.7 | 168.3 | -170.5 | -1.5 | 113.7 | Y1907 H1908 V1909 K1915 | Y1907-R1911 HydrophobicContact CE1-CG 4.39Å; Y1907-R1911 WeakPolarHBondContact O-CB 3.14Å; Y1907-R1911 PolarHBondContact O-N 3.35Å; H1908-R1911 PolarHBondContact O-N 3.01Å; V1909-R1911 PolarHBondContact O-N 3.43Å; R1911-K1915 WeakPolarHBondContact O-CG 3.46Å; R1911-K1915 PolarHBondContact O-N 3.34Å |
| 1912 | R | 91.6 | Very high | 88.2 | Confident | 93 Ų | 93 | 67.5 Ų | 67.5 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 178.6 | -74 | -179.9 | 66 | -158.8 | -3 | 110.8 | A1875 Y1876 D1879 H1908 V1909 F1910 K1915 Q1916 | A1875-R1912 PolarHBondContact O-NH1 3.43Å; Y1876-R1912 HydrophobicContact CE1-CB 4Å; D1879-R1912 IonicContact OD2-NH1 3.86Å; H1908-R1912 WeakPolarHBondContact NE2-CD 3.12Å; H1908-R1912 WeakPolarHBondContact O-CG 3.33Å; H1908-R1912 PolarHBondContact O-N 2.7Å; H1908-R1912 VanDerWaalsContact O-N 3.16Å; V1909-R1912 PolarHBondContact O-N 3.06Å; V1909-R1912 VanDerWaalsContact O-N 3.11Å; F1910-R1912 VanDerWaalsContact C-N 3.32Å; F1910-R1912 PolarHBondContact O-N 2.91Å; R1912-K1915 PolarHBondContact O-N 3.41Å; R1912-Q1916 PolarHBondContact O-N 3.34Å |
| 1913 | I | 89.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 177.5 | -66.8 | 174.2 | 0 | 0 | 0 | 110.8 | H1826 W1829 H1830 F1872 Y1876 V1909 F1910 K1915 Q1916 L1917 | H1826-I1913 HydrophobicContact CB-CG2 4.33Å; H1826-I1913 VanDerWaalsContact O-CG2 3.25Å; H1826-I1913 WeakPolarHBondContact O-CG2 3.38Å; W1829-I1913 HydrophobicContact CB-CD1 3.99Å; H1830-I1913 HydrophobicContact CB-CG2 3.95Å; F1872-I1913 HydrophobicContact CE2-CD1 3.94Å; F1872-I1913 HydrophobicContact CZ-CD1 4.3Å; Y1876-I1913 HydrophobicContact CE1-CG1 4.32Å; Y1876-I1913 HydrophobicContact CE2-CG1 4.46Å; V1909-I1913 HydrophobicContact CG1-CD1 3.65Å; V1909-I1913 HydrophobicContact CG1-CG1 4.26Å; V1909-I1913 WeakPolarHBondContact O-CG1 3.25Å; V1909-I1913 PolarHBondContact O-N 2.91Å; F1910-I1913 PolarHBondContact O-N 3.21Å; I1913-K1915 PolarHBondContact O-N 3.31Å; I1913-K1915 VanDerWaalsContact O-N 3.15Å; I1913-Q1916 PolarHBondContact O-N 3.07Å; I1913-L1917 HydrophobicContact CG2-CD1 3.82Å; I1913-L1917 HydrophobicContact CG2-CG 4.03Å; I1913-L1917 WeakPolarHBondContact O-CG 3.5Å; I1913-L1917 PolarHBondContact O-N 3.22Å |
| 1914 | S | 88.3 | Confident | 88 | Confident | 40 Ų | 40 | 70 Ų | 70 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.3 | -29.2 | 179.3 | -52 | 0 | 0 | 0 | 0 | 113 | H1830 F1910 P1918 | H1830-S1914 PolarHBondContact CD2-OG 3.46Å; H1830-S1914 VanDerWaalsContact CD2-OG 3.27Å; H1830-S1914 PolarHBondContact NE2-OG 3.46Å; F1910-S1914 PolarHBondContact O-N 3Å; F1910-S1914 PolarHBondContact O-OG 3.44Å; S1914-P1918 WeakPolarHBondContact O-CD 3.47Å |
| 1915 | K | 88.2 | Confident | 87.7 | Confident | 161 Ų | 161 | 64.9 Ų | 64.9 | 70% | 0.7 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -75.4 | -32.3 | 173.4 | -74.8 | -177.4 | -179 | -175.6 | 0 | 113.7 | R1911 R1912 I1913 | R1911-K1915 WeakPolarHBondContact O-CG 3.46Å; R1911-K1915 PolarHBondContact O-N 3.34Å; R1912-K1915 PolarHBondContact O-N 3.41Å; I1913-K1915 PolarHBondContact O-N 3.31Å; I1913-K1915 VanDerWaalsContact O-N 3.15Å |
| 1916 | Q | 85.5 | Confident | 87.5 | Confident | 82 Ų | 82 | 67.9 Ų | 67.9 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -80.7 | -36.3 | -179.2 | -87 | -170.9 | -16.6 | 0 | 0 | 113.1 | Y1876 R1912 I1913 L1919 | Y1876-Q1916 PolarHBondContact OH-OE1 2.76Å; R1912-Q1916 PolarHBondContact O-N 3.34Å; I1913-Q1916 PolarHBondContact O-N 3.07Å; Q1916-L1919 WeakPolarHBondContact O-CB 3.45Å; Q1916-L1919 PolarHBondContact O-N 3.39Å |
| 1917 | L | 84 | Confident | 87.1 | Confident | 7 Ų | 7 | 72.9 Ų | 72.9 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -53.3 | -45.4 | -174.7 | -75.6 | 168.7 | 0 | 0 | 0 | 113.6 | H1826 E1827 H1830 I1913 L1919 L1920 R1970 | H1826-L1917 HydrophobicContact CB-CD2 4.35Å; E1827-L1917 HydrophobicContact CG-CD2 3.75Å; H1830-L1917 HydrophobicContact CB-CD1 3.99Å; I1913-L1917 HydrophobicContact CG2-CD1 3.82Å; I1913-L1917 HydrophobicContact CG2-CG 4.03Å; I1913-L1917 WeakPolarHBondContact O-CG 3.5Å; I1913-L1917 PolarHBondContact O-N 3.22Å; L1917-L1919 PolarHBondContact O-N 3.21Å; L1917-L1920 HydrophobicContact CD2-CD1 4.43Å; L1917-L1920 PolarHBondContact O-N 3.23Å; L1917-R1970 PolarHBondContact O-NH1 3.15Å |
| 1918 | P | 83.1 | Confident | 86.9 | Confident | 82 Ų | 82 | 67 Ų | 67 | 53% | 0.532 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -62.9 | -22.5 | 178.1 | -22.2 | 33.7 | 0 | 0 | 0 | 115 | S1914 | S1914-P1918 WeakPolarHBondContact O-CD 3.47Š|
| 1919 | L | 86.5 | Confident | 86.6 | Confident | 140 Ų | 140 | 62.4 Ų | 62.4 | 73% | 0.733 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -82.5 | -13.2 | -179.4 | -62.1 | 169.7 | 0 | 0 | 0 | 112.8 | Q1916 L1917 T1921 | Q1916-L1919 WeakPolarHBondContact O-CB 3.45Å; Q1916-L1919 PolarHBondContact O-N 3.39Å; L1917-L1919 PolarHBondContact O-N 3.21Å; L1919-T1921 PolarHBondContact O-N 2.95Å; L1919-T1921 VanDerWaalsContact O-N 3.09Å |
| 1920 | L | 83.1 | Confident | 86.3 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 18% | 0.183 | 32% | 0.321 | C | S | . | . | trans | -83.5 | 74.9 | 178.9 | -65.8 | 171.5 | 0 | 0 | 0 | 110.8 | L1917 V1964 | L1917-L1920 HydrophobicContact CD2-CD1 4.43Å; L1917-L1920 PolarHBondContact O-N 3.23Å; L1920-V1964 WeakPolarHBondContact O-CB 3.44Å | ||
| 1921 | T | 84.7 | Confident | 85.8 | Confident | 91 Ų | 91 | 68.5 Ų | 68.5 | 56% | 0.558 | 34% | 0.337 | S | S | * | . | trans | -86.3 | -27 | 178.9 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | L1919 V1964 | L1919-T1921 PolarHBondContact O-N 2.95Å; L1919-T1921 VanDerWaalsContact O-N 3.09Å; T1921-V1964 PolarHBondContact O-N 3.18Å | ||
| 1922 | T | 86.2 | Confident | 85.3 | Confident | 95 Ų | 95 | 61.6 Ų | 61.6 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 145.4 | 176.8 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | L1962 | T1922-L1962 CarbonylContact C-O 3.44Å; T1922-L1962 WeakPolarHBondContact CA-O 3.3Å |
| 1923 | L | 85.4 | Confident | 84.9 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.8 | 176.1 | -63.9 | 170.6 | 0 | 0 | 0 | 109 | L1824 V1928 L1962 V1964 R1972 | L1824-L1923 HydrophobicContact CD1-CD1 4.12Å; L1824-L1923 HydrophobicContact CD1-CD2 4.03Å; L1923-V1928 HydrophobicContact CB-CG2 4.48Å; L1923-V1928 HydrophobicContact CD2-CG2 4.43Å; L1923-L1962 HydrophobicContact CB-CB 4.23Å; L1923-L1962 PolarHBondContact N-O 3.09Å; L1923-L1962 PolarHBondContact O-N 3.43Å; L1923-V1964 HydrophobicContact CD1-CG2 3.74Å; L1923-V1964 HydrophobicContact CG-CG2 3.75Å; L1923-R1972 HydrophobicContact CD1-CG 3.99Å |
| 1924 | D | 87.1 | Confident | 84.4 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 126.1 | 176.4 | -173.9 | -19.8 | 0 | 0 | 0 | 109.3 | Q1926 Y1927 V1928 T1960 | D1924-Q1926 PolarHBondContact O-N 3.34Å; D1924-Q1926 VanDerWaalsContact O-N 3.14Å; D1924-Q1926 PolarHBondContact OD1-N 2.96Å; D1924-Q1926 VanDerWaalsContact OD1-N 3.14Å; D1924-Y1927 HydrophobicContact CB-CD2 3.87Å; D1924-Y1927 HydrophobicContact CB-CE2 4.1Å; D1924-Y1927 PolarHBondContact O-N 2.98Å; D1924-Y1927 VanDerWaalsContact O-N 3.11Å; D1924-V1928 PolarHBondContact O-N 2.88Å; D1924-T1960 WeakPolarHBondContact CA-O 3.47Å |
| 1925 | L | 84.5 | Confident | 83.8 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.7 | -30 | -177.6 | -96.4 | 76.9 | 0 | 0 | 0 | 112.5 | Y1927 V1928 A1929 L1932 L1933 V1958 R1959 T1960 L1962 | L1925-Y1927 PolarHBondContact O-N 3.38Å; L1925-V1928 PolarHBondContact O-N 2.96Å; L1925-A1929 CarbonylContact O-C 3.58Å; L1925-A1929 PolarHBondContact O-N 3.33Å; L1925-L1932 HydrophobicContact CD2-CB 4.2Å; L1925-L1932 HydrophobicContact CD2-CD2 3.58Å; L1925-L1933 HydrophobicContact CB-CB 4.47Å; L1925-V1958 HydrophobicContact CD2-CB 4.45Å; L1925-V1958 HydrophobicContact CD2-CG1 4.19Å; L1925-R1959 WeakPolarHBondContact CD1-O 3.05Å; L1925-T1960 WeakPolarHBondContact CD1-O 3.46Å; L1925-T1960 PolarHBondContact N-O 2.96Å; L1925-L1962 HydrophobicContact CD1-CD1 3.45Å; L1925-L1962 VanDerWaalsContact CD1-CD1 3.45Å; L1925-L1962 HydrophobicContact CD1-CD2 3.91Å; L1925-L1962 HydrophobicContact CD1-CG 3.4Å; L1925-L1962 VanDerWaalsContact CD1-CG 3.4Å; L1925-L1962 HydrophobicContact CG-CD1 4.49Å |
| 1926 | Q | 85.3 | Confident | 83.4 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 47% | 0.467 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.5 | -36.5 | 179.8 | -177.1 | 178.1 | -2.5 | 0 | 0 | 112.1 | D1924 L1933 | D1924-Q1926 PolarHBondContact O-N 3.34Å; D1924-Q1926 VanDerWaalsContact O-N 3.14Å; D1924-Q1926 PolarHBondContact OD1-N 2.96Å; D1924-Q1926 VanDerWaalsContact OD1-N 3.14Å; Q1926-L1933 HydrophobicContact CB-CD2 4.42Å |
| 1927 | Y | 85.1 | Confident | 83.2 | Confident | 108 Ų | 108 | 67.6 Ų | 67.6 | 42% | 0.424 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -89.4 | -27.8 | -178.2 | -54.7 | -64.5 | 0 | 0 | 0 | 113.2 | I1867 K1868 D1924 L1925 | I1867-Y1927 HydrophobicContact CB-CD1 4.31Å; I1867-Y1927 HydrophobicContact CD1-CD1 4.25Å; I1867-Y1927 HydrophobicContact CG2-CD1 3.99Å; I1867-Y1927 PolarHBondContact N-O 2.99Å; K1868-Y1927 WeakPolarHBondContact CB-O 3.42Å; K1868-Y1927 PolarHBondContact N-O 3.06Å; D1924-Y1927 HydrophobicContact CB-CD2 3.87Å; D1924-Y1927 HydrophobicContact CB-CE2 4.1Å; D1924-Y1927 PolarHBondContact O-N 2.98Å; D1924-Y1927 VanDerWaalsContact O-N 3.11Å; L1925-Y1927 PolarHBondContact O-N 3.38Å |
| 1928 | V | 84.6 | Confident | 82.7 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.03 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -101.2 | -41 | -170.4 | -175.3 | 0 | 0 | 0 | 0 | 113 | V1821 L1824 T1866 K1868 L1923 D1924 L1925 | V1821-V1928 HydrophobicContact CG2-CG1 4.11Å; L1824-V1928 HydrophobicContact CD2-CG1 3.86Å; T1866-V1928 VanDerWaalsContact CG2-O 3.3Å; T1866-V1928 WeakPolarHBondContact CG2-O 3.02Å; K1868-V1928 HydrophobicContact CB-CG2 4.36Å; K1868-V1928 HydrophobicContact CG-CG2 4.48Å; L1923-V1928 HydrophobicContact CB-CG2 4.48Å; L1923-V1928 HydrophobicContact CD2-CG2 4.43Å; D1924-V1928 PolarHBondContact O-N 2.88Å; L1925-V1928 PolarHBondContact O-N 2.96Å |
| 1929 | A | 84.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.365 | C | S | . | . | trans | -151 | 74.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1821 L1925 K1931 L1932 L1933 | V1821-A1929 HydrophobicContact CG2-CB 3.48Å; V1821-A1929 VanDerWaalsContact CG2-CB 3.48Å; L1925-A1929 CarbonylContact O-C 3.58Å; L1925-A1929 PolarHBondContact O-N 3.33Å; A1929-K1931 PolarHBondContact O-N 3.49Å; A1929-L1932 HydrophobicContact CB-CB 4.16Å; A1929-L1932 PolarHBondContact O-N 3.19Å; A1929-L1932 VanDerWaalsContact O-N 3.14Å; A1929-L1933 PolarHBondContact O-N 3.21Å | ||
| 1930 | P | 83.2 | Confident | 81.6 | Confident | 50 Ų | 50 | 66.7 Ų | 66.7 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.4 | -26.4 | -175.6 | 25.1 | -34.3 | 0 | 0 | 0 | 113.4 | L1932 L1933 L1934 | P1930-L1932 VanDerWaalsContact C-N 3.34Å; P1930-L1933 WeakPolarHBondContact O-CB 3.48Å; P1930-L1933 PolarHBondContact O-N 2.77Å; P1930-L1934 WeakPolarHBondContact O-CG 3.4Å; P1930-L1934 PolarHBondContact O-N 2.9Å |
| 1931 | K | 81.1 | Confident | 81.1 | Confident | 122 Ų | 122 | 66.1 Ų | 66.1 | 53% | 0.53 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 175.6 | -66 | -168.9 | -155.5 | 144.3 | 0 | 112.3 | E1817 A1929 L1933 L1934 C1935 | E1817-K1931 HydrophobicContact CG-CB 4.19Å; E1817-K1931 HydrophobicContact CG-CD 4.46Å; E1817-K1931 WeakPolarHBondContact OE1-CD 3.26Å; E1817-K1931 WeakPolarHBondContact OE1-CE 3.36Å; E1817-K1931 IonicContact OE1-NZ 3.4Å; E1817-K1931 PolarHBondContact OE1-NZ 3.37Å; A1929-K1931 PolarHBondContact O-N 3.49Å; K1931-L1933 VanDerWaalsContact C-N 3.28Å; K1931-L1933 PolarHBondContact O-N 3.22Å; K1931-L1934 PolarHBondContact O-N 3.25Å; K1931-C1935 PolarHBondContact O-N 3.33Å; K1931-C1935 PolarHBondContact O-SG 3.5Å |
| 1932 | L | 80.9 | Confident | 80.8 | Confident | 12 Ų | 12 | 61.9 Ų | 61.9 | 6% | 0.063 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.9 | -31.2 | -179.6 | -152.3 | 120.5 | 0 | 0 | 0 | 111.2 | E1817 L1818 L1925 A1929 P1930 C1935 V1958 | E1817-L1932 HydrophobicContact CB-CD1 3.69Å; L1818-L1932 HydrophobicContact CD2-CD1 4.01Å; L1818-L1932 HydrophobicContact CD2-CD2 4.48Å; L1818-L1932 HydrophobicContact CG-CD1 3.94Å; L1925-L1932 HydrophobicContact CD2-CB 4.2Å; L1925-L1932 HydrophobicContact CD2-CD2 3.58Å; A1929-L1932 HydrophobicContact CB-CB 4.16Å; A1929-L1932 PolarHBondContact O-N 3.19Å; A1929-L1932 VanDerWaalsContact O-N 3.14Å; P1930-L1932 VanDerWaalsContact C-N 3.34Å; L1932-C1935 PolarHBondContact O-N 3.11Å; L1932-V1958 HydrophobicContact CD2-CB 3.77Å; L1932-V1958 HydrophobicContact CD2-CG1 3.68Å; L1932-V1958 HydrophobicContact CD2-CG2 3.74Å |
| 1933 | L | 81.3 | Confident | 80.1 | Confident | 61 Ų | 61 | 58.3 Ų | 58.3 | 32% | 0.319 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.6 | -35.1 | 172 | -177.3 | 64 | 0 | 0 | 0 | 112.9 | L1925 Q1926 A1929 P1930 K1931 C1935 T1960 | L1925-L1933 HydrophobicContact CB-CB 4.47Å; Q1926-L1933 HydrophobicContact CB-CD2 4.42Å; A1929-L1933 PolarHBondContact O-N 3.21Å; P1930-L1933 WeakPolarHBondContact O-CB 3.48Å; P1930-L1933 PolarHBondContact O-N 2.77Å; K1931-L1933 VanDerWaalsContact C-N 3.28Å; K1931-L1933 PolarHBondContact O-N 3.22Å; L1933-C1935 VanDerWaalsContact C-N 3.27Å; L1933-C1935 PolarHBondContact O-N 3.05Å; L1933-T1960 HydrophobicContact CD1-CG2 3.39Å |
| 1934 | L | 80.7 | Confident | 79.4 | Confident | 143 Ų | 143 | 60.5 Ų | 60.5 | 75% | 0.749 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -73.5 | -17.6 | 177.8 | -70.4 | 167.8 | 0 | 0 | 0 | 113 | P1930 K1931 Q1936 | P1930-L1934 WeakPolarHBondContact O-CG 3.4Å; P1930-L1934 PolarHBondContact O-N 2.9Å; K1931-L1934 PolarHBondContact O-N 3.25Å; L1934-Q1936 PolarHBondContact O-N 3.4Å |
| 1935 | C | 75 | Confident | 78.9 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 30% | 0.304 | 32% | 0.315 | S | S | . | . | trans | -78.6 | 100.4 | -178.3 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | K1931 L1932 L1933 L1938 | K1931-C1935 PolarHBondContact O-N 3.33Å; K1931-C1935 PolarHBondContact O-SG 3.5Å; L1932-C1935 PolarHBondContact O-N 3.11Å; L1933-C1935 VanDerWaalsContact C-N 3.27Å; L1933-C1935 PolarHBondContact O-N 3.05Å; C1935-L1938 HydrophobicContact CB-CD1 3.91Å; C1935-L1938 HydrophobicContact CB-CD2 4.18Å; C1935-L1938 HydrophobicContact CB-CG 4.27Å | ||
| 1936 | Q | 78.8 | Confident | 78.2 | Confident | 139 Ų | 139 | 64.7 Ų | 64.7 | 65% | 0.65 | 34% | 0.336 | S | S | * | . | trans | -117.3 | 141.1 | 172.9 | -61.8 | -167.5 | 2 | 0 | 0 | 111 | L1934 Q1956 | L1934-Q1936 PolarHBondContact O-N 3.4Å; Q1936-Q1956 CarbonylContact C-O 3.52Å; Q1936-Q1956 WeakPolarHBondContact CA-O 3.22Å | ||
| 1937 | N | 81.1 | Confident | 77.2 | Confident | 114 Ų | 114 | 62.5 Ų | 62.5 | 61% | 0.61 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 52.6 | 55.3 | 178.3 | -55.2 | -46.4 | 0 | 0 | 0 | 113.7 | I1955 Q1956 | N1937-I1955 CarbonylContact C-O 3.49Å; N1937-I1955 WeakPolarHBondContact CA-O 3.41Å; N1937-Q1956 PolarHBondContact N-O 3.11Å; N1937-Q1956 WeakPolarHBondContact OD1-CG 3.36Å |
| 1938 | L | 74 | Confident | 76 | Confident | 38 Ų | 38 | 60 Ų | 60 | 20% | 0.199 | 33% | 0.325 | C | S | . | . | trans | -69 | 151.8 | 176.1 | -60.4 | 116.8 | 0 | 0 | 0 | 110.7 | V1814 C1935 L1940 R1954 I1955 | V1814-L1938 HydrophobicContact CG2-CD2 3.95Å; C1935-L1938 HydrophobicContact CB-CD1 3.91Å; C1935-L1938 HydrophobicContact CB-CD2 4.18Å; C1935-L1938 HydrophobicContact CB-CG 4.27Å; L1938-L1940 HydrophobicContact CB-CB 4.2Å; L1938-L1940 PolarHBondContact O-N 3.41Å; L1938-R1954 WeakPolarHBondContact O-CB 3.28Å; L1938-I1955 HydrophobicContact CB-CB 4.34Å; L1938-I1955 HydrophobicContact CD1-CB 3.7Å; L1938-I1955 HydrophobicContact CD1-CG2 3.49Å; L1938-I1955 VanDerWaalsContact CD1-CG2 3.49Å; L1938-I1955 PolarHBondContact N-O 2.86Å | ||
| 1939 | E | 72.9 | Confident | 74.8 | Confident | 121 Ų | 121 | 67.8 Ų | 67.8 | 57% | 0.565 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -72.8 | -18.9 | 168.9 | -69.5 | -170.9 | 146.9 | 0 | 0 | 112.6 | A1941 | E1939-A1941 PolarHBondContact O-N 3.35Š|
| 1940 | L | 73.2 | Confident | 74 | Confident | 50 Ų | 50 | 74.4 Ų | 74.4 | 26% | 0.262 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -60.8 | 131.2 | 178.5 | -169.9 | 69.4 | 0 | 0 | 0 | 111.2 | V1814 L1938 R1954 I1955 | V1814-L1940 HydrophobicContact CB-CD2 4.03Å; V1814-L1940 HydrophobicContact CG1-CD2 4.04Å; V1814-L1940 HydrophobicContact CG2-CD2 3.91Å; L1938-L1940 HydrophobicContact CB-CB 4.2Å; L1938-L1940 PolarHBondContact O-N 3.41Å; L1940-R1954 CarbonylContact O-C 3.57Å; L1940-R1954 WeakPolarHBondContact O-CA 3.49Å; L1940-I1955 HydrophobicContact CD2-CD1 4.05Å; L1940-I1955 HydrophobicContact CG-CD1 4.43Å; L1940-I1955 PolarHBondContact O-N 3.04Å |
| 1941 | A | 74.5 | Confident | 73.3 | Confident | 24 Ų | 24 | 77.8 Ų | 77.8 | 20% | 0.198 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -64.1 | 148.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1939 P1943 I1952 V1953 | E1939-A1941 PolarHBondContact O-N 3.35Å; A1941-P1943 WeakPolarHBondContact O-CD 3.33Å; A1941-I1952 HydrophobicContact CB-CG2 3.58Å; A1941-V1953 CarbonylContact C-O 3.57Å; A1941-V1953 WeakPolarHBondContact CA-O 3.41Å |
| 1942 | V | 76.4 | Confident | 73 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.006 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 126.6 | 170 | 177.7 | 0 | 0 | 0 | 0 | 108.3 | G1944 T1945 V1953 I1955 I1976 Y1984 F1986 | V1942-G1944 PolarHBondContact O-N 3.11Å; V1942-G1944 VanDerWaalsContact O-N 3.12Å; V1942-T1945 HydrophobicContact CB-CG2 3.89Å; V1942-T1945 HydrophobicContact CG1-CG2 3.92Å; V1942-T1945 PolarHBondContact O-N 3.14Å; V1942-T1945 VanDerWaalsContact O-N 3.08Å; V1942-T1945 PolarHBondContact O-OG1 2.66Å; V1942-V1953 HydrophobicContact CG2-CG1 3.94Å; V1942-V1953 PolarHBondContact N-O 3.48Å; V1942-I1955 HydrophobicContact CG2-CG1 4.01Å; V1942-I1976 HydrophobicContact CG1-CG2 4.39Å; V1942-I1976 HydrophobicContact CG2-CG2 4.27Å; V1942-Y1984 HydrophobicContact CG1-CD1 4.25Å; V1942-Y1984 HydrophobicContact CG1-CD2 3.9Å; V1942-Y1984 HydrophobicContact CG1-CG 3.73Å; V1942-Y1984 HydrophobicContact CG2-CD2 4.3Å; V1942-F1986 HydrophobicContact CG1-CE2 4.02Å; V1942-F1986 HydrophobicContact CG1-CZ 3.96Å |
| 1943 | P | 73.3 | Confident | 73 | Confident | 21 Ų | 21 | 76.5 Ų | 76.5 | 14% | 0.136 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -36.8 | 113.2 | 174.8 | -41.8 | 43.3 | 0 | 0 | 0 | 114.9 | A1941 I1976 F1986 I2030 L2038 | A1941-P1943 WeakPolarHBondContact O-CD 3.33Å; P1943-I1976 HydrophobicContact CG-CD1 4.33Å; P1943-F1986 HydrophobicContact CB-CE1 3.83Å; P1943-F1986 HydrophobicContact CB-CE2 4.43Å; P1943-F1986 HydrophobicContact CB-CZ 3.74Å; P1943-F1986 WeakPolarHBondContact O-CE1 3.25Å; P1943-F1986 WeakPolarHBondContact O-CZ 3.41Å; P1943-I2030 VanDerWaalsContact CA-CD1 3.48Å; P1943-I2030 HydrophobicContact CB-CD1 3.4Å; P1943-I2030 HydrophobicContact CB-CG1 4.35Å; P1943-I2030 HydrophobicContact CG-CD1 4.26Å; P1943-L2038 HydrophobicContact CB-CD1 4.49Å; P1943-L2038 HydrophobicContact CG-CD1 4.24Å |
| 1944 | G | 70.8 | Confident | 73.1 | Confident | 54 Ų | 54 | 79.3 Ų | 79.3 | 56% | 0.557 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | 6.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | V1942 | V1942-G1944 PolarHBondContact O-N 3.11Å; V1942-G1944 VanDerWaalsContact O-N 3.12Å |
| 1945 | T | 75.6 | Confident | 73.2 | Confident | 36 Ų | 36 | 72.7 Ų | 72.7 | 22% | 0.221 | 38% | 0.38 | C | S | . | . | trans | -96.1 | -7.5 | 176.7 | 62.7 | 0 | 0 | 0 | 0 | 114 | V1942 D1947 Y1984 | V1942-T1945 HydrophobicContact CB-CG2 3.89Å; V1942-T1945 HydrophobicContact CG1-CG2 3.92Å; V1942-T1945 PolarHBondContact O-N 3.14Å; V1942-T1945 VanDerWaalsContact O-N 3.08Å; V1942-T1945 PolarHBondContact O-OG1 2.66Å; T1945-D1947 PolarHBondContact O-N 3.32Å; T1945-Y1984 HydrophobicContact CG2-CD1 3.9Å; T1945-Y1984 HydrophobicContact CG2-CE1 3.46Å; T1945-Y1984 VanDerWaalsContact CG2-CE1 3.46Å | ||
| 1946 | Y | 69.1 | Low | 73.7 | Confident | 114 Ų | 114 | 73.8 Ų | 73.8 | 45% | 0.447 | 38% | 0.381 | S | S | . | . | trans | -68.6 | 114.5 | -175.5 | -177 | -89.7 | 0 | 0 | 0 | 111.7 | L1779 I1952 | L1779-Y1946 HydrophobicContact CD1-CD1 4.48Å; L1779-Y1946 HydrophobicContact CD1-CE1 3.42Å; L1779-Y1946 VanDerWaalsContact CD1-CE1 3.42Å; L1779-Y1946 WeakPolarHBondContact CD1-OH 3.3Å; L1779-Y1946 HydrophobicContact CD2-CE1 4.45Å; L1779-Y1946 HydrophobicContact CG-CE1 4.41Å; Y1946-I1952 HydrophobicContact CD2-CG1 4.36Å; Y1946-I1952 HydrophobicContact CE2-CD1 4.21Å; Y1946-I1952 HydrophobicContact CE2-CG1 4.28Å | ||
| 1947 | D | 65.9 | Low | 74.1 | Confident | 54 Ų | 54 | 69 Ų | 69 | 29% | 0.289 | 36% | 0.363 | S | S | . | . | trans | -128.6 | 122.5 | 172.1 | 176.1 | -5.9 | 0 | 0 | 0 | 107.9 | T1945 F1949 K1950 | T1945-D1947 PolarHBondContact O-N 3.32Å; D1947-F1949 PolarHBondContact O-N 2.79Å; D1947-F1949 WeakPolarHBondContact OD1-CD2 3.42Å; D1947-F1949 PolarHBondContact OD1-N 3.23Å; D1947-K1950 HydrophobicContact CB-CB 4.1Å; D1947-K1950 HydrophobicContact CB-CD 4.3Å; D1947-K1950 HydrophobicContact CB-CG 4.25Å; D1947-K1950 PolarHBondContact O-N 2.99Å; D1947-K1950 VanDerWaalsContact O-O 3.07Å | ||
| 1948 | P | 58.8 | Low | 74.2 | Confident | 56 Ų | 56 | 64.5 Ų | 64.5 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.8 | -176.7 | 25.2 | -34.8 | 0 | 0 | 0 | 113.9 | A1776 | A1776-P1948 HydrophobicContact CB-CB 3.66Å; A1776-P1948 HydrophobicContact CB-CG 4.11Å |
| 1949 | F | 60.6 | Low | 74.8 | Confident | 168 Ų | 168 | 68 Ų | 68 | 74% | 0.737 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -0.9 | 178.2 | -54.3 | -72.1 | 0 | 0 | 0 | 113.3 | D1947 | D1947-F1949 PolarHBondContact O-N 2.79Å; D1947-F1949 WeakPolarHBondContact OD1-CD2 3.42Å; D1947-F1949 PolarHBondContact OD1-N 3.23Å |
| 1950 | K | 66.8 | Low | 75.3 | Confident | 140 Ų | 140 | 65.4 Ų | 65.4 | 61% | 0.609 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -122.4 | 155.3 | -179.7 | -67.1 | -174.7 | -177 | -177 | 0 | 112 | D1947 | D1947-K1950 HydrophobicContact CB-CB 4.1Å; D1947-K1950 HydrophobicContact CB-CD 4.3Å; D1947-K1950 HydrophobicContact CB-CG 4.25Å; D1947-K1950 PolarHBondContact O-N 2.99Å; D1947-K1950 VanDerWaalsContact O-O 3.07Å |
| 1951 | P | 69.3 | Low | 75.9 | Confident | 120 Ų | 120 | 66.8 Ų | 66.8 | 78% | 0.779 | 35% | 0.35 | S | S | * | . | trans | -61.5 | 139.7 | 173 | 24.5 | -32.6 | 0 | 0 | 0 | 111.4 | V1953 | P1951-V1953 PolarHBondContact O-N 3.29Š| ||
| 1952 | I | 73.7 | Confident | 76.5 | Confident | 86 Ų | 86 | 65.8 Ų | 65.8 | 44% | 0.441 | 34% | 0.341 | S | S | . | . | trans | -68.1 | 120.5 | -178.2 | -59.7 | 172.7 | 0 | 0 | 0 | 109.8 | A1941 Y1946 R1954 | A1941-I1952 HydrophobicContact CB-CG2 3.58Å; Y1946-I1952 HydrophobicContact CD2-CG1 4.36Å; Y1946-I1952 HydrophobicContact CE2-CD1 4.21Å; Y1946-I1952 HydrophobicContact CE2-CG1 4.28Å; I1952-R1954 HydrophobicContact CG2-CG 4.29Å; I1952-R1954 PolarHBondContact O-N 3.5Å | ||
| 1953 | V | 82.1 | Confident | 77.1 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 13% | 0.133 | 37% | 0.366 | C | S | . | . | trans | -82.6 | 111.2 | 171.5 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | A1941 V1942 P1951 D1980 Y1984 | A1941-V1953 CarbonylContact C-O 3.57Å; A1941-V1953 WeakPolarHBondContact CA-O 3.41Å; V1942-V1953 HydrophobicContact CG2-CG1 3.94Å; V1942-V1953 PolarHBondContact N-O 3.48Å; P1951-V1953 PolarHBondContact O-N 3.29Å; V1953-D1980 HydrophobicContact CG1-CB 4.15Å; V1953-D1980 VanDerWaalsContact CG1-CG 3.48Å; V1953-D1980 WeakPolarHBondContact CG1-OD1 3.46Å; V1953-D1980 HydrophobicContact CG2-CB 4.42Å; V1953-Y1984 HydrophobicContact CG1-CE2 3.96Å | ||
| 1954 | R | 82.6 | Confident | 77.7 | Confident | 119 Ų | 119 | 71 Ų | 71 | 45% | 0.449 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -89.5 | 157.2 | -176.2 | -63.7 | 177.9 | -179.6 | 179.1 | -1.5 | 112.1 | L1938 L1940 I1952 Q1956 G1978 S1979 | L1938-R1954 WeakPolarHBondContact O-CB 3.28Å; L1940-R1954 CarbonylContact O-C 3.57Å; L1940-R1954 WeakPolarHBondContact O-CA 3.49Å; I1952-R1954 HydrophobicContact CG2-CG 4.29Å; I1952-R1954 PolarHBondContact O-N 3.5Å; R1954-Q1956 PolarHBondContact O-N 3.38Å; R1954-G1978 CarbonylContact O-C 3.39Å; R1954-G1978 WeakPolarHBondContact O-CA 3.35Å; R1954-S1979 PolarHBondContact N-OG 2.96Å; R1954-S1979 PolarHBondContact O-N 3.37Å |
| 1955 | I | 83.2 | Confident | 78.3 | Confident | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 109.9 | 175.3 | -59.7 | 175.8 | 0 | 0 | 0 | 109.9 | N1937 L1938 L1940 V1942 V1958 I1976 | N1937-I1955 CarbonylContact C-O 3.49Å; N1937-I1955 WeakPolarHBondContact CA-O 3.41Å; L1938-I1955 HydrophobicContact CB-CB 4.34Å; L1938-I1955 HydrophobicContact CD1-CB 3.7Å; L1938-I1955 HydrophobicContact CD1-CG2 3.49Å; L1938-I1955 VanDerWaalsContact CD1-CG2 3.49Å; L1938-I1955 PolarHBondContact N-O 2.86Å; L1940-I1955 HydrophobicContact CD2-CD1 4.05Å; L1940-I1955 HydrophobicContact CG-CD1 4.43Å; L1940-I1955 PolarHBondContact O-N 3.04Å; V1942-I1955 HydrophobicContact CG2-CG1 4.01Å; I1955-V1958 HydrophobicContact CG2-CG2 4.46Å; I1955-I1976 HydrophobicContact CB-CG2 4.26Å; I1955-I1976 HydrophobicContact CD1-CG2 4.44Å; I1955-I1976 HydrophobicContact CG1-CG2 3.95Å; I1955-I1976 HydrophobicContact CG2-CG2 3.66Å |
| 1956 | Q | 85.6 | Confident | 78.5 | Confident | 68 Ų | 68 | 74.3 Ų | 74.3 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -50.5 | 174.9 | -167.8 | -175.7 | 10.8 | 0 | 0 | 111.1 | Q1936 N1937 R1954 K1977 | Q1936-Q1956 CarbonylContact C-O 3.52Å; Q1936-Q1956 WeakPolarHBondContact CA-O 3.22Å; N1937-Q1956 PolarHBondContact N-O 3.11Å; N1937-Q1956 WeakPolarHBondContact OD1-CG 3.36Å; R1954-Q1956 PolarHBondContact O-N 3.38Å; Q1956-K1977 WeakPolarHBondContact CA-O 2.78Å; Q1956-K1977 HydrophobicContact CB-CB 4.46Å; Q1956-K1977 HydrophobicContact CB-CG 4.49Å; Q1956-K1977 VanDerWaalsContact CB-O 3.3Å; Q1956-K1977 WeakPolarHBondContact CB-O 3Å; Q1956-K1977 PolarHBondContact N-O 3.47Å |
| 1957 | S | 86.4 | Confident | 79 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 162.5 | 176.4 | 59 | 0 | 0 | 0 | 0 | 111.2 | K1977 | S1957-K1977 PolarHBondContact N-O 2.77Å; S1957-K1977 PolarHBondContact O-N 3.18Å |
| 1958 | V | 84.1 | Confident | 79.4 | Confident | 19 Ų | 19 | 78 Ų | 78 | 12% | 0.115 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 135.4 | 172 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | L1925 L1932 I1955 V1974 I1976 | L1925-V1958 HydrophobicContact CD2-CB 4.45Å; L1925-V1958 HydrophobicContact CD2-CG1 4.19Å; L1932-V1958 HydrophobicContact CD2-CB 3.77Å; L1932-V1958 HydrophobicContact CD2-CG1 3.68Å; L1932-V1958 HydrophobicContact CD2-CG2 3.74Å; I1955-V1958 HydrophobicContact CG2-CG2 4.46Å; V1958-V1974 HydrophobicContact CG1-CG1 3.95Å; V1958-I1976 HydrophobicContact CG2-CG1 4.3Å |
| 1959 | R | 85.1 | Confident | 80.3 | Confident | 111 Ų | 111 | 78.1 Ų | 78.1 | 42% | 0.419 | 40% | 0.401 | S | S | . | . | trans | -64.9 | 143.4 | -179.5 | -173.7 | 170.6 | 175 | 148.6 | -3.4 | 111.5 | L1925 D1961 C1975 | L1925-R1959 WeakPolarHBondContact CD1-O 3.05Å; R1959-D1961 WeakPolarHBondContact CG-OD1 3.12Å; R1959-D1961 IonicContact CZ-OD1 2.8Å; R1959-D1961 IonicContact CZ-OD2 3.73Å; R1959-D1961 IonicContact NE-OD1 3.19Å; R1959-D1961 PolarHBondContact NE-OD1 3.13Å; R1959-D1961 IonicContact NE-OD2 3.42Å; R1959-D1961 PolarHBondContact NE-OD2 3.41Å; R1959-D1961 IonicContact NH2-OD1 3.43Å; R1959-D1961 IonicContact NH2-OD2 3.24Å; R1959-D1961 PolarHBondContact NH2-OD2 2.86Å; R1959-C1975 HydrophobicContact CB-CB 3.87Å; R1959-C1975 PolarHBondContact N-O 2.86Å | ||
| 1960 | T | 84.6 | Confident | 81.3 | Confident | 66 Ų | 66 | 72.8 Ų | 72.8 | 41% | 0.405 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -75 | -34.7 | -172.1 | 46.6 | 0 | 0 | 0 | 0 | 114.2 | D1924 L1925 L1933 | D1924-T1960 WeakPolarHBondContact CA-O 3.47Å; L1925-T1960 WeakPolarHBondContact CD1-O 3.46Å; L1925-T1960 PolarHBondContact N-O 2.96Å; L1933-T1960 HydrophobicContact CD1-CG2 3.39Å |
| 1961 | D | 85.5 | Confident | 82.3 | Confident | 79 Ų | 79 | 66.6 Ų | 66.6 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 116.3 | -179.4 | 53.9 | -50.3 | 0 | 0 | 0 | 111.3 | R1959 | R1959-D1961 WeakPolarHBondContact CG-OD1 3.12Å; R1959-D1961 IonicContact CZ-OD1 2.8Å; R1959-D1961 IonicContact CZ-OD2 3.73Å; R1959-D1961 IonicContact NE-OD1 3.19Å; R1959-D1961 PolarHBondContact NE-OD1 3.13Å; R1959-D1961 IonicContact NE-OD2 3.42Å; R1959-D1961 PolarHBondContact NE-OD2 3.41Å; R1959-D1961 IonicContact NH2-OD1 3.43Å; R1959-D1961 IonicContact NH2-OD2 3.24Å; R1959-D1961 PolarHBondContact NH2-OD2 2.86Å |
| 1962 | L | 86.8 | Confident | 83.2 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.4 | 174.9 | -59.6 | 175.3 | 0 | 0 | 0 | 110.2 | V1821 T1922 L1923 L1925 V1974 | V1821-L1962 HydrophobicContact CG1-CD1 3.45Å; V1821-L1962 VanDerWaalsContact CG1-CD1 3.45Å; T1922-L1962 CarbonylContact C-O 3.44Å; T1922-L1962 WeakPolarHBondContact CA-O 3.3Å; L1923-L1962 HydrophobicContact CB-CB 4.23Å; L1923-L1962 PolarHBondContact N-O 3.09Å; L1923-L1962 PolarHBondContact O-N 3.43Å; L1925-L1962 HydrophobicContact CD1-CD1 3.45Å; L1925-L1962 VanDerWaalsContact CD1-CD1 3.45Å; L1925-L1962 HydrophobicContact CD1-CD2 3.91Å; L1925-L1962 HydrophobicContact CD1-CG 3.4Å; L1925-L1962 VanDerWaalsContact CD1-CG 3.4Å; L1925-L1962 HydrophobicContact CG-CD1 4.49Å; L1962-V1974 HydrophobicContact CD2-CB 4.06Å; L1962-V1974 HydrophobicContact CD2-CG1 4.09Å; L1962-V1974 HydrophobicContact CD2-CG2 3.82Å |
| 1963 | Q | 88.5 | Confident | 84 | Confident | 113 Ų | 113 | 58.7 Ų | 58.7 | 53% | 0.528 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 131.3 | 175.7 | -173.1 | -177.8 | 13.2 | 0 | 0 | 110.2 | K1973 | Q1963-K1973 HydrophobicContact CB-CB 4.24Å; Q1963-K1973 PolarHBondContact O-N 3.21Å |
| 1964 | V | 86.7 | Confident | 84.3 | Confident | 17 Ų | 17 | 57.8 Ų | 57.8 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124 | 175.6 | -175 | 0 | 0 | 0 | 0 | 109.1 | L1920 T1921 L1923 R1970 R1972 | L1920-V1964 WeakPolarHBondContact O-CB 3.44Å; T1921-V1964 PolarHBondContact O-N 3.18Å; L1923-V1964 HydrophobicContact CD1-CG2 3.74Å; L1923-V1964 HydrophobicContact CG-CG2 3.75Å; V1964-R1970 HydrophobicContact CG1-CB 4.08Å; V1964-R1972 HydrophobicContact CG2-CG 4.4Å |
| 1965 | I | 84 | Confident | 84.6 | Confident | 54 Ų | 54 | 52.3 Ų | 52.3 | 28% | 0.277 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 127.3 | 178.7 | -56.6 | -169.1 | 0 | 0 | 0 | 109.6 | S1967 R1970 P1971 L1987 W2041 | I1965-S1967 PolarHBondContact O-N 3.46Å; I1965-R1970 WeakPolarHBondContact O-CA 3.36Å; I1965-P1971 HydrophobicContact CB-CG 4.21Å; I1965-P1971 PolarHBondContact N-O 3.44Å; I1965-L1987 HydrophobicContact CD1-CD1 3.42Å; I1965-L1987 VanDerWaalsContact CD1-CD1 3.42Å; I1965-L1987 HydrophobicContact CG1-CD1 4.34Å; I1965-W2041 HydrophobicContact CD1-CH2 4.41Å; I1965-W2041 HydrophobicContact CD1-CZ3 3.93Å |
| 1966 | A | 79.5 | Confident | 84.8 | Confident | 106 Ų | 106 | 52.2 Ų | 52.2 | 88% | 0.876 | 27% | 0.274 | S | S | * | . | trans | -68.8 | 89.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1967 | S | 78.8 | Confident | 84.8 | Confident | 53 Ų | 53 | 53 Ų | 53 | 37% | 0.371 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -143.4 | 178.7 | 174.2 | 70.8 | 0 | 0 | 0 | 0 | 110 | I1965 Q1969 R1970 P1971 | I1965-S1967 PolarHBondContact O-N 3.46Å; S1967-Q1969 PolarHBondContact O-N 3.04Å; S1967-R1970 VanDerWaalsContact O-CG 3.22Å; S1967-R1970 WeakPolarHBondContact O-CG 3.48Å; S1967-R1970 PolarHBondContact O-N 3.2Å; S1967-R1970 PolarHBondContact OG-N 2.99Å; S1967-R1970 VanDerWaalsContact OG-N 3.13Å; S1967-P1971 WeakPolarHBondContact OG-CD 3.36Å |
| 1968 | K | 75.5 | Confident | 84.8 | Confident | 192 Ų | 192 | 51.1 Ų | 51.1 | 84% | 0.835 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -59.3 | -45.7 | 176.4 | -170.4 | -179.1 | 177.8 | -173.2 | 0 | 111.9 | ||
| 1969 | Q | 76.9 | Confident | 84.9 | Confident | 59 Ų | 59 | 53.5 Ų | 53.5 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -87.9 | -5.6 | -178 | -60.6 | -61.5 | -2.1 | 0 | 0 | 114.4 | S1967 | S1967-Q1969 PolarHBondContact O-N 3.04Š|
| 1970 | R | 82.6 | Confident | 84.8 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | trans | 46.9 | 50.4 | 174.8 | -59.3 | 171.5 | 173.3 | -99.1 | 1.1 | 114.9 | L1917 V1964 I1965 S1967 R1972 | L1917-R1970 PolarHBondContact O-NH1 3.15Å; V1964-R1970 HydrophobicContact CG1-CB 4.08Å; I1965-R1970 WeakPolarHBondContact O-CA 3.36Å; S1967-R1970 VanDerWaalsContact O-CG 3.22Å; S1967-R1970 WeakPolarHBondContact O-CG 3.48Å; S1967-R1970 PolarHBondContact O-N 3.2Å; S1967-R1970 PolarHBondContact OG-N 2.99Å; S1967-R1970 VanDerWaalsContact OG-N 3.13Å; R1970-R1972 VanDerWaalsContact O-CZ 3.22Å; R1970-R1972 PolarHBondContact O-NE 3.07Å; R1970-R1972 PolarHBondContact O-NH1 3.42Å; R1970-R1972 VanDerWaalsContact O-NH1 3.11Å | ||
| 1971 | P | 86.6 | Confident | 84.5 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | trans | -66.7 | 153.2 | -176.7 | 30.2 | -33.7 | 0 | 0 | 0 | 111.8 | I1965 S1967 L1987 L1988 K1989 | I1965-P1971 HydrophobicContact CB-CG 4.21Å; I1965-P1971 PolarHBondContact N-O 3.44Å; S1967-P1971 WeakPolarHBondContact OG-CD 3.36Å; P1971-L1987 HydrophobicContact CB-CD1 3.97Å; P1971-L1987 HydrophobicContact CB-CD2 4.06Å; P1971-L1987 HydrophobicContact CB-CG 3.87Å; P1971-L1987 HydrophobicContact CG-CD1 4.03Å; P1971-L1987 HydrophobicContact CG-CD2 4.15Å; P1971-L1987 HydrophobicContact CG-CG 4.28Å; P1971-L1988 WeakPolarHBondContact CA-O 3.36Å; P1971-L1988 WeakPolarHBondContact CB-O 3.42Å; P1971-K1989 HydrophobicContact CB-CG 4.15Å | ||
| 1972 | R | 89.4 | Confident | 84.3 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 1% | 0.011 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132.5 | -175.4 | -71.3 | 78.2 | -171.3 | 167.7 | 8.8 | 110.1 | A1822 E1827 L1923 V1964 R1970 L1987 L1988 | A1822-R1972 PolarHBondContact O-NH1 3.02Å; E1827-R1972 IonicContact OE1-CZ 3.96Å; E1827-R1972 IonicContact OE1-NH1 3.47Å; E1827-R1972 PolarHBondContact OE1-NH1 3.5Å; E1827-R1972 IonicContact OE1-NH2 3.44Å; E1827-R1972 PolarHBondContact OE1-NH2 3.43Å; E1827-R1972 IonicContact OE2-CZ 3.82Å; E1827-R1972 VanDerWaalsContact OE2-CZ 3.24Å; E1827-R1972 IonicContact OE2-NH1 3.51Å; E1827-R1972 PolarHBondContact OE2-NH1 2.89Å; E1827-R1972 IonicContact OE2-NH2 3.59Å; E1827-R1972 PolarHBondContact OE2-NH2 2.93Å; L1923-R1972 HydrophobicContact CD1-CG 3.99Å; V1964-R1972 HydrophobicContact CG2-CG 4.4Å; R1970-R1972 VanDerWaalsContact O-CZ 3.22Å; R1970-R1972 PolarHBondContact O-NE 3.07Å; R1970-R1972 PolarHBondContact O-NH1 3.42Å; R1970-R1972 VanDerWaalsContact O-NH1 3.11Å; R1972-L1987 CarbonylContact O-C 3.58Å; R1972-L1987 WeakPolarHBondContact O-CA 3.32Å; R1972-L1988 HydrophobicContact CB-CB 4.21Å; R1972-L1988 PolarHBondContact N-O 2.76Å; R1972-L1988 PolarHBondContact O-N 3.4Å |
| 1973 | K | 89.5 | Confident | 84.2 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 110.9 | 172.1 | -169.1 | 175.6 | -179.7 | 178.5 | 0 | 109 | Q1963 W1985 F1986 W2041 | Q1963-K1973 HydrophobicContact CB-CB 4.24Å; Q1963-K1973 PolarHBondContact O-N 3.21Å; K1973-W1985 HydrophobicContact CD-CE3 4.12Å; K1973-W1985 HydrophobicContact CD-CZ3 4.29Å; K1973-W1985 VanDerWaalsContact CE-CE3 3.42Å; K1973-W1985 HydrophobicContact CG-CE3 3.88Å; K1973-W1985 HydrophobicContact CG-CZ3 4.21Å; K1973-F1986 CarbonylContact C-O 3.2Å; K1973-F1986 WeakPolarHBondContact CA-O 3.43Å; K1973-W2041 HydrophobicContact CD-CZ3 4.5Å |
| 1974 | V | 87.7 | Confident | 84.1 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 139.9 | -178.6 | -176.2 | 0 | 0 | 0 | 0 | 109 | V1958 L1962 I1976 W1985 F1986 L1988 | V1958-V1974 HydrophobicContact CG1-CG1 3.95Å; L1962-V1974 HydrophobicContact CD2-CB 4.06Å; L1962-V1974 HydrophobicContact CD2-CG1 4.09Å; L1962-V1974 HydrophobicContact CD2-CG2 3.82Å; V1974-I1976 HydrophobicContact CG1-CG1 4.19Å; V1974-W1985 CarbonylContact O-C 3.48Å; V1974-W1985 WeakPolarHBondContact O-CA 3.24Å; V1974-F1986 HydrophobicContact CB-CB 4.49Å; V1974-F1986 PolarHBondContact N-O 3.41Å; V1974-F1986 PolarHBondContact O-N 2.75Å; V1974-L1988 HydrophobicContact CG2-CB 3.89Å; V1974-L1988 HydrophobicContact CG2-CD2 4.28Å |
| 1975 | C | 88.8 | Confident | 84.2 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.02 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.7 | 170.3 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | R1959 Y1984 W1985 | R1959-C1975 HydrophobicContact CB-CB 3.87Å; R1959-C1975 PolarHBondContact N-O 2.86Å; C1975-Y1984 WeakPolarHBondContact CA-O 3.32Å; C1975-W1985 HydrophobicContact CB-CD2 4.06Å; C1975-W1985 HydrophobicContact CB-CE3 3.65Å; C1975-W1985 HydrophobicContact CB-CH2 3.89Å; C1975-W1985 HydrophobicContact CB-CZ2 4.24Å; C1975-W1985 HydrophobicContact CB-CZ3 3.58Å |
| 1976 | I | 87.3 | Confident | 84.4 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124 | 176.4 | -59.3 | -178.9 | 0 | 0 | 0 | 107.8 | V1942 P1943 I1955 V1958 V1974 Y1984 F1986 | V1942-I1976 HydrophobicContact CG1-CG2 4.39Å; V1942-I1976 HydrophobicContact CG2-CG2 4.27Å; P1943-I1976 HydrophobicContact CG-CD1 4.33Å; I1955-I1976 HydrophobicContact CB-CG2 4.26Å; I1955-I1976 HydrophobicContact CD1-CG2 4.44Å; I1955-I1976 HydrophobicContact CG1-CG2 3.95Å; I1955-I1976 HydrophobicContact CG2-CG2 3.66Å; V1958-I1976 HydrophobicContact CG2-CG1 4.3Å; V1974-I1976 HydrophobicContact CG1-CG1 4.19Å; I1976-Y1984 PolarHBondContact N-O 2.97Å; I1976-Y1984 WeakPolarHBondContact O-CB 3.27Å; I1976-Y1984 PolarHBondContact O-N 3.41Å; I1976-F1986 HydrophobicContact CB-CD2 4.5Å; I1976-F1986 HydrophobicContact CB-CE2 4.24Å; I1976-F1986 HydrophobicContact CD1-CD2 3.9Å; I1976-F1986 HydrophobicContact CD1-CE2 3.89Å; I1976-F1986 HydrophobicContact CG1-CD2 4.11Å; I1976-F1986 HydrophobicContact CG1-CE2 4.23Å |
| 1977 | K | 86.9 | Confident | 84.9 | Confident | 83 Ų | 83 | 50.4 Ų | 50.4 | 36% | 0.361 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.2 | 175.2 | -166.6 | 167.9 | -176.7 | 169.9 | 0 | 109.7 | Q1956 S1957 | Q1956-K1977 WeakPolarHBondContact CA-O 2.78Å; Q1956-K1977 HydrophobicContact CB-CB 4.46Å; Q1956-K1977 HydrophobicContact CB-CG 4.49Å; Q1956-K1977 VanDerWaalsContact CB-O 3.3Å; Q1956-K1977 WeakPolarHBondContact CB-O 3Å; Q1956-K1977 PolarHBondContact N-O 3.47Å; S1957-K1977 PolarHBondContact N-O 2.77Å; S1957-K1977 PolarHBondContact O-N 3.18Å |
| 1978 | G | 85.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 162.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1954 D1980 G1981 Q1982 | R1954-G1978 CarbonylContact O-C 3.39Å; R1954-G1978 WeakPolarHBondContact O-CA 3.35Å; G1978-D1980 WeakPolarHBondContact CA-OD1 3.45Å; G1978-D1980 PolarHBondContact O-N 3.43Å; G1978-G1981 WeakPolarHBondContact O-CA 3.49Å; G1978-G1981 PolarHBondContact O-N 3.34Å; G1978-Q1982 PolarHBondContact N-O 3.39Å |
| 1979 | S | 86.3 | Confident | 85.8 | Confident | 69 Ų | 69 | 40.1 Ų | 40.1 | 48% | 0.483 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -14.7 | 173.7 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | R1954 | R1954-S1979 PolarHBondContact N-OG 2.96Å; R1954-S1979 PolarHBondContact O-N 3.37Å |
| 1980 | D | 83.3 | Confident | 85.8 | Confident | 68 Ų | 68 | 37.3 Ų | 37.3 | 36% | 0.364 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -5.7 | 168 | 62.6 | -11 | 0 | 0 | 0 | 112.7 | V1953 G1978 Q1982 Y1984 | V1953-D1980 HydrophobicContact CG1-CB 4.15Å; V1953-D1980 VanDerWaalsContact CG1-CG 3.48Å; V1953-D1980 WeakPolarHBondContact CG1-OD1 3.46Å; V1953-D1980 HydrophobicContact CG2-CB 4.42Å; G1978-D1980 WeakPolarHBondContact CA-OD1 3.45Å; G1978-D1980 PolarHBondContact O-N 3.43Å; D1980-Q1982 VanDerWaalsContact C-N 3.32Å; D1980-Q1982 PolarHBondContact OD1-N 3.18Å; D1980-Q1982 VanDerWaalsContact OD1-N 3.07Å; D1980-Y1984 PolarHBondContact OD2-OH 3.38Å |
| 1981 | G | 78.6 | Confident | 85.6 | Confident | 42 Ų | 42 | 36.4 Ų | 36.4 | 43% | 0.433 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 83.7 | -1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G1978 | G1978-G1981 WeakPolarHBondContact O-CA 3.49Å; G1978-G1981 PolarHBondContact O-N 3.34Å |
| 1982 | Q | 81.5 | Confident | 85 | Confident | 125 Ų | 125 | 37.2 Ų | 37.2 | 58% | 0.584 | 19% | 0.191 | S | C | * | . | trans | -84.9 | 148.7 | 179.9 | -63.3 | -166.6 | 14.3 | 0 | 0 | 112.3 | G1978 D1980 Y1984 | G1978-Q1982 PolarHBondContact N-O 3.39Å; D1980-Q1982 VanDerWaalsContact C-N 3.32Å; D1980-Q1982 PolarHBondContact OD1-N 3.18Å; D1980-Q1982 VanDerWaalsContact OD1-N 3.07Å; Q1982-Y1984 HydrophobicContact CB-CE2 3.9Å; Q1982-Y1984 WeakPolarHBondContact O-CD2 3.39Å | ||
| 1983 | D | 85.1 | Confident | 84.4 | Confident | 82 Ų | 82 | 37.6 Ų | 37.6 | 44% | 0.439 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 110.5 | 177.5 | -78.3 | -7.2 | 0 | 0 | 0 | 110.3 | ||
| 1984 | Y | 86.2 | Confident | 84 | Confident | 52 Ų | 52 | 36.1 Ų | 36.1 | 20% | 0.204 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 114.3 | 177.8 | -66.1 | -91.2 | 0 | 0 | 0 | 110.5 | V1942 T1945 V1953 C1975 I1976 D1980 Q1982 F1986 | V1942-Y1984 HydrophobicContact CG1-CD1 4.25Å; V1942-Y1984 HydrophobicContact CG1-CD2 3.9Å; V1942-Y1984 HydrophobicContact CG1-CG 3.73Å; V1942-Y1984 HydrophobicContact CG2-CD2 4.3Å; T1945-Y1984 HydrophobicContact CG2-CD1 3.9Å; T1945-Y1984 HydrophobicContact CG2-CE1 3.46Å; T1945-Y1984 VanDerWaalsContact CG2-CE1 3.46Å; V1953-Y1984 HydrophobicContact CG1-CE2 3.96Å; C1975-Y1984 WeakPolarHBondContact CA-O 3.32Å; I1976-Y1984 PolarHBondContact N-O 2.97Å; I1976-Y1984 WeakPolarHBondContact O-CB 3.27Å; I1976-Y1984 PolarHBondContact O-N 3.41Å; D1980-Y1984 PolarHBondContact OD2-OH 3.38Å; Q1982-Y1984 HydrophobicContact CB-CE2 3.9Å; Q1982-Y1984 WeakPolarHBondContact O-CD2 3.39Å; Y1984-F1986 WeakPolarHBondContact O-CD2 3.36Å |
| 1985 | W | 88 | Confident | 83.5 | Confident | 87 Ų | 87 | 37.6 Ų | 37.6 | 33% | 0.33 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 135.7 | 179.8 | -65.8 | 92.6 | 0 | 0 | 0 | 110.9 | K1973 V1974 C1975 W2041 | K1973-W1985 HydrophobicContact CD-CE3 4.12Å; K1973-W1985 HydrophobicContact CD-CZ3 4.29Å; K1973-W1985 VanDerWaalsContact CE-CE3 3.42Å; K1973-W1985 HydrophobicContact CG-CE3 3.88Å; K1973-W1985 HydrophobicContact CG-CZ3 4.21Å; V1974-W1985 CarbonylContact O-C 3.48Å; V1974-W1985 WeakPolarHBondContact O-CA 3.24Å; C1975-W1985 HydrophobicContact CB-CD2 4.06Å; C1975-W1985 HydrophobicContact CB-CE3 3.65Å; C1975-W1985 HydrophobicContact CB-CH2 3.89Å; C1975-W1985 HydrophobicContact CB-CZ2 4.24Å; C1975-W1985 HydrophobicContact CB-CZ3 3.58Å; W1985-W2041 HydrophobicContact CB-CB 3.47Å; W1985-W2041 VanDerWaalsContact CB-CB 3.47Å; W1985-W2041 HydrophobicContact CB-CG 3.83Å; W1985-W2041 WeakPolarHBondContact O-CB 3.48Å; W1985-W2041 PolarHBondContact O-N 3.04Å |
| 1986 | F | 88.6 | Confident | 83 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 152.3 | 175.7 | -62.5 | -85.5 | 0 | 0 | 0 | 110.9 | V1942 P1943 K1973 V1974 I1976 Y1984 L2038 I2039 | V1942-F1986 HydrophobicContact CG1-CE2 4.02Å; V1942-F1986 HydrophobicContact CG1-CZ 3.96Å; P1943-F1986 HydrophobicContact CB-CE1 3.83Å; P1943-F1986 HydrophobicContact CB-CE2 4.43Å; P1943-F1986 HydrophobicContact CB-CZ 3.74Å; P1943-F1986 WeakPolarHBondContact O-CE1 3.25Å; P1943-F1986 WeakPolarHBondContact O-CZ 3.41Å; K1973-F1986 CarbonylContact C-O 3.2Å; K1973-F1986 WeakPolarHBondContact CA-O 3.43Å; V1974-F1986 HydrophobicContact CB-CB 4.49Å; V1974-F1986 PolarHBondContact N-O 3.41Å; V1974-F1986 PolarHBondContact O-N 2.75Å; I1976-F1986 HydrophobicContact CB-CD2 4.5Å; I1976-F1986 HydrophobicContact CB-CE2 4.24Å; I1976-F1986 HydrophobicContact CD1-CD2 3.9Å; I1976-F1986 HydrophobicContact CD1-CE2 3.89Å; I1976-F1986 HydrophobicContact CG1-CD2 4.11Å; I1976-F1986 HydrophobicContact CG1-CE2 4.23Å; Y1984-F1986 WeakPolarHBondContact O-CD2 3.36Å; F1986-L2038 HydrophobicContact CB-CD2 3.77Å; F1986-L2038 HydrophobicContact CD1-CB 4.46Å; F1986-L2038 HydrophobicContact CG-CD2 4.34Å; F1986-I2039 CarbonylContact C-O 3.5Å; F1986-I2039 WeakPolarHBondContact CA-O 3.34Å |
| 1987 | L | 89.2 | Confident | 82.8 | Confident | 25 Ų | 25 | 38.2 Ų | 38.2 | 13% | 0.131 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 111 | 168.9 | -169 | 85.9 | 0 | 0 | 0 | 108.1 | I1965 P1971 R1972 K1989 I2039 W2041 | I1965-L1987 HydrophobicContact CD1-CD1 3.42Å; I1965-L1987 VanDerWaalsContact CD1-CD1 3.42Å; I1965-L1987 HydrophobicContact CG1-CD1 4.34Å; P1971-L1987 HydrophobicContact CB-CD1 3.97Å; P1971-L1987 HydrophobicContact CB-CD2 4.06Å; P1971-L1987 HydrophobicContact CB-CG 3.87Å; P1971-L1987 HydrophobicContact CG-CD1 4.03Å; P1971-L1987 HydrophobicContact CG-CD2 4.15Å; P1971-L1987 HydrophobicContact CG-CG 4.28Å; R1972-L1987 CarbonylContact O-C 3.58Å; R1972-L1987 WeakPolarHBondContact O-CA 3.32Å; L1987-K1989 HydrophobicContact CD2-CG 4Å; L1987-K1989 PolarHBondContact O-N 3.25Å; L1987-I2039 HydrophobicContact CB-CB 4.29Å; L1987-I2039 PolarHBondContact N-O 2.93Å; L1987-I2039 PolarHBondContact O-N 3.28Å; L1987-W2041 HydrophobicContact CD1-CE3 4.37Å; L1987-W2041 HydrophobicContact CD1-CZ3 4.17Å |
| 1988 | L | 87.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 105.4 | 174.9 | -178.5 | 67.9 | 0 | 0 | 0 | 108.8 | V1821 A1822 P1971 R1972 V1974 L2032 L2038 | V1821-L1988 HydrophobicContact CB-CD2 3.97Å; V1821-L1988 HydrophobicContact CG1-CD2 3.78Å; A1822-L1988 HydrophobicContact CB-CD1 3.91Å; A1822-L1988 HydrophobicContact CB-CD2 3.81Å; A1822-L1988 HydrophobicContact CB-CG 3.67Å; P1971-L1988 WeakPolarHBondContact CA-O 3.36Å; P1971-L1988 WeakPolarHBondContact CB-O 3.42Å; R1972-L1988 HydrophobicContact CB-CB 4.21Å; R1972-L1988 PolarHBondContact N-O 2.76Å; R1972-L1988 PolarHBondContact O-N 3.4Å; V1974-L1988 HydrophobicContact CG2-CB 3.89Å; V1974-L1988 HydrophobicContact CG2-CD2 4.28Å; L1988-L2032 HydrophobicContact CD1-CD1 3.69Å; L1988-L2038 HydrophobicContact CB-CD2 4.06Å; L1988-L2038 HydrophobicContact CD1-CD2 3.79Å; L1988-L2038 HydrophobicContact CD1-CG 4.08Å |
| 1989 | K | 85.7 | Confident | 82.1 | Confident | 29 Ų | 29 | 37.2 Ų | 37.2 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 133.6 | 174.8 | -76.7 | -160 | 173.4 | -168.5 | 0 | 110 | P1971 L1987 E1992 S2036 G2037 I2039 | P1971-K1989 HydrophobicContact CB-CG 4.15Å; L1987-K1989 HydrophobicContact CD2-CG 4Å; L1987-K1989 PolarHBondContact O-N 3.25Å; K1989-E1992 VanDerWaalsContact CD-OE2 3.28Å; K1989-E1992 WeakPolarHBondContact CD-OE2 3.49Å; K1989-E1992 WeakPolarHBondContact CE-OE2 3.42Å; K1989-E1992 IonicContact NZ-OE1 3.46Å; K1989-E1992 PolarHBondContact NZ-OE1 3.11Å; K1989-E1992 IonicContact NZ-OE2 2.77Å; K1989-E1992 PolarHBondContact NZ-OE2 3.44Å; K1989-S2036 VanDerWaalsContact O-CA 3.3Å; K1989-S2036 WeakPolarHBondContact O-CA 3.27Å; K1989-S2036 WeakPolarHBondContact O-CB 3.4Å; K1989-G2037 PolarHBondContact N-O 2.79Å; K1989-G2037 PolarHBondContact O-N 3.49Å; K1989-G2037 VanDerWaalsContact O-N 3.09Å; K1989-I2039 HydrophobicContact CD-CD1 3.61Å; K1989-I2039 HydrophobicContact CG-CD1 3.94Å |
| 1990 | G | 77.9 | Confident | 82 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 158.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | E1992 N2035 | G1990-E1992 PolarHBondContact O-N 3.08Å; G1990-N2035 CarbonylContact C-O 3.28Å |
| 1991 | H | 76.7 | Confident | 82.1 | Confident | 38 Ų | 38 | 31.4 Ų | 31.4 | 18% | 0.176 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 63.8 | 22.4 | -178 | -50.2 | -92.3 | 0 | 0 | 0 | 114.8 | I1823 E1831 N2035 | I1823-H1991 VanDerWaalsContact CG2-CE1 3.47Å; I1823-H1991 WeakPolarHBondContact CG2-CE1 3.44Å; I1823-H1991 VanDerWaalsContact CG2-NE2 3.27Å; I1823-H1991 WeakPolarHBondContact CG2-NE2 3.41Å; E1831-H1991 IonicContact OE2-CE1 3.79Å; E1831-H1991 PolarHBondContact OE2-CE1 3.22Å; E1831-H1991 IonicContact OE2-CG 3.38Å; E1831-H1991 IonicContact OE2-ND1 3.34Å; E1831-H1991 PolarHBondContact OE2-ND1 2.84Å; H1991-N2035 WeakPolarHBondContact CA-O 2.97Å; H1991-N2035 PolarHBondContact N-O 3.02Å |
| 1992 | E | 75.5 | Confident | 82.2 | Confident | 27 Ų | 27 | 30.9 Ų | 30.9 | 13% | 0.126 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -142.5 | 136.3 | -177.8 | -151.9 | 177.2 | 142.3 | 0 | 0 | 109.8 | K1989 G1990 P1994 N2035 S2036 | K1989-E1992 VanDerWaalsContact CD-OE2 3.28Å; K1989-E1992 WeakPolarHBondContact CD-OE2 3.49Å; K1989-E1992 WeakPolarHBondContact CE-OE2 3.42Å; K1989-E1992 IonicContact NZ-OE1 3.46Å; K1989-E1992 PolarHBondContact NZ-OE1 3.11Å; K1989-E1992 IonicContact NZ-OE2 2.77Å; K1989-E1992 PolarHBondContact NZ-OE2 3.44Å; G1990-E1992 PolarHBondContact O-N 3.08Å; E1992-P1994 VanDerWaalsContact O-CD 3.25Å; E1992-P1994 WeakPolarHBondContact O-CD 3.33Å; E1992-N2035 PolarHBondContact N-O 3.09Å; E1992-N2035 VanDerWaalsContact N-O 3.08Å; E1992-N2035 CarbonylContact O-C 3.19Å; E1992-S2036 PolarHBondContact O-N 3.27Å |
| 1993 | D | 77 | Confident | 82.3 | Confident | 11 Ų | 11 | 25.3 Ų | 25.3 | 6% | 0.059 | 12% | 0.115 | C | C | . | . | trans | -86.6 | 107.7 | 176.8 | -174.1 | -3.3 | 0 | 0 | 0 | 109.9 | R1995 Q2034 | D1993-R1995 VanDerWaalsContact C-N 3.26Å; D1993-R1995 VanDerWaalsContact CG-NE 3.32Å; D1993-R1995 PolarHBondContact O-N 2.91Å; D1993-R1995 VanDerWaalsContact OD1-CB 3.28Å; D1993-R1995 WeakPolarHBondContact OD1-CB 3.47Å; D1993-R1995 VanDerWaalsContact OD1-CG 3.25Å; D1993-R1995 WeakPolarHBondContact OD1-CG 3.47Å; D1993-R1995 IonicContact OD1-CZ 3.56Å; D1993-R1995 PolarHBondContact OD1-N 3.45Å; D1993-R1995 VanDerWaalsContact OD1-N 3.07Å; D1993-R1995 IonicContact OD1-NE 2.79Å; D1993-R1995 PolarHBondContact OD1-NE 3.07Å; D1993-R1995 IonicContact OD1-NH2 2.95Å; D1993-R1995 IonicContact OD2-CZ 3.81Å; D1993-R1995 VanDerWaalsContact OD2-CZ 3.22Å; D1993-R1995 IonicContact OD2-NE 2.96Å; D1993-R1995 PolarHBondContact OD2-NE 3.31Å; D1993-R1995 IonicContact OD2-NH2 3.19Å; D1993-R1995 PolarHBondContact OD2-NH2 3.16Å; D1993-Q2034 WeakPolarHBondContact CA-O 3.16Å; D1993-Q2034 VanDerWaalsContact CB-O 3.25Å; D1993-Q2034 WeakPolarHBondContact CB-O 3.49Å | ||
| 1994 | P | 79.6 | Confident | 82.4 | Confident | 6 Ų | 6 | 21.8 Ų | 21.8 | 4% | 0.039 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -1.2 | -176.1 | 37.9 | -39.8 | 0 | 0 | 0 | 112.9 | E1992 Q1996 D1997 E1998 I2029 P2031 | E1992-P1994 VanDerWaalsContact O-CD 3.25Å; E1992-P1994 WeakPolarHBondContact O-CD 3.33Å; P1994-Q1996 VanDerWaalsContact C-N 3.26Å; P1994-Q1996 PolarHBondContact O-N 3.23Å; P1994-D1997 PolarHBondContact O-N 3.33Å; P1994-E1998 PolarHBondContact O-N 3.31Å; P1994-I2029 HydrophobicContact CB-CG2 3.88Å; P1994-P2031 HydrophobicContact CG-CB 3.94Å; P1994-P2031 HydrophobicContact CG-CG 4.32Å |
| 1995 | R | 77.1 | Confident | 82.2 | Confident | 34 Ų | 34 | 19.6 Ų | 19.6 | 13% | 0.128 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.8 | -37 | -177.7 | -70.8 | 176.7 | -70 | 177.4 | 1.9 | 111.4 | D1993 D1997 E1998 R1999 P2031 L2243 L2244 | D1993-R1995 VanDerWaalsContact C-N 3.26Å; D1993-R1995 VanDerWaalsContact CG-NE 3.32Å; D1993-R1995 PolarHBondContact O-N 2.91Å; D1993-R1995 VanDerWaalsContact OD1-CB 3.28Å; D1993-R1995 WeakPolarHBondContact OD1-CB 3.47Å; D1993-R1995 VanDerWaalsContact OD1-CG 3.25Å; D1993-R1995 WeakPolarHBondContact OD1-CG 3.47Å; D1993-R1995 IonicContact OD1-CZ 3.56Å; D1993-R1995 PolarHBondContact OD1-N 3.45Å; D1993-R1995 VanDerWaalsContact OD1-N 3.07Å; D1993-R1995 IonicContact OD1-NE 2.79Å; D1993-R1995 PolarHBondContact OD1-NE 3.07Å; D1993-R1995 IonicContact OD1-NH2 2.95Å; D1993-R1995 IonicContact OD2-CZ 3.81Å; D1993-R1995 VanDerWaalsContact OD2-CZ 3.22Å; D1993-R1995 IonicContact OD2-NE 2.96Å; D1993-R1995 PolarHBondContact OD2-NE 3.31Å; D1993-R1995 IonicContact OD2-NH2 3.19Å; D1993-R1995 PolarHBondContact OD2-NH2 3.16Å; R1995-D1997 PolarHBondContact O-N 3.19Å; R1995-E1998 PolarHBondContact O-N 3.27Å; R1995-R1999 VanDerWaalsContact O-CG 3.26Å; R1995-R1999 WeakPolarHBondContact O-CG 3.44Å; R1995-R1999 PolarHBondContact O-N 3.31Å; R1995-R1999 VanDerWaalsContact O-N 3.14Å; R1995-P2031 HydrophobicContact CG-CB 3.89Å; R1995-P2031 HydrophobicContact CG-CG 3.78Å; R1995-L2243 VanDerWaalsContact NH1-CD1 3.33Å; R1995-L2244 HydrophobicContact CB-CD2 4.44Å |
| 1996 | Q | 78.4 | Confident | 82 | Confident | 16 Ų | 16 | 15.6 Ų | 15.6 | 8% | 0.075 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.6 | -51.6 | 175.1 | 176.7 | 160.8 | 11.8 | 0 | 0 | 110.8 | P1994 E1998 R1999 V2000 F2160 G2161 C2163 F2238 L2244 | P1994-Q1996 VanDerWaalsContact C-N 3.26Å; P1994-Q1996 PolarHBondContact O-N 3.23Å; Q1996-E1998 PolarHBondContact O-N 3.31Å; Q1996-R1999 PolarHBondContact O-N 3.22Å; Q1996-V2000 WeakPolarHBondContact O-CG2 3.32Å; Q1996-V2000 PolarHBondContact O-N 3.49Å; Q1996-V2000 VanDerWaalsContact O-N 3.11Å; Q1996-F2160 VanDerWaalsContact CD-O 3.23Å; Q1996-F2160 PolarHBondContact NE2-O 3.32Å; Q1996-G2161 PolarHBondContact NE2-O 2.94Å; Q1996-G2161 PolarHBondContact OE1-O 3.09Å; Q1996-C2163 PolarHBondContact NE2-SG 2.88Å; Q1996-F2238 HydrophobicContact CG-CZ 4.12Å; Q1996-L2244 HydrophobicContact CB-CD2 3.78Å |
| 1997 | D | 82.7 | Confident | 81.9 | Confident | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.021 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 179.3 | -56.2 | -128.8 | 0 | 0 | 0 | 112 | P1994 R1995 R1999 V2000 M2001 I2029 F2160 | P1994-D1997 PolarHBondContact O-N 3.33Å; R1995-D1997 PolarHBondContact O-N 3.19Å; D1997-R1999 VanDerWaalsContact C-N 3.29Å; D1997-R1999 PolarHBondContact O-N 2.86Å; D1997-V2000 PolarHBondContact O-N 3.09Å; D1997-M2001 WeakPolarHBondContact O-CG 3.33Å; D1997-M2001 PolarHBondContact O-N 2.64Å; D1997-I2029 VanDerWaalsContact C-CD1 3.5Å; D1997-I2029 HydrophobicContact CB-CD1 3.35Å; D1997-I2029 HydrophobicContact CB-CG2 4.47Å; D1997-F2160 HydrophobicContact CB-CD2 4.11Å |
| 1998 | E | 81.2 | Confident | 81.8 | Confident | 45 Ų | 45 | 15.1 Ų | 15.1 | 21% | 0.21 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -54.8 | -45.3 | 175.7 | -177.1 | -163.5 | -162.9 | 0 | 0 | 111.4 | P1994 R1995 Q1996 M2001 Q2002 I2029 P2031 | P1994-E1998 PolarHBondContact O-N 3.31Å; R1995-E1998 PolarHBondContact O-N 3.27Å; Q1996-E1998 PolarHBondContact O-N 3.31Å; E1998-M2001 PolarHBondContact O-N 3.42Å; E1998-Q2002 PolarHBondContact O-N 3.05Å; E1998-I2029 HydrophobicContact CB-CB 4.26Å; E1998-I2029 HydrophobicContact CB-CG2 4.02Å; E1998-P2031 WeakPolarHBondContact OE2-CG 3.21Å |
| 1999 | R | 77.8 | Confident | 81.5 | Confident | 17 Ų | 17 | 16.6 Ų | 16.6 | 6% | 0.064 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -69.9 | -37.4 | -179.9 | -58.5 | -55.8 | 173.8 | 124.7 | 7.3 | 112.5 | P1783 R1995 Q1996 D1997 M2001 Q2002 L2003 F2238 | P1783-R1999 VanDerWaalsContact CB-NE 3.33Å; P1783-R1999 VanDerWaalsContact CB-NH2 3.29Å; P1783-R1999 PolarHBondContact O-NH1 3.12Å; P1783-R1999 PolarHBondContact O-NH2 3.44Å; R1995-R1999 VanDerWaalsContact O-CG 3.26Å; R1995-R1999 WeakPolarHBondContact O-CG 3.44Å; R1995-R1999 PolarHBondContact O-N 3.31Å; R1995-R1999 VanDerWaalsContact O-N 3.14Å; Q1996-R1999 PolarHBondContact O-N 3.22Å; D1997-R1999 VanDerWaalsContact C-N 3.29Å; D1997-R1999 PolarHBondContact O-N 2.86Å; R1999-M2001 VanDerWaalsContact C-N 3.33Å; R1999-Q2002 WeakPolarHBondContact O-CB 3.36Å; R1999-Q2002 PolarHBondContact O-N 3.21Å; R1999-L2003 PolarHBondContact O-N 3.12Å; R1999-F2238 HydrophobicContact CB-CD2 3.46Å; R1999-F2238 VanDerWaalsContact CB-CD2 3.46Å; R1999-F2238 HydrophobicContact CB-CE2 3.49Å; R1999-F2238 VanDerWaalsContact CB-CE2 3.49Å; R1999-F2238 HydrophobicContact CB-CG 4.49Å; R1999-F2238 HydrophobicContact CG-CD2 3.61Å; R1999-F2238 HydrophobicContact CG-CE2 3.74Å |
| 2000 | V | 84.5 | Confident | 81.4 | Confident | 3 Ų | 3 | 15.5 Ų | 15.5 | 2% | 0.018 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.3 | -42 | 172.9 | 176 | 0 | 0 | 0 | 0 | 110.7 | Q1996 D1997 Q2002 L2003 F2004 L2136 F2160 | Q1996-V2000 WeakPolarHBondContact O-CG2 3.32Å; Q1996-V2000 PolarHBondContact O-N 3.49Å; Q1996-V2000 VanDerWaalsContact O-N 3.11Å; D1997-V2000 PolarHBondContact O-N 3.09Å; V2000-Q2002 VanDerWaalsContact C-N 3.3Å; V2000-Q2002 PolarHBondContact O-N 2.88Å; V2000-L2003 WeakPolarHBondContact O-CB 3.19Å; V2000-L2003 PolarHBondContact O-N 2.98Å; V2000-F2004 HydrophobicContact CG1-CD1 4.32Å; V2000-F2004 HydrophobicContact CG1-CD2 4.24Å; V2000-F2004 HydrophobicContact CG1-CE1 3.74Å; V2000-F2004 HydrophobicContact CG1-CE2 3.67Å; V2000-F2004 HydrophobicContact CG1-CZ 3.39Å; V2000-F2004 VanDerWaalsContact O-CG 3.32Å; V2000-F2004 WeakPolarHBondContact O-CG 3.39Å; V2000-F2004 PolarHBondContact O-N 2.69Å; V2000-L2136 HydrophobicContact CG1-CD2 4.02Å; V2000-L2136 HydrophobicContact CG2-CD2 3.94Å; V2000-F2160 HydrophobicContact CB-CD1 4.4Å; V2000-F2160 HydrophobicContact CB-CD2 4.42Å; V2000-F2160 HydrophobicContact CB-CG 4.22Å; V2000-F2160 HydrophobicContact CG1-CD1 3.67Å; V2000-F2160 HydrophobicContact CG1-CD2 4.26Å; V2000-F2160 HydrophobicContact CG1-CE1 3.76Å; V2000-F2160 HydrophobicContact CG1-CE2 4.3Å; V2000-F2160 HydrophobicContact CG1-CG 3.96Å; V2000-F2160 HydrophobicContact CG1-CZ 4.09Å; V2000-F2160 HydrophobicContact CG2-CB 4.17Å; V2000-F2160 HydrophobicContact CG2-CD1 4.49Å; V2000-F2160 HydrophobicContact CG2-CG 4.29Å |
| 2001 | M | 85.7 | Confident | 81.7 | Confident | 13 Ų | 13 | 15.5 Ų | 15.5 | 6% | 0.064 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.6 | -35.9 | 174.8 | -71.2 | -59.9 | 131.3 | 0 | 0 | 113 | D1997 E1998 R1999 F2004 G2005 R2026 Y2027 I2029 F2160 | D1997-M2001 WeakPolarHBondContact O-CG 3.33Å; D1997-M2001 PolarHBondContact O-N 2.64Å; E1998-M2001 PolarHBondContact O-N 3.42Å; R1999-M2001 VanDerWaalsContact C-N 3.33Å; M2001-F2004 HydrophobicContact CE-CD2 4.01Å; M2001-F2004 HydrophobicContact CE-CE2 4.03Å; M2001-F2004 PolarHBondContact O-N 3.24Å; M2001-F2004 HydrophobicContact SD-CD2 4.23Å; M2001-G2005 PolarHBondContact O-N 3.42Å; M2001-R2026 HydrophobicContact SD-CB 4.19Å; M2001-Y2027 HydrophobicContact CE-CD1 4.12Å; M2001-Y2027 HydrophobicContact CE-CD2 4.41Å; M2001-Y2027 HydrophobicContact CE-CE1 3.53Å; M2001-Y2027 HydrophobicContact CE-CE2 3.9Å; M2001-Y2027 VanDerWaalsContact CE-CZ 3.43Å; M2001-Y2027 HydrophobicContact SD-CD1 4.12Å; M2001-Y2027 HydrophobicContact SD-CD2 4.36Å; M2001-Y2027 HydrophobicContact SD-CE1 4.15Å; M2001-Y2027 HydrophobicContact SD-CE2 4.41Å; M2001-Y2027 HydrophobicContact SD-CG 4.25Å; M2001-I2029 HydrophobicContact CG-CD1 3.49Å; M2001-I2029 VanDerWaalsContact CG-CD1 3.49Å; M2001-I2029 HydrophobicContact CG-CG1 4.05Å; M2001-F2160 HydrophobicContact CE-CD2 4.23Å; M2001-F2160 HydrophobicContact CE-CE2 3.21Å; M2001-F2160 HydrophobicContact CE-CZ 3.57Å |
| 2002 | Q | 79.1 | Confident | 81.7 | Confident | 31 Ų | 31 | 17.5 Ų | 17.5 | 15% | 0.145 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.1 | -43.5 | 174.9 | -165.6 | -176 | 14 | 0 | 0 | 111.9 | Q1780 Q1784 E1998 R1999 V2000 F2004 G2005 L2006 | Q1780-Q2002 PolarHBondContact O-NE2 3.31Å; Q1784-Q2002 VanDerWaalsContact NE2-NE2 3.18Å; E1998-Q2002 PolarHBondContact O-N 3.05Å; R1999-Q2002 WeakPolarHBondContact O-CB 3.36Å; R1999-Q2002 PolarHBondContact O-N 3.21Å; V2000-Q2002 VanDerWaalsContact C-N 3.3Å; V2000-Q2002 PolarHBondContact O-N 2.88Å; Q2002-F2004 VanDerWaalsContact C-N 3.32Å; Q2002-F2004 PolarHBondContact O-N 3.44Å; Q2002-G2005 WeakPolarHBondContact O-CA 3.25Å; Q2002-G2005 PolarHBondContact O-N 2.56Å; Q2002-L2006 PolarHBondContact O-N 2.96Å |
| 2003 | L | 83.5 | Confident | 81.8 | Confident | 7 Ų | 7 | 21.9 Ų | 21.9 | 4% | 0.037 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.3 | -44.9 | 172.9 | 177.3 | 67.1 | 0 | 0 | 0 | 110.9 | R1999 V2000 G2005 L2006 I2007 L2136 I2231 V2234 L2235 | R1999-L2003 PolarHBondContact O-N 3.12Å; V2000-L2003 WeakPolarHBondContact O-CB 3.19Å; V2000-L2003 PolarHBondContact O-N 2.98Å; L2003-G2005 PolarHBondContact O-N 2.66Å; L2003-L2006 WeakPolarHBondContact O-CB 3.49Å; L2003-L2006 PolarHBondContact O-N 2.7Å; L2003-L2006 VanDerWaalsContact O-N 3.12Å; L2003-I2007 HydrophobicContact CD1-CD1 4.24Å; L2003-I2007 HydrophobicContact CD1-CG1 4.46Å; L2003-I2007 HydrophobicContact CD2-CD1 4.47Å; L2003-I2007 HydrophobicContact CG-CD1 3.93Å; L2003-I2007 WeakPolarHBondContact O-CG1 3.36Å; L2003-I2007 PolarHBondContact O-N 2.94Å; L2003-L2136 HydrophobicContact CD2-CD1 3.97Å; L2003-I2231 HydrophobicContact CD1-CG2 4.35Å; L2003-V2234 HydrophobicContact CD1-CB 4.5Å; L2003-V2234 HydrophobicContact CD1-CG1 4.27Å; L2003-L2235 HydrophobicContact CD2-CD2 4.02Å |
| 2004 | F | 87.9 | Confident | 81.8 | Confident | 9 Ų | 9 | 23.4 Ų | 23.4 | 4% | 0.039 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.9 | -33.6 | 174.6 | -66.4 | -9.4 | 0 | 0 | 0 | 112 | V2000 M2001 Q2002 I2007 N2008 I2024 R2026 V2132 F2160 | V2000-F2004 HydrophobicContact CG1-CD1 4.32Å; V2000-F2004 HydrophobicContact CG1-CD2 4.24Å; V2000-F2004 HydrophobicContact CG1-CE1 3.74Å; V2000-F2004 HydrophobicContact CG1-CE2 3.67Å; V2000-F2004 HydrophobicContact CG1-CZ 3.39Å; V2000-F2004 VanDerWaalsContact O-CG 3.32Å; V2000-F2004 WeakPolarHBondContact O-CG 3.39Å; V2000-F2004 PolarHBondContact O-N 2.69Å; M2001-F2004 HydrophobicContact CE-CD2 4.01Å; M2001-F2004 HydrophobicContact CE-CE2 4.03Å; M2001-F2004 PolarHBondContact O-N 3.24Å; M2001-F2004 HydrophobicContact SD-CD2 4.23Å; Q2002-F2004 VanDerWaalsContact C-N 3.32Å; Q2002-F2004 PolarHBondContact O-N 3.44Å; F2004-I2007 PolarHBondContact O-N 2.68Å; F2004-N2008 VanDerWaalsContact O-CB 3.29Å; F2004-N2008 WeakPolarHBondContact O-CB 3.36Å; F2004-N2008 PolarHBondContact O-N 3.02Å; F2004-N2008 PolarHBondContact O-ND2 3.02Å; F2004-I2024 HydrophobicContact CB-CB 4.36Å; F2004-I2024 HydrophobicContact CB-CD1 4.29Å; F2004-I2024 HydrophobicContact CB-CG2 4.24Å; F2004-I2024 HydrophobicContact CD1-CD1 3.84Å; F2004-I2024 HydrophobicContact CD1-CG2 4.41Å; F2004-I2024 HydrophobicContact CD2-CG2 3.57Å; F2004-I2024 HydrophobicContact CE1-CD1 4.39Å; F2004-I2024 HydrophobicContact CE2-CG2 3.92Å; F2004-I2024 HydrophobicContact CG-CB 4.4Å; F2004-I2024 HydrophobicContact CG-CD1 4.07Å; F2004-I2024 HydrophobicContact CG-CG2 3.83Å; F2004-I2024 HydrophobicContact CZ-CG2 4.49Å; F2004-R2026 HydrophobicContact CB-CG 4.07Å; F2004-V2132 HydrophobicContact CD1-CG1 3.95Å; F2004-V2132 HydrophobicContact CE1-CG1 3.52Å; F2004-F2160 AromaticContact CE2-CE1 3.92Å; F2004-F2160 HydrophobicContact CE2-CE1 3.92Å; F2004-F2160 AromaticContact CE2-CZ 3.74Å; F2004-F2160 HydrophobicContact CE2-CZ 3.74Å; F2004-F2160 AromaticContact CZ-CE1 3.89Å; F2004-F2160 HydrophobicContact CZ-CE1 3.89Å; F2004-F2160 HydrophobicContact CZ-CZ 4.2Å |
| 2005 | G | 82.8 | Confident | 81.4 | Confident | 5 Ų | 5 | 27.2 Ų | 27.2 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | M2001 Q2002 L2003 T2009 | M2001-G2005 PolarHBondContact O-N 3.42Å; Q2002-G2005 WeakPolarHBondContact O-CA 3.25Å; Q2002-G2005 PolarHBondContact O-N 2.56Å; L2003-G2005 PolarHBondContact O-N 2.66Å; G2005-T2009 PolarHBondContact O-N 3.36Å; G2005-T2009 VanDerWaalsContact O-N 3.12Å; G2005-T2009 PolarHBondContact O-OG1 3.37Å |
| 2006 | L | 82.6 | Confident | 81.1 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.1 | -48.2 | 175.4 | -179.3 | 67.8 | 0 | 0 | 0 | 111.1 | L1743 L1747 Q2002 L2003 N2008 T2009 M2010 V2234 | L1743-L2006 HydrophobicContact CD2-CB 4.05Å; L1743-L2006 HydrophobicContact CD2-CD1 3.89Å; L1743-L2006 HydrophobicContact CG-CD1 4.25Å; L1747-L2006 HydrophobicContact CD1-CD1 4.43Å; L1747-L2006 HydrophobicContact CD1-CD2 4.23Å; Q2002-L2006 PolarHBondContact O-N 2.96Å; L2003-L2006 WeakPolarHBondContact O-CB 3.49Å; L2003-L2006 PolarHBondContact O-N 2.7Å; L2003-L2006 VanDerWaalsContact O-N 3.12Å; L2006-N2008 VanDerWaalsContact C-N 3.35Å; L2006-N2008 PolarHBondContact O-N 3.06Å; L2006-T2009 WeakPolarHBondContact O-CA 3.44Å; L2006-T2009 VanDerWaalsContact O-CB 3.3Å; L2006-T2009 WeakPolarHBondContact O-CB 3.09Å; L2006-T2009 PolarHBondContact O-N 3.18Å; L2006-M2010 HydrophobicContact CD1-CE 3.8Å; L2006-M2010 HydrophobicContact CD2-CE 3.72Å; L2006-M2010 HydrophobicContact CG-CE 3.56Å; L2006-M2010 HydrophobicContact CG-SD 4.32Å; L2006-M2010 WeakPolarHBondContact O-CG 3.46Å; L2006-M2010 PolarHBondContact O-N 2.89Å; L2006-V2234 HydrophobicContact CD2-CG2 3.63Å |
| 2007 | I | 87.9 | Confident | 81 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.1 | -44.3 | 179.5 | -67.1 | 170.6 | 0 | 0 | 0 | 110.8 | L2003 F2004 T2009 M2010 L2011 I2024 V2132 L2224 | L2003-I2007 HydrophobicContact CD1-CD1 4.24Å; L2003-I2007 HydrophobicContact CD1-CG1 4.46Å; L2003-I2007 HydrophobicContact CD2-CD1 4.47Å; L2003-I2007 HydrophobicContact CG-CD1 3.93Å; L2003-I2007 WeakPolarHBondContact O-CG1 3.36Å; L2003-I2007 PolarHBondContact O-N 2.94Å; F2004-I2007 PolarHBondContact O-N 2.68Å; I2007-T2009 PolarHBondContact O-N 3.03Å; I2007-M2010 WeakPolarHBondContact O-CB 3.46Å; I2007-M2010 PolarHBondContact O-N 3.44Å; I2007-M2010 VanDerWaalsContact O-N 3.12Å; I2007-L2011 HydrophobicContact CG2-CD1 3.75Å; I2007-L2011 HydrophobicContact CG2-CG 4.11Å; I2007-L2011 WeakPolarHBondContact O-CG 3.27Å; I2007-L2011 PolarHBondContact O-N 3.23Å; I2007-I2024 HydrophobicContact CB-CD1 4.36Å; I2007-I2024 HydrophobicContact CG2-CD1 3.94Å; I2007-V2132 HydrophobicContact CD1-CB 4.42Å; I2007-V2132 HydrophobicContact CD1-CG1 3.55Å; I2007-V2132 HydrophobicContact CD1-CG2 3.98Å; I2007-V2132 HydrophobicContact CG2-CG2 4.16Å; I2007-L2224 HydrophobicContact CD1-CD2 4.21Å; I2007-L2224 HydrophobicContact CG1-CD2 3.99Å; I2007-L2224 HydrophobicContact CG2-CD2 4.07Å |
| 2008 | N | 87.3 | Confident | 80.5 | Confident | 14 Ų | 14 | 31.2 Ų | 31.2 | 8% | 0.075 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.6 | -37.4 | 175.3 | -76.7 | -12.8 | 0 | 0 | 0 | 112.1 | F2004 L2006 L2011 L2012 T2023 I2024 | F2004-N2008 VanDerWaalsContact O-CB 3.29Å; F2004-N2008 WeakPolarHBondContact O-CB 3.36Å; F2004-N2008 PolarHBondContact O-N 3.02Å; F2004-N2008 PolarHBondContact O-ND2 3.02Å; L2006-N2008 VanDerWaalsContact C-N 3.35Å; L2006-N2008 PolarHBondContact O-N 3.06Å; N2008-L2011 PolarHBondContact O-N 3.03Å; N2008-L2012 WeakPolarHBondContact O-CB 3.42Å; N2008-L2012 WeakPolarHBondContact O-CD1 3.33Å; N2008-L2012 WeakPolarHBondContact O-CG 3.43Å; N2008-L2012 PolarHBondContact O-N 3.36Å; N2008-T2023 WeakPolarHBondContact OD1-CA 3.33Å; N2008-I2024 PolarHBondContact ND2-O 3.38Å; N2008-I2024 PolarHBondContact OD1-N 2.98Å |
| 2009 | T | 81.4 | Confident | 79.9 | Confident | 30 Ų | 30 | 34.2 Ų | 34.2 | 18% | 0.184 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.4 | -46.5 | 176 | -52.5 | 0 | 0 | 0 | 0 | 110.5 | N1741 G2005 L2006 I2007 L2011 L2012 E2013 | N1741-T2009 HydrophobicContact CB-CG2 3.75Å; N1741-T2009 PolarHBondContact ND2-OG1 3.16Å; G2005-T2009 PolarHBondContact O-N 3.36Å; G2005-T2009 VanDerWaalsContact O-N 3.12Å; G2005-T2009 PolarHBondContact O-OG1 3.37Å; L2006-T2009 WeakPolarHBondContact O-CA 3.44Å; L2006-T2009 VanDerWaalsContact O-CB 3.3Å; L2006-T2009 WeakPolarHBondContact O-CB 3.09Å; L2006-T2009 PolarHBondContact O-N 3.18Å; I2007-T2009 PolarHBondContact O-N 3.03Å; T2009-L2011 PolarHBondContact O-N 3.45Å; T2009-L2012 PolarHBondContact O-N 3.38Å; T2009-E2013 WeakPolarHBondContact O-CG 3.49Å; T2009-E2013 PolarHBondContact O-N 3.08Å |
| 2010 | M | 82.8 | Confident | 79.7 | Confident | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.03 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 177.3 | -64.5 | 170.2 | 175.4 | 0 | 0 | 112.3 | L2006 I2007 L2012 E2013 N2014 V2223 N2227 I2231 | L2006-M2010 HydrophobicContact CD1-CE 3.8Å; L2006-M2010 HydrophobicContact CD2-CE 3.72Å; L2006-M2010 HydrophobicContact CG-CE 3.56Å; L2006-M2010 HydrophobicContact CG-SD 4.32Å; L2006-M2010 WeakPolarHBondContact O-CG 3.46Å; L2006-M2010 PolarHBondContact O-N 2.89Å; I2007-M2010 WeakPolarHBondContact O-CB 3.46Å; I2007-M2010 PolarHBondContact O-N 3.44Å; I2007-M2010 VanDerWaalsContact O-N 3.12Å; M2010-L2012 VanDerWaalsContact C-N 3.32Å; M2010-L2012 PolarHBondContact O-N 3.02Å; M2010-E2013 PolarHBondContact O-N 3.28Å; M2010-N2014 PolarHBondContact O-N 3.19Å; M2010-V2223 HydrophobicContact CB-CG1 3.99Å; M2010-N2227 HydrophobicContact CE-CB 3.71Å; M2010-N2227 HydrophobicContact CG-CB 4.37Å; M2010-N2227 HydrophobicContact SD-CB 3.58Å; M2010-N2227 VanDerWaalsContact SD-CB 3.58Å; M2010-I2231 HydrophobicContact CE-CG1 4.23Å; M2010-I2231 HydrophobicContact SD-CD1 4.36Å; M2010-I2231 HydrophobicContact SD-CG1 4.2Å |
| 2011 | L | 83.4 | Confident | 79.4 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.6 | -31.3 | 177.7 | -67.9 | 173.2 | 0 | 0 | 0 | 112.4 | I2007 N2008 T2009 T2017 C2018 L2022 T2128 V2220 V2223 | I2007-L2011 HydrophobicContact CG2-CD1 3.75Å; I2007-L2011 HydrophobicContact CG2-CG 4.11Å; I2007-L2011 WeakPolarHBondContact O-CG 3.27Å; I2007-L2011 PolarHBondContact O-N 3.23Å; N2008-L2011 PolarHBondContact O-N 3.03Å; T2009-L2011 PolarHBondContact O-N 3.45Å; L2011-T2017 HydrophobicContact CD2-CG2 4.15Å; L2011-T2017 CarbonylContact O-C 3.55Å; L2011-T2017 VanDerWaalsContact O-CB 3.32Å; L2011-T2017 WeakPolarHBondContact O-CB 3.2Å; L2011-T2017 PolarHBondContact O-OG1 3.23Å; L2011-C2018 PolarHBondContact O-N 3.1Å; L2011-L2022 WeakPolarHBondContact CB-O 3.4Å; L2011-L2022 HydrophobicContact CD1-CB 4.36Å; L2011-L2022 WeakPolarHBondContact CD1-O 3.32Å; L2011-T2128 HydrophobicContact CD1-CG2 3.91Å; L2011-V2220 HydrophobicContact CD2-CG2 4.16Å; L2011-V2223 HydrophobicContact CD2-CB 4.34Å; L2011-V2223 HydrophobicContact CD2-CG1 4.2Å |
| 2012 | L | 78.4 | Confident | 79.2 | Confident | 79 Ų | 79 | 38.3 Ų | 38.3 | 41% | 0.414 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -80.4 | -26.5 | 176.6 | -71.5 | 169.3 | 0 | 0 | 0 | 112.9 | N2008 T2009 M2010 C2018 T2023 | N2008-L2012 WeakPolarHBondContact O-CB 3.42Å; N2008-L2012 WeakPolarHBondContact O-CD1 3.33Å; N2008-L2012 WeakPolarHBondContact O-CG 3.43Å; N2008-L2012 PolarHBondContact O-N 3.36Å; T2009-L2012 PolarHBondContact O-N 3.38Å; M2010-L2012 VanDerWaalsContact C-N 3.32Å; M2010-L2012 PolarHBondContact O-N 3.02Å; L2012-C2018 WeakPolarHBondContact O-CB 3.14Å; L2012-T2023 HydrophobicContact CD1-CG2 4.32Å; L2012-T2023 HydrophobicContact CD2-CG2 4.1Å; L2012-T2023 HydrophobicContact CG-CG2 4.18Å |
| 2013 | E | 76.9 | Confident | 79.6 | Confident | 120 Ų | 120 | 37.8 Ų | 37.8 | 56% | 0.561 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -71.2 | -33.4 | 175.1 | -78.3 | -174.3 | 165.5 | 0 | 0 | 112.8 | T2009 M2010 | T2009-E2013 WeakPolarHBondContact O-CG 3.49Å; T2009-E2013 PolarHBondContact O-N 3.08Å; M2010-E2013 PolarHBondContact O-N 3.28Å |
| 2014 | N | 77.8 | Confident | 79.8 | Confident | 42 Ų | 42 | 37.9 Ų | 37.9 | 23% | 0.225 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -79.1 | 122.6 | 176 | -178.4 | -33.7 | 0 | 0 | 0 | 110.4 | M2010 M2016 T2017 C2018 V2223 | M2010-N2014 PolarHBondContact O-N 3.19Å; N2014-M2016 VanDerWaalsContact C-N 3.31Å; N2014-M2016 PolarHBondContact O-N 3.12Å; N2014-M2016 PolarHBondContact OD1-N 2.97Å; N2014-T2017 VanDerWaalsContact CB-OG1 3.29Å; N2014-T2017 WeakPolarHBondContact CB-OG1 3.47Å; N2014-T2017 PolarHBondContact O-N 3.04Å; N2014-T2017 PolarHBondContact O-OG1 3.05Å; N2014-C2018 WeakPolarHBondContact O-CB 3.42Å; N2014-C2018 PolarHBondContact O-N 3.39Å; N2014-V2223 HydrophobicContact CB-CG2 4.1Å; N2014-V2223 WeakPolarHBondContact ND2-CG2 3.49Å |
| 2015 | P | 69.2 | Low | 79.7 | Confident | 87 Ų | 87 | 38.5 Ų | 38.5 | 57% | 0.565 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -65.7 | -29.1 | -173.6 | 24.2 | -33.3 | 0 | 0 | 0 | 113.9 | R2019 | P2015-R2019 WeakPolarHBondContact O-CB 3.5Å; P2015-R2019 PolarHBondContact O-N 3.49Å |
| 2016 | M | 71.2 | Confident | 79.8 | Confident | 105 Ų | 105 | 45.1 Ų | 45.1 | 52% | 0.517 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.2 | -41.3 | 178 | -74 | -85.2 | -92.2 | 0 | 0 | 111.2 | N2014 R2020 | N2014-M2016 VanDerWaalsContact C-N 3.31Å; N2014-M2016 PolarHBondContact O-N 3.12Å; N2014-M2016 PolarHBondContact OD1-N 2.97Å; M2016-R2020 WeakPolarHBondContact O-CG 3.33Å |
| 2017 | T | 77 | Confident | 79.9 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -80.9 | -33.2 | 179.8 | 48.1 | 0 | 0 | 0 | 0 | 112.2 | L2011 N2014 R2020 N2021 L2022 N2219 V2223 | L2011-T2017 HydrophobicContact CD2-CG2 4.15Å; L2011-T2017 CarbonylContact O-C 3.55Å; L2011-T2017 VanDerWaalsContact O-CB 3.32Å; L2011-T2017 WeakPolarHBondContact O-CB 3.2Å; L2011-T2017 PolarHBondContact O-OG1 3.23Å; N2014-T2017 VanDerWaalsContact CB-OG1 3.29Å; N2014-T2017 WeakPolarHBondContact CB-OG1 3.47Å; N2014-T2017 PolarHBondContact O-N 3.04Å; N2014-T2017 PolarHBondContact O-OG1 3.05Å; T2017-R2020 PolarHBondContact O-N 3.31Å; T2017-N2021 PolarHBondContact O-N 3.31Å; T2017-L2022 HydrophobicContact CG2-CD1 3.8Å; T2017-L2022 PolarHBondContact O-N 3.48Å; T2017-N2219 HydrophobicContact CG2-CB 4.25Å; T2017-V2223 HydrophobicContact CG2-CG2 4.06Å |
| 2018 | C | 72.9 | Confident | 79.7 | Confident | 32 Ų | 32 | 47.4 Ų | 47.4 | 22% | 0.216 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.4 | -47 | 174.5 | -178.9 | 0 | 0 | 0 | 0 | 112 | Y794 L2011 L2012 N2014 R2020 N2021 | Y794-C2018 PolarHBondContact OH-O 3.5Å; L2011-C2018 PolarHBondContact O-N 3.1Å; L2012-C2018 WeakPolarHBondContact O-CB 3.14Å; N2014-C2018 WeakPolarHBondContact O-CB 3.42Å; N2014-C2018 PolarHBondContact O-N 3.39Å; C2018-R2020 PolarHBondContact O-N 3.5Å; C2018-N2021 WeakPolarHBondContact O-CA 3.36Å; C2018-N2021 PolarHBondContact O-N 2.94Å |
| 2019 | R | 68 | Low | 79.5 | Confident | 108 Ų | 108 | 47.4 Ų | 47.4 | 41% | 0.408 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.3 | -30.9 | 177.8 | -169.3 | 173.8 | -177.3 | 173.1 | -1.4 | 112.7 | Q1514 S1515 P2015 N2021 | Q1514-R2019 VanDerWaalsContact CG-NH2 3.3Å; S1515-R2019 PolarHBondContact OG-NH1 3.49Å; P2015-R2019 WeakPolarHBondContact O-CB 3.5Å; P2015-R2019 PolarHBondContact O-N 3.49Å; R2019-N2021 VanDerWaalsContact C-N 3.32Å |
| 2020 | R | 73.8 | Confident | 79.5 | Confident | 38 Ų | 38 | 48.6 Ų | 48.6 | 14% | 0.143 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -1.7 | 177 | -67.8 | 173.4 | 176 | 147.4 | -7.9 | 113.7 | E1314 M2016 T2017 C2018 L2022 N2219 | E1314-R2020 IonicContact OE1-CZ 3.68Å; E1314-R2020 IonicContact OE1-NE 2.75Å; E1314-R2020 PolarHBondContact OE1-NE 3.05Å; E1314-R2020 IonicContact OE1-NH2 3.28Å; E1314-R2020 PolarHBondContact OE1-NH2 3.39Å; E1314-R2020 IonicContact OE2-CZ 3.96Å; E1314-R2020 IonicContact OE2-NE 2.89Å; E1314-R2020 IonicContact OE2-NH2 3.9Å; M2016-R2020 WeakPolarHBondContact O-CG 3.33Å; T2017-R2020 PolarHBondContact O-N 3.31Å; C2018-R2020 PolarHBondContact O-N 3.5Å; R2020-L2022 VanDerWaalsContact C-N 3.26Å; R2020-L2022 HydrophobicContact CB-CD1 4.47Å; R2020-L2022 HydrophobicContact CB-CD2 4.1Å; R2020-L2022 HydrophobicContact CB-CG 3.89Å; R2020-L2022 PolarHBondContact O-N 3.17Å; R2020-N2219 PolarHBondContact NH1-ND2 2.76Å |
| 2021 | N | 77.1 | Confident | 79.2 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 40.7 | -177 | -159.1 | 10.5 | 0 | 0 | 0 | 113.9 | Y794 T2017 C2018 R2019 T2023 | Y794-N2021 HydrophobicContact CE2-CB 4.35Å; T2017-N2021 PolarHBondContact O-N 3.31Å; C2018-N2021 WeakPolarHBondContact O-CA 3.36Å; C2018-N2021 PolarHBondContact O-N 2.94Å; R2019-N2021 VanDerWaalsContact C-N 3.32Å; N2021-T2023 PolarHBondContact O-N 2.83Å; N2021-T2023 PolarHBondContact O-OG1 3.48Å |
| 2022 | L | 82.9 | Confident | 78.9 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | trans | -70.4 | 99.8 | 178.5 | -58.2 | -177.1 | 0 | 0 | 0 | 109.4 | L2011 T2017 R2020 R2124 T2216 V2220 | L2011-L2022 WeakPolarHBondContact CB-O 3.4Å; L2011-L2022 HydrophobicContact CD1-CB 4.36Å; L2011-L2022 WeakPolarHBondContact CD1-O 3.32Å; T2017-L2022 HydrophobicContact CG2-CD1 3.8Å; T2017-L2022 PolarHBondContact O-N 3.48Å; R2020-L2022 VanDerWaalsContact C-N 3.26Å; R2020-L2022 HydrophobicContact CB-CD1 4.47Å; R2020-L2022 HydrophobicContact CB-CD2 4.1Å; R2020-L2022 HydrophobicContact CB-CG 3.89Å; R2020-L2022 PolarHBondContact O-N 3.17Å; L2022-R2124 HydrophobicContact CD2-CB 3.7Å; L2022-R2124 HydrophobicContact CD2-CG 3.96Å; L2022-T2216 HydrophobicContact CD1-CG2 3.83Å; L2022-T2216 HydrophobicContact CD2-CG2 3.63Å; L2022-T2216 HydrophobicContact CG-CG2 4.39Å; L2022-V2220 HydrophobicContact CD1-CG2 3.95Å | ||
| 2023 | T | 86.2 | Confident | 78.7 | Confident | 19 Ų | 19 | 50 Ų | 50 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | trans | -142.7 | 139.7 | -179.9 | 48.2 | 0 | 0 | 0 | 0 | 110.3 | N2008 L2012 N2021 K2154 | N2008-T2023 WeakPolarHBondContact OD1-CA 3.33Å; L2012-T2023 HydrophobicContact CD1-CG2 4.32Å; L2012-T2023 HydrophobicContact CD2-CG2 4.1Å; L2012-T2023 HydrophobicContact CG-CG2 4.18Å; N2021-T2023 PolarHBondContact O-N 2.83Å; N2021-T2023 PolarHBondContact O-OG1 3.48Å; T2023-K2154 PolarHBondContact OG1-NZ 3.11Å | ||
| 2024 | I | 88.6 | Confident | 78.5 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 5% | 0.051 | 26% | 0.255 | C | S | . | . | trans | -87 | 130.3 | 175.6 | -50.9 | 169.9 | 0 | 0 | 0 | 108.2 | F2004 I2007 N2008 R2026 T2128 V2129 V2132 | F2004-I2024 HydrophobicContact CB-CB 4.36Å; F2004-I2024 HydrophobicContact CB-CD1 4.29Å; F2004-I2024 HydrophobicContact CB-CG2 4.24Å; F2004-I2024 HydrophobicContact CD1-CD1 3.84Å; F2004-I2024 HydrophobicContact CD1-CG2 4.41Å; F2004-I2024 HydrophobicContact CD2-CG2 3.57Å; F2004-I2024 HydrophobicContact CE1-CD1 4.39Å; F2004-I2024 HydrophobicContact CE2-CG2 3.92Å; F2004-I2024 HydrophobicContact CG-CB 4.4Å; F2004-I2024 HydrophobicContact CG-CD1 4.07Å; F2004-I2024 HydrophobicContact CG-CG2 3.83Å; F2004-I2024 HydrophobicContact CZ-CG2 4.49Å; I2007-I2024 HydrophobicContact CB-CD1 4.36Å; I2007-I2024 HydrophobicContact CG2-CD1 3.94Å; N2008-I2024 PolarHBondContact ND2-O 3.38Å; N2008-I2024 PolarHBondContact OD1-N 2.98Å; I2024-R2026 PolarHBondContact O-N 3.11Å; I2024-T2128 HydrophobicContact CD1-CG2 4.42Å; I2024-T2128 HydrophobicContact CG1-CG2 3.85Å; I2024-V2129 HydrophobicContact CG2-CG2 4.34Å; I2024-V2132 HydrophobicContact CD1-CB 4.23Å; I2024-V2132 HydrophobicContact CD1-CG1 4.02Å; I2024-V2132 HydrophobicContact CD1-CG2 3.91Å | ||
| 2025 | S | 84.8 | Confident | 78.5 | Confident | 22 Ų | 22 | 52.1 Ų | 52.1 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | trans | -65.5 | 125.9 | 175.7 | -61.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 2026 | R | 85.4 | Confident | 79.1 | Confident | 143 Ų | 143 | 48 Ų | 48 | 54% | 0.54 | 24% | 0.24 | S | C | . | . | trans | -113 | 144.3 | 178.2 | -56.3 | -174.9 | -61.1 | 160.5 | -1.4 | 109.4 | M2001 F2004 I2024 | M2001-R2026 HydrophobicContact SD-CB 4.19Å; F2004-R2026 HydrophobicContact CB-CG 4.07Å; I2024-R2026 PolarHBondContact O-N 3.11Å | ||
| 2027 | Y | 86 | Confident | 79.7 | Confident | 19 Ų | 19 | 43 Ų | 43 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | trans | -125.1 | 155.5 | 170.2 | 43.3 | -89.1 | 0 | 0 | 0 | 109.6 | M2001 I2029 I2039 M2042 V2156 H2157 I2158 F2160 | M2001-Y2027 HydrophobicContact CE-CD1 4.12Å; M2001-Y2027 HydrophobicContact CE-CD2 4.41Å; M2001-Y2027 HydrophobicContact CE-CE1 3.53Å; M2001-Y2027 HydrophobicContact CE-CE2 3.9Å; M2001-Y2027 VanDerWaalsContact CE-CZ 3.43Å; M2001-Y2027 HydrophobicContact SD-CD1 4.12Å; M2001-Y2027 HydrophobicContact SD-CD2 4.36Å; M2001-Y2027 HydrophobicContact SD-CE1 4.15Å; M2001-Y2027 HydrophobicContact SD-CE2 4.41Å; M2001-Y2027 HydrophobicContact SD-CG 4.25Å; Y2027-I2029 HydrophobicContact CD2-CD1 3.89Å; Y2027-I2029 HydrophobicContact CD2-CG1 3.78Å; Y2027-I2029 HydrophobicContact CE2-CD1 3.58Å; Y2027-I2029 HydrophobicContact CE2-CG1 3.97Å; Y2027-I2039 HydrophobicContact CD2-CG2 3.64Å; Y2027-I2039 HydrophobicContact CE2-CG2 3.7Å; Y2027-M2042 HydrophobicContact CD1-CG 4.1Å; Y2027-M2042 HydrophobicContact CD1-SD 4.23Å; Y2027-M2042 HydrophobicContact CG-CG 4.4Å; Y2027-M2042 HydrophobicContact CG-SD 4.49Å; Y2027-V2156 HydrophobicContact CE1-CG1 4.27Å; Y2027-H2157 PolarHBondContact OH-O 3.44Å; Y2027-I2158 HydrophobicContact CE1-CG2 4.2Å; Y2027-I2158 WeakPolarHBondContact OH-CA 3.19Å; Y2027-F2160 WeakPolarHBondContact OH-CE2 3.24Å | ||
| 2028 | S | 82.5 | Confident | 80.1 | Confident | 38 Ų | 38 | 43 Ų | 43 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | trans | -71.2 | 138.4 | 179.4 | 49.1 | 0 | 0 | 0 | 0 | 110.3 | I2039 G2040 | S2028-I2039 CarbonylContact O-C 3.59Å; S2028-G2040 PolarHBondContact O-N 3.47Å; S2028-G2040 WeakPolarHBondContact OG-CA 3.36Å | ||
| 2029 | I | 84.3 | Confident | 80.7 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 8% | 0.077 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.7 | 175.7 | -57.5 | -178.4 | 0 | 0 | 0 | 106.9 | P1994 D1997 E1998 M2001 Y2027 L2038 | P1994-I2029 HydrophobicContact CB-CG2 3.88Å; D1997-I2029 VanDerWaalsContact C-CD1 3.5Å; D1997-I2029 HydrophobicContact CB-CD1 3.35Å; D1997-I2029 HydrophobicContact CB-CG2 4.47Å; E1998-I2029 HydrophobicContact CB-CB 4.26Å; E1998-I2029 HydrophobicContact CB-CG2 4.02Å; M2001-I2029 HydrophobicContact CG-CD1 3.49Å; M2001-I2029 VanDerWaalsContact CG-CD1 3.49Å; M2001-I2029 HydrophobicContact CG-CG1 4.05Å; Y2027-I2029 HydrophobicContact CD2-CD1 3.89Å; Y2027-I2029 HydrophobicContact CD2-CG1 3.78Å; Y2027-I2029 HydrophobicContact CE2-CD1 3.58Å; Y2027-I2029 HydrophobicContact CE2-CG1 3.97Å; I2029-L2038 CarbonylContact C-O 3.54Å; I2029-L2038 WeakPolarHBondContact CA-O 3.33Å |
| 2030 | I | 80.1 | Confident | 81.6 | Confident | 54 Ų | 54 | 37.7 Ų | 37.7 | 28% | 0.277 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 109 | -178.9 | -50.6 | -156.9 | 0 | 0 | 0 | 108.8 | P1943 L2032 G2037 L2038 | P1943-I2030 VanDerWaalsContact CA-CD1 3.48Å; P1943-I2030 HydrophobicContact CB-CD1 3.4Å; P1943-I2030 HydrophobicContact CB-CG1 4.35Å; P1943-I2030 HydrophobicContact CG-CD1 4.26Å; I2030-L2032 PolarHBondContact O-N 2.76Å; I2030-G2037 CarbonylContact O-C 3.08Å; I2030-G2037 VanDerWaalsContact O-CA 3.23Å; I2030-G2037 WeakPolarHBondContact O-CA 3.41Å; I2030-L2038 HydrophobicContact CB-CB 4.4Å; I2030-L2038 PolarHBondContact N-O 2.95Å; I2030-L2038 PolarHBondContact O-N 2.75Å |
| 2031 | P | 77.6 | Confident | 82.2 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 25% | 0.247 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 127.1 | 169.2 | -13.6 | 27.1 | 0 | 0 | 0 | 110 | P1994 R1995 E1998 | P1994-P2031 HydrophobicContact CG-CB 3.94Å; P1994-P2031 HydrophobicContact CG-CG 4.32Å; R1995-P2031 HydrophobicContact CG-CB 3.89Å; R1995-P2031 HydrophobicContact CG-CG 3.78Å; E1998-P2031 WeakPolarHBondContact OE2-CG 3.21Å |
| 2032 | L | 75.4 | Confident | 82.4 | Confident | 34 Ų | 34 | 38.3 Ų | 38.3 | 18% | 0.178 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -34.7 | 173.5 | -65.7 | 173.9 | 0 | 0 | 0 | 111.3 | L1818 V1819 L1988 I2030 S2036 L2038 | L1818-L2032 HydrophobicContact CB-CD1 3.6Å; L1818-L2032 HydrophobicContact CD1-CD1 4.28Å; L1818-L2032 HydrophobicContact CD1-CD2 4.21Å; V1819-L2032 HydrophobicContact CG2-CB 3.77Å; L1988-L2032 HydrophobicContact CD1-CD1 3.69Å; I2030-L2032 PolarHBondContact O-N 2.76Å; L2032-S2036 PolarHBondContact N-O 3.28Å; L2032-L2038 HydrophobicContact CD1-CD1 4.37Å; L2032-L2038 HydrophobicContact CD1-CG 4.06Å; L2032-L2038 HydrophobicContact CD2-CD1 4.46Å |
| 2033 | S | 75.6 | Confident | 82.1 | Confident | 45 Ų | 45 | 42.2 Ų | 42.2 | 32% | 0.315 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | -177 | 174.1 | 77.8 | 0 | 0 | 0 | 0 | 110.3 | N2035 S2036 | S2033-N2035 PolarHBondContact O-N 3.18Å; S2033-N2035 PolarHBondContact OG-N 3.27Å; S2033-S2036 PolarHBondContact N-O 3.05Å; S2033-S2036 PolarHBondContact OG-N 3.39Å; S2033-S2036 PolarHBondContact OG-OG 3.36Å |
| 2034 | Q | 73.1 | Confident | 81.7 | Confident | 117 Ų | 117 | 44 Ų | 44 | 55% | 0.547 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.6 | 174.5 | -65.7 | -179.5 | -7.7 | 0 | 0 | 113.3 | D1993 | D1993-Q2034 WeakPolarHBondContact CA-O 3.16Å; D1993-Q2034 VanDerWaalsContact CB-O 3.25Å; D1993-Q2034 WeakPolarHBondContact CB-O 3.49Å |
| 2035 | N | 77.5 | Confident | 81.4 | Confident | 89 Ų | 89 | 44 Ų | 44 | 48% | 0.476 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 9.6 | -174.2 | -59.2 | 8 | 0 | 0 | 0 | 112.5 | G1990 H1991 E1992 S2033 | G1990-N2035 CarbonylContact C-O 3.28Å; H1991-N2035 WeakPolarHBondContact CA-O 2.97Å; H1991-N2035 PolarHBondContact N-O 3.02Å; E1992-N2035 PolarHBondContact N-O 3.09Å; E1992-N2035 VanDerWaalsContact N-O 3.08Å; E1992-N2035 CarbonylContact O-C 3.19Å; S2033-N2035 PolarHBondContact O-N 3.18Å; S2033-N2035 PolarHBondContact OG-N 3.27Å |
| 2036 | S | 82.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 152.1 | -180 | 64 | 0 | 0 | 0 | 0 | 112.9 | K1989 E1992 L2032 S2033 | K1989-S2036 VanDerWaalsContact O-CA 3.3Å; K1989-S2036 WeakPolarHBondContact O-CA 3.27Å; K1989-S2036 WeakPolarHBondContact O-CB 3.4Å; E1992-S2036 PolarHBondContact O-N 3.27Å; L2032-S2036 PolarHBondContact N-O 3.28Å; S2033-S2036 PolarHBondContact N-O 3.05Å; S2033-S2036 PolarHBondContact OG-N 3.39Å; S2033-S2036 PolarHBondContact OG-OG 3.36Å |
| 2037 | G | 82.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | 177.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K1989 I2030 | K1989-G2037 PolarHBondContact N-O 2.79Å; K1989-G2037 PolarHBondContact O-N 3.49Å; K1989-G2037 VanDerWaalsContact O-N 3.09Å; I2030-G2037 CarbonylContact O-C 3.08Å; I2030-G2037 VanDerWaalsContact O-CA 3.23Å; I2030-G2037 WeakPolarHBondContact O-CA 3.41Å |
| 2038 | L | 84.4 | Confident | 81.9 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131.2 | 178.4 | -74.5 | 165.6 | 0 | 0 | 0 | 109.9 | L1818 P1943 F1986 L1988 I2029 I2030 L2032 | L1818-L2038 HydrophobicContact CD1-CD1 3.81Å; P1943-L2038 HydrophobicContact CB-CD1 4.49Å; P1943-L2038 HydrophobicContact CG-CD1 4.24Å; F1986-L2038 HydrophobicContact CB-CD2 3.77Å; F1986-L2038 HydrophobicContact CD1-CB 4.46Å; F1986-L2038 HydrophobicContact CG-CD2 4.34Å; L1988-L2038 HydrophobicContact CB-CD2 4.06Å; L1988-L2038 HydrophobicContact CD1-CD2 3.79Å; L1988-L2038 HydrophobicContact CD1-CG 4.08Å; I2029-L2038 CarbonylContact C-O 3.54Å; I2029-L2038 WeakPolarHBondContact CA-O 3.33Å; I2030-L2038 HydrophobicContact CB-CB 4.4Å; I2030-L2038 PolarHBondContact N-O 2.95Å; I2030-L2038 PolarHBondContact O-N 2.75Å; L2032-L2038 HydrophobicContact CD1-CD1 4.37Å; L2032-L2038 HydrophobicContact CD1-CG 4.06Å; L2032-L2038 HydrophobicContact CD2-CD1 4.46Å |
| 2039 | I | 87.2 | Confident | 82.2 | Confident | 18 Ų | 18 | 40 Ų | 40 | 9% | 0.092 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.8 | 171.7 | -58.6 | 178.3 | 0 | 0 | 0 | 107.5 | F1986 L1987 K1989 Y2027 S2028 W2041 | F1986-I2039 CarbonylContact C-O 3.5Å; F1986-I2039 WeakPolarHBondContact CA-O 3.34Å; L1987-I2039 HydrophobicContact CB-CB 4.29Å; L1987-I2039 PolarHBondContact N-O 2.93Å; L1987-I2039 PolarHBondContact O-N 3.28Å; K1989-I2039 HydrophobicContact CD-CD1 3.61Å; K1989-I2039 HydrophobicContact CG-CD1 3.94Å; Y2027-I2039 HydrophobicContact CD2-CG2 3.64Å; Y2027-I2039 HydrophobicContact CE2-CG2 3.7Å; S2028-I2039 CarbonylContact O-C 3.59Å; I2039-W2041 PolarHBondContact O-N 2.91Å |
| 2040 | G | 86.4 | Confident | 82.4 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 9% | 0.093 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 127.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S2028 M2042 | S2028-G2040 PolarHBondContact O-N 3.47Å; S2028-G2040 WeakPolarHBondContact OG-CA 3.36Å; G2040-M2042 PolarHBondContact O-N 2.85Å |
| 2041 | W | 86.2 | Confident | 82.8 | Confident | 91 Ų | 91 | 37.8 Ų | 37.8 | 35% | 0.345 | 21% | 0.205 | S | C | . | . | trans | -71.4 | 125.7 | 177.5 | -178.7 | -90 | 0 | 0 | 0 | 109.4 | I1965 K1973 W1985 L1987 I2039 P2043 | I1965-W2041 HydrophobicContact CD1-CH2 4.41Å; I1965-W2041 HydrophobicContact CD1-CZ3 3.93Å; K1973-W2041 HydrophobicContact CD-CZ3 4.5Å; W1985-W2041 HydrophobicContact CB-CB 3.47Å; W1985-W2041 VanDerWaalsContact CB-CB 3.47Å; W1985-W2041 HydrophobicContact CB-CG 3.83Å; W1985-W2041 WeakPolarHBondContact O-CB 3.48Å; W1985-W2041 PolarHBondContact O-N 3.04Å; L1987-W2041 HydrophobicContact CD1-CE3 4.37Å; L1987-W2041 HydrophobicContact CD1-CZ3 4.17Å; I2039-W2041 PolarHBondContact O-N 2.91Å; W2041-P2043 WeakPolarHBondContact O-CD 3.43Å | ||
| 2042 | M | 82.3 | Confident | 83.3 | Confident | 39 Ų | 39 | 36 Ų | 36 | 19% | 0.192 | 19% | 0.194 | C | C | . | . | trans | -76.9 | 112.4 | 173.9 | -73.9 | -66.5 | -69 | 0 | 0 | 109.8 | Y2027 G2040 C2045 V2156 | Y2027-M2042 HydrophobicContact CD1-CG 4.1Å; Y2027-M2042 HydrophobicContact CD1-SD 4.23Å; Y2027-M2042 HydrophobicContact CG-CG 4.4Å; Y2027-M2042 HydrophobicContact CG-SD 4.49Å; G2040-M2042 PolarHBondContact O-N 2.85Å; M2042-C2045 HydrophobicContact CB-CB 4.14Å; M2042-V2156 HydrophobicContact CE-CG1 4.49Å; M2042-V2156 HydrophobicContact CE-CG2 4.29Å | ||
| 2043 | P | 75.5 | Confident | 83.9 | Confident | 84 Ų | 84 | 38.8 Ų | 38.8 | 55% | 0.545 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 151.4 | 175.9 | 30.1 | -33.9 | 0 | 0 | 0 | 109.9 | W2041 C2045 | W2041-P2043 WeakPolarHBondContact O-CD 3.43Å; P2043-C2045 PolarHBondContact O-N 2.88Å; P2043-C2045 PolarHBondContact O-SG 3.23Å; P2043-C2045 VanDerWaalsContact O-SG 3.38Å |
| 2044 | N | 77.3 | Confident | 84.3 | Confident | 56 Ų | 56 | 40 Ų | 40 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 19.1 | 174.1 | -58.8 | -40.1 | 0 | 0 | 0 | 117.2 | R2150 M2151 | N2044-R2150 VanDerWaalsContact O-CB 3.27Å; N2044-R2150 WeakPolarHBondContact O-CB 3.25Å; N2044-R2150 WeakPolarHBondContact O-CG 3.45Å; N2044-R2150 PolarHBondContact O-N 3.17Å; N2044-R2150 PolarHBondContact O-NE 2.95Å; N2044-R2150 PolarHBondContact OD1-NH2 2.93Å; N2044-M2151 HydrophobicContact CB-CG 4.25Å |
| 2045 | C | 83.8 | Confident | 84.9 | Confident | 10 Ų | 10 | 34.8 Ų | 34.8 | 7% | 0.068 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 137.7 | 177.6 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | M2042 P2043 M2147 L2148 | M2042-C2045 HydrophobicContact CB-CB 4.14Å; P2043-C2045 PolarHBondContact O-N 2.88Å; P2043-C2045 PolarHBondContact O-SG 3.23Å; P2043-C2045 VanDerWaalsContact O-SG 3.38Å; C2045-M2147 HydrophobicContact CB-CB 4.33Å; C2045-M2147 HydrophobicContact CB-CE 3.48Å; C2045-M2147 VanDerWaalsContact CB-CE 3.48Å; C2045-M2147 HydrophobicContact CB-SD 4.35Å; C2045-M2147 WeakPolarHBondContact O-CE 3.35Å; C2045-L2148 WeakPolarHBondContact CA-O 3.37Å |
| 2046 | D | 86.2 | Confident | 85.4 | Confident | 47 Ų | 47 | 30.8 Ų | 30.8 | 25% | 0.251 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144 | 173.7 | -66.3 | -45.2 | 0 | 0 | 0 | 109.9 | L2051 M2147 L2148 R2150 | D2046-L2051 HydrophobicContact CB-CD1 4.16Å; D2046-L2051 HydrophobicContact CB-CD2 3.87Å; D2046-L2051 HydrophobicContact CB-CG 3.79Å; D2046-M2147 CarbonylContact O-C 3.43Å; D2046-M2147 VanDerWaalsContact O-CA 3.3Å; D2046-M2147 WeakPolarHBondContact O-CA 3.28Å; D2046-L2148 PolarHBondContact N-O 2.71Å; D2046-L2148 VanDerWaalsContact N-O 3.09Å; D2046-L2148 PolarHBondContact O-N 3.05Å; D2046-R2150 IonicContact OD1-NH1 2.83Å; D2046-R2150 VanDerWaalsContact OD2-CD 3.25Å; D2046-R2150 WeakPolarHBondContact OD2-CD 3.29Å; D2046-R2150 IonicContact OD2-NE 3.07Å; D2046-R2150 IonicContact OD2-NH1 2.67Å |
| 2047 | T | 90 | Very high | 85.6 | Confident | 36 Ų | 36 | 36.9 Ų | 36.9 | 22% | 0.221 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 145.9 | 173.7 | 62.2 | 0 | 0 | 0 | 0 | 110.8 | H2049 A2050 L2051 S2144 L2146 M2147 | T2047-H2049 PolarHBondContact O-N 3.41Å; T2047-A2050 PolarHBondContact O-N 3.33Å; T2047-A2050 WeakPolarHBondContact OG1-CB 3.46Å; T2047-A2050 PolarHBondContact OG1-N 3.42Å; T2047-L2051 PolarHBondContact O-N 2.88Å; T2047-S2144 WeakPolarHBondContact CG2-O 3.4Å; T2047-L2146 CarbonylContact C-O 3.55Å; T2047-L2146 WeakPolarHBondContact CA-O 3.38Å; T2047-M2147 HydrophobicContact CG2-CG 4.08Å |
| 2048 | L | 89.3 | Confident | 85.4 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.7 | -38.4 | 177.7 | -147.8 | 93.8 | 0 | 0 | 0 | 111.3 | L2051 L2052 L2101 P2143 L2146 L2185 | L2048-L2051 PolarHBondContact O-N 3.3Å; L2048-L2052 HydrophobicContact CD2-CD1 4.17Å; L2048-L2052 HydrophobicContact CG-CD1 4.38Å; L2048-L2052 WeakPolarHBondContact O-CB 2.88Å; L2048-L2052 WeakPolarHBondContact O-CG 3.06Å; L2048-L2052 PolarHBondContact O-N 2.92Å; L2048-L2101 HydrophobicContact CD1-CD1 4.08Å; L2048-L2101 HydrophobicContact CD1-CD2 4.16Å; L2048-P2143 HydrophobicContact CB-CB 4.35Å; L2048-P2143 WeakPolarHBondContact CB-O 3.3Å; L2048-P2143 PolarHBondContact N-O 3.23Å; L2048-L2146 HydrophobicContact CB-CB 4.35Å; L2048-L2146 PolarHBondContact N-O 2.9Å; L2048-L2185 HydrophobicContact CD1-CD2 4.44Å; L2048-L2185 HydrophobicContact CD2-CD2 3.94Å |
| 2049 | H | 90 | Very high | 85.2 | Confident | 52 Ų | 52 | 46.9 Ų | 46.9 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 174.7 | -173.4 | 83.7 | 0 | 0 | 0 | 112.7 | T2047 L2052 R2053 P2143 W2335 | T2047-H2049 PolarHBondContact O-N 3.41Å; H2049-L2052 PolarHBondContact O-N 3.24Å; H2049-R2053 WeakPolarHBondContact O-CB 2.93Å; H2049-R2053 PolarHBondContact O-N 3Å; H2049-P2143 HydrophobicContact CB-CB 4.2Å; H2049-P2143 PolarHBondContact N-O 3.45Å; H2049-W2335 AromaticContact ND1-CH2 3.46Å; H2049-W2335 WeakPolarHBondContact ND1-CH2 3.4Å |
| 2050 | A | 88.1 | Confident | 85.2 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T2047 L2052 R2053 D2054 | T2047-A2050 PolarHBondContact O-N 3.33Å; T2047-A2050 WeakPolarHBondContact OG1-CB 3.46Å; T2047-A2050 PolarHBondContact OG1-N 3.42Å; A2050-L2052 VanDerWaalsContact C-N 3.34Å; A2050-L2052 PolarHBondContact O-N 3.38Å; A2050-R2053 PolarHBondContact O-N 3.11Å; A2050-D2054 WeakPolarHBondContact O-CB 3.41Å; A2050-D2054 PolarHBondContact O-N 3.14Å |
| 2051 | L | 86.8 | Confident | 85.2 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 178.1 | -70.3 | 168.6 | 0 | 0 | 0 | 112.2 | D2046 T2047 L2048 Y2055 K2108 L2148 | D2046-L2051 HydrophobicContact CB-CD1 4.16Å; D2046-L2051 HydrophobicContact CB-CD2 3.87Å; D2046-L2051 HydrophobicContact CB-CG 3.79Å; T2047-L2051 PolarHBondContact O-N 2.88Å; L2048-L2051 PolarHBondContact O-N 3.3Å; L2051-Y2055 WeakPolarHBondContact O-CB 3.17Å; L2051-Y2055 PolarHBondContact O-N 3.32Å; L2051-Y2055 VanDerWaalsContact O-N 3.12Å; L2051-K2108 HydrophobicContact CD2-CD 3.95Å; L2051-K2108 VanDerWaalsContact CD2-CE 3.43Å; L2051-L2148 HydrophobicContact CD1-CB 3.84Å; L2051-L2148 HydrophobicContact CD1-CD2 4.28Å |
| 2052 | L | 88.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.2 | -40.8 | 179.3 | -78 | 162.9 | 0 | 0 | 0 | 112.6 | L2048 H2049 A2050 R2056 D2100 I2104 M2184 W2335 | L2048-L2052 HydrophobicContact CD2-CD1 4.17Å; L2048-L2052 HydrophobicContact CG-CD1 4.38Å; L2048-L2052 WeakPolarHBondContact O-CB 2.88Å; L2048-L2052 WeakPolarHBondContact O-CG 3.06Å; L2048-L2052 PolarHBondContact O-N 2.92Å; H2049-L2052 PolarHBondContact O-N 3.24Å; A2050-L2052 VanDerWaalsContact C-N 3.34Å; A2050-L2052 PolarHBondContact O-N 3.38Å; L2052-R2056 WeakPolarHBondContact O-CB 3.37Å; L2052-R2056 WeakPolarHBondContact O-CG 3.48Å; L2052-R2056 PolarHBondContact O-N 3.06Å; L2052-D2100 HydrophobicContact CD2-CB 3.54Å; L2052-I2104 HydrophobicContact CD2-CD1 3.96Å; L2052-I2104 HydrophobicContact CG-CD1 4.41Å; L2052-M2184 HydrophobicContact CD1-SD 3.73Å; L2052-M2184 HydrophobicContact CD2-CE 4.32Å; L2052-M2184 HydrophobicContact CD2-SD 3.5Å; L2052-M2184 VanDerWaalsContact CD2-SD 3.5Å; L2052-M2184 HydrophobicContact CG-SD 4.26Å; L2052-W2335 HydrophobicContact CD1-CD2 4.16Å; L2052-W2335 HydrophobicContact CD1-CE3 3.52Å; L2052-W2335 HydrophobicContact CD1-CH2 4.27Å; L2052-W2335 HydrophobicContact CD1-CZ3 3.56Å |
| 2053 | R | 88.7 | Confident | 85.5 | Confident | 92 Ų | 92 | 58 Ų | 58 | 35% | 0.347 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.8 | -50.7 | 176.2 | 179.3 | -173.7 | 62 | -150.7 | -5.2 | 110.9 | H2049 A2050 Y2055 R2056 E2057 L2063 | H2049-R2053 WeakPolarHBondContact O-CB 2.93Å; H2049-R2053 PolarHBondContact O-N 3Å; A2050-R2053 PolarHBondContact O-N 3.11Å; R2053-Y2055 VanDerWaalsContact C-N 3.33Å; R2053-Y2055 PolarHBondContact O-N 3.05Å; R2053-R2056 PolarHBondContact O-N 2.92Å; R2053-E2057 HydrophobicContact CG-CG 4.39Å; R2053-E2057 WeakPolarHBondContact O-CB 3.42Å; R2053-E2057 WeakPolarHBondContact O-CG 3.36Å; R2053-E2057 PolarHBondContact O-N 2.86Å; R2053-L2063 HydrophobicContact CB-CD1 4.11Å; R2053-L2063 HydrophobicContact CG-CD2 4.37Å |
| 2054 | D | 84 | Confident | 86.1 | Confident | 70 Ų | 70 | 58.4 Ų | 58.4 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | -176.5 | -62.4 | -1.6 | 0 | 0 | 0 | 110.7 | A2050 K2058 | A2050-D2054 WeakPolarHBondContact O-CB 3.41Å; A2050-D2054 PolarHBondContact O-N 3.14Å; D2054-K2058 WeakPolarHBondContact O-CB 3.35Å; D2054-K2058 PolarHBondContact O-N 2.93Å; D2054-K2058 VanDerWaalsContact O-N 3.14Å |
| 2055 | Y | 85.7 | Confident | 86.7 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 3% | 0.027 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 174.9 | 174 | -100.3 | 0 | 0 | 0 | 113 | L2051 R2053 K2058 K2059 D2100 R2103 I2104 L2107 | L2051-Y2055 WeakPolarHBondContact O-CB 3.17Å; L2051-Y2055 PolarHBondContact O-N 3.32Å; L2051-Y2055 VanDerWaalsContact O-N 3.12Å; R2053-Y2055 VanDerWaalsContact C-N 3.33Å; R2053-Y2055 PolarHBondContact O-N 3.05Å; Y2055-K2058 PolarHBondContact O-N 3.46Å; Y2055-K2059 HydrophobicContact CD2-CG 4.45Å; Y2055-K2059 HydrophobicContact CE2-CG 3.98Å; Y2055-K2059 PolarHBondContact O-N 2.99Å; Y2055-D2100 HydrophobicContact CD1-CB 4.09Å; Y2055-D2100 HydrophobicContact CE1-CB 3.94Å; Y2055-R2103 HydrophobicContact CE2-CB 4.39Å; Y2055-R2103 VanDerWaalsContact OH-CD 3.24Å; Y2055-R2103 WeakPolarHBondContact OH-CD 3.49Å; Y2055-I2104 HydrophobicContact CD1-CD1 4.17Å; Y2055-I2104 HydrophobicContact CD1-CG1 4.26Å; Y2055-I2104 HydrophobicContact CD2-CD1 4.45Å; Y2055-I2104 HydrophobicContact CD2-CG1 3.75Å; Y2055-I2104 HydrophobicContact CE2-CG1 4.43Å; Y2055-I2104 HydrophobicContact CG-CD1 3.84Å; Y2055-I2104 HydrophobicContact CG-CG1 3.65Å; Y2055-L2107 HydrophobicContact CD2-CD1 4.41Å; Y2055-L2107 HydrophobicContact CE2-CD1 3.89Å |
| 2056 | R | 88.4 | Confident | 87 | Confident | 6 Ų | 6 | 58 Ų | 58 | 2% | 0.023 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.9 | -42.7 | -178.5 | -77.2 | -171.7 | 175.8 | -166.3 | -5.9 | 111.8 | L2052 R2053 K2058 K2059 K2060 I2061 L2063 E2066 D2100 | L2052-R2056 WeakPolarHBondContact O-CB 3.37Å; L2052-R2056 WeakPolarHBondContact O-CG 3.48Å; L2052-R2056 PolarHBondContact O-N 3.06Å; R2053-R2056 PolarHBondContact O-N 2.92Å; R2056-K2058 VanDerWaalsContact C-N 3.33Å; R2056-K2058 PolarHBondContact O-N 3.09Å; R2056-K2059 CarbonylContact O-C 3.59Å; R2056-K2059 PolarHBondContact O-N 3.47Å; R2056-K2060 PolarHBondContact O-N 3.19Å; R2056-I2061 CarbonylContact C-O 3.55Å; R2056-I2061 HydrophobicContact CB-CB 4.16Å; R2056-I2061 HydrophobicContact CG-CB 4.14Å; R2056-I2061 HydrophobicContact CG-CG2 4.17Å; R2056-I2061 PolarHBondContact O-N 3.46Å; R2056-L2063 PolarHBondContact NH1-O 2.84Å; R2056-E2066 IonicContact CZ-OE1 3.32Å; R2056-E2066 IonicContact CZ-OE2 3.05Å; R2056-E2066 IonicContact NH1-OE1 2.98Å; R2056-E2066 PolarHBondContact NH1-OE1 3.32Å; R2056-E2066 IonicContact NH1-OE2 3.5Å; R2056-E2066 PolarHBondContact NH1-OE2 3Å; R2056-E2066 IonicContact NH2-OE1 3.97Å; R2056-E2066 PolarHBondContact NH2-OE1 3.23Å; R2056-E2066 IonicContact NH2-OE2 3.55Å; R2056-D2100 IonicContact CZ-OD2 2.75Å; R2056-D2100 VanDerWaalsContact CZ-OD2 3.25Å; R2056-D2100 IonicContact NE-OD2 3.88Å; R2056-D2100 PolarHBondContact NE-OD2 3.39Å; R2056-D2100 IonicContact NH2-OD2 2.71Å; R2056-D2100 PolarHBondContact NH2-OD2 3.05Å |
| 2057 | E | 85.9 | Confident | 87.1 | Confident | 128 Ų | 128 | 57.9 Ų | 57.9 | 60% | 0.598 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -58.7 | -44.6 | 174.9 | -77.1 | -178.9 | -177 | 0 | 0 | 111.3 | R2053 K2060 | R2053-E2057 HydrophobicContact CG-CG 4.39Å; R2053-E2057 WeakPolarHBondContact O-CB 3.42Å; R2053-E2057 WeakPolarHBondContact O-CG 3.36Å; R2053-E2057 PolarHBondContact O-N 2.86Å; E2057-K2060 PolarHBondContact O-N 3.35Å |
| 2058 | K | 77.6 | Confident | 87 | Confident | 91 Ų | 91 | 61.3 Ų | 61.3 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 178.5 | -168.9 | 171 | -177.4 | 179.8 | 0 | 112.8 | W832 E833 E1259 D2054 Y2055 R2056 K2060 | W832-K2058 PolarHBondContact O-NZ 3.35Å; E833-K2058 HydrophobicContact CG-CD 4.33Å; E1259-K2058 WeakPolarHBondContact OE1-CE 3.44Å; E1259-K2058 IonicContact OE1-NZ 2.75Å; E1259-K2058 PolarHBondContact OE1-NZ 3.35Å; D2054-K2058 WeakPolarHBondContact O-CB 3.35Å; D2054-K2058 PolarHBondContact O-N 2.93Å; D2054-K2058 VanDerWaalsContact O-N 3.14Å; Y2055-K2058 PolarHBondContact O-N 3.46Å; R2056-K2058 VanDerWaalsContact C-N 3.33Å; R2056-K2058 PolarHBondContact O-N 3.09Å; K2058-K2060 PolarHBondContact O-N 2.98Å |
| 2059 | K | 81.7 | Confident | 87 | Confident | 120 Ų | 120 | 62.4 Ų | 62.4 | 52% | 0.522 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 3.1 | 175.7 | -69.9 | -67.3 | -175.4 | -177 | 0 | 113.7 | Y2055 R2056 I2061 | Y2055-K2059 HydrophobicContact CD2-CG 4.45Å; Y2055-K2059 HydrophobicContact CE2-CG 3.98Å; Y2055-K2059 PolarHBondContact O-N 2.99Å; R2056-K2059 CarbonylContact O-C 3.59Å; R2056-K2059 PolarHBondContact O-N 3.47Å; K2059-I2061 HydrophobicContact CB-CD1 3.92Å; K2059-I2061 HydrophobicContact CB-CG1 4.02Å; K2059-I2061 PolarHBondContact O-N 2.96Å |
| 2060 | K | 85.5 | Confident | 86.9 | Confident | 197 Ų | 197 | 60.2 Ų | 60.2 | 86% | 0.857 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 32.1 | -176.2 | -55.7 | -172.8 | 178.9 | -178.7 | 0 | 113.5 | R2056 E2057 K2058 | R2056-K2060 PolarHBondContact O-N 3.19Å; E2057-K2060 PolarHBondContact O-N 3.35Å; K2058-K2060 PolarHBondContact O-N 2.98Å |
| 2061 | I | 86.5 | Confident | 86.8 | Confident | 65 Ų | 65 | 64 Ų | 64 | 33% | 0.333 | 30% | 0.299 | S | S | . | . | trans | -90.9 | 136.4 | 173.1 | -58.4 | 172.5 | 0 | 0 | 0 | 107.7 | R2056 K2059 L2063 | R2056-I2061 CarbonylContact C-O 3.55Å; R2056-I2061 HydrophobicContact CB-CB 4.16Å; R2056-I2061 HydrophobicContact CG-CB 4.14Å; R2056-I2061 HydrophobicContact CG-CG2 4.17Å; R2056-I2061 PolarHBondContact O-N 3.46Å; K2059-I2061 HydrophobicContact CB-CD1 3.92Å; K2059-I2061 HydrophobicContact CB-CG1 4.02Å; K2059-I2061 PolarHBondContact O-N 2.96Å; I2061-L2063 PolarHBondContact O-N 3.17Å | ||
| 2062 | L | 88.5 | Confident | 86.9 | Confident | 88 Ų | 88 | 73.6 Ų | 73.6 | 46% | 0.461 | 34% | 0.335 | S | S | . | . | trans | -69.3 | 131 | 178.6 | -140 | 89.9 | 0 | 0 | 0 | 110.4 | N2064 I2065 K2068 | L2062-N2064 VanDerWaalsContact C-N 3.26Å; L2062-N2064 PolarHBondContact O-N 3.15Å; L2062-I2065 HydrophobicContact CB-CB 4.36Å; L2062-I2065 HydrophobicContact CB-CD1 4.45Å; L2062-I2065 PolarHBondContact O-N 3.36Å; L2062-K2068 HydrophobicContact CD2-CD 3.66Å | ||
| 2063 | L | 87.2 | Confident | 86.8 | Confident | 41 Ų | 41 | 77.5 Ų | 77.5 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -38.8 | -177.4 | -174 | 63.1 | 0 | 0 | 0 | 113.1 | R2053 R2056 I2061 | R2053-L2063 HydrophobicContact CB-CD1 4.11Å; R2053-L2063 HydrophobicContact CG-CD2 4.37Å; R2056-L2063 PolarHBondContact NH1-O 2.84Å; I2061-L2063 PolarHBondContact O-N 3.17Å |
| 2064 | N | 89 | Confident | 86.6 | Confident | 92 Ų | 92 | 73.9 Ų | 73.9 | 49% | 0.492 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 31.8 | -172.2 | -49 | -6.4 | 0 | 0 | 0 | 111.9 | L2062 E2066 H2067 K2068 | L2062-N2064 VanDerWaalsContact C-N 3.26Å; L2062-N2064 PolarHBondContact O-N 3.15Å; N2064-E2066 VanDerWaalsContact C-N 3.33Å; N2064-E2066 PolarHBondContact O-N 3.23Å; N2064-H2067 HydrophobicContact CB-CB 4.45Å; N2064-H2067 PolarHBondContact O-N 3.04Å; N2064-K2068 PolarHBondContact O-N 2.75Å |
| 2065 | I | 89.8 | Confident | 86.4 | Confident | 56 Ų | 56 | 75.5 Ų | 75.5 | 29% | 0.287 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.1 | -42.8 | -172.7 | -171.6 | 69.7 | 0 | 0 | 0 | 112.3 | L2062 K2068 L2069 T2096 | L2062-I2065 HydrophobicContact CB-CB 4.36Å; L2062-I2065 HydrophobicContact CB-CD1 4.45Å; L2062-I2065 PolarHBondContact O-N 3.36Å; I2065-K2068 PolarHBondContact O-N 2.69Å; I2065-L2069 HydrophobicContact CG1-CD1 4.37Å; I2065-L2069 WeakPolarHBondContact O-CG 3.41Å; I2065-L2069 PolarHBondContact O-N 3.26Å; I2065-T2096 HydrophobicContact CG2-CG2 4.29Å |
| 2066 | E | 89 | Confident | 86.3 | Confident | 1 Ų | 1 | 80.2 Ų | 80.2 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.2 | -49.8 | -180 | -60.6 | 83.5 | 174.7 | 0 | 0 | 111 | R2056 N2064 K2068 L2069 M2070 T2096 F2334 | R2056-E2066 IonicContact CZ-OE1 3.32Å; R2056-E2066 IonicContact CZ-OE2 3.05Å; R2056-E2066 IonicContact NH1-OE1 2.98Å; R2056-E2066 PolarHBondContact NH1-OE1 3.32Å; R2056-E2066 IonicContact NH1-OE2 3.5Å; R2056-E2066 PolarHBondContact NH1-OE2 3Å; R2056-E2066 IonicContact NH2-OE1 3.97Å; R2056-E2066 PolarHBondContact NH2-OE1 3.23Å; R2056-E2066 IonicContact NH2-OE2 3.55Å; N2064-E2066 VanDerWaalsContact C-N 3.33Å; N2064-E2066 PolarHBondContact O-N 3.23Å; E2066-K2068 VanDerWaalsContact C-N 3.28Å; E2066-K2068 PolarHBondContact O-N 3.5Å; E2066-L2069 WeakPolarHBondContact O-CB 3.39Å; E2066-L2069 PolarHBondContact O-N 3.04Å; E2066-L2069 VanDerWaalsContact O-N 3.11Å; E2066-M2070 WeakPolarHBondContact O-CG 3.47Å; E2066-M2070 PolarHBondContact O-N 3.43Å; E2066-T2096 HydrophobicContact CG-CG2 4.14Å; E2066-F2334 HydrophobicContact CB-CB 3.99Å; E2066-F2334 HydrophobicContact CB-CD1 4.47Å; E2066-F2334 HydrophobicContact CB-CD2 3.31Å; E2066-F2334 HydrophobicContact CB-CE2 3.85Å; E2066-F2334 HydrophobicContact CB-CG 3.67Å; E2066-F2334 HydrophobicContact CG-CB 4.22Å; E2066-F2334 HydrophobicContact CG-CD2 3.61Å; E2066-F2334 HydrophobicContact CG-CE2 4.37Å; E2066-F2334 HydrophobicContact CG-CG 4.19Å |
| 2067 | H | 87.9 | Confident | 85.9 | Confident | 46 Ų | 46 | 81.5 Ų | 81.5 | 21% | 0.213 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58 | -42.9 | 176.3 | -169.8 | 135.8 | 0 | 0 | 0 | 110.7 | N2064 L2069 M2070 Q2071 V2329 F2334 | N2064-H2067 HydrophobicContact CB-CB 4.45Å; N2064-H2067 PolarHBondContact O-N 3.04Å; H2067-L2069 VanDerWaalsContact C-N 3.3Å; H2067-L2069 PolarHBondContact O-N 3.17Å; H2067-M2070 WeakPolarHBondContact O-CB 3.46Å; H2067-M2070 PolarHBondContact O-N 2.95Å; H2067-Q2071 PolarHBondContact CD2-NE2 3.03Å; H2067-Q2071 PolarHBondContact NE2-NE2 2.8Å; H2067-Q2071 PolarHBondContact O-N 3.28Å; H2067-V2329 VanDerWaalsContact CE1-CG2 3.45Å; H2067-V2329 WeakPolarHBondContact CE1-CG2 3.34Å; H2067-V2329 VanDerWaalsContact ND1-CG2 3.34Å; H2067-V2329 WeakPolarHBondContact ND1-CG2 3.5Å; H2067-F2334 HydrophobicContact CB-CZ 4.31Å |
| 2068 | K | 88.2 | Confident | 85.5 | Confident | 108 Ų | 108 | 80.6 Ų | 80.6 | 47% | 0.47 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.8 | -35.8 | 178.1 | -115.9 | -177.7 | -177.2 | 177.7 | 0 | 112.9 | L2062 N2064 I2065 E2066 R2072 | L2062-K2068 HydrophobicContact CD2-CD 3.66Å; N2064-K2068 PolarHBondContact O-N 2.75Å; I2065-K2068 PolarHBondContact O-N 2.69Å; E2066-K2068 VanDerWaalsContact C-N 3.28Å; E2066-K2068 PolarHBondContact O-N 3.5Å; K2068-R2072 WeakPolarHBondContact O-CB 3.23Å; K2068-R2072 PolarHBondContact O-N 2.86Å |
| 2069 | L | 89 | Confident | 85.8 | Confident | 28 Ų | 28 | 84 Ų | 84 | 15% | 0.147 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.4 | -43.5 | 174.3 | -71.4 | 166.2 | 0 | 0 | 0 | 110.8 | I2065 E2066 H2067 R2072 M2073 A2092 H2095 T2096 | I2065-L2069 HydrophobicContact CG1-CD1 4.37Å; I2065-L2069 WeakPolarHBondContact O-CG 3.41Å; I2065-L2069 PolarHBondContact O-N 3.26Å; E2066-L2069 WeakPolarHBondContact O-CB 3.39Å; E2066-L2069 PolarHBondContact O-N 3.04Å; E2066-L2069 VanDerWaalsContact O-N 3.11Å; H2067-L2069 VanDerWaalsContact C-N 3.3Å; H2067-L2069 PolarHBondContact O-N 3.17Å; L2069-R2072 WeakPolarHBondContact O-CB 3.43Å; L2069-R2072 PolarHBondContact O-N 3.21Å; L2069-M2073 PolarHBondContact O-N 3.37Å; L2069-A2092 HydrophobicContact CB-CB 4.23Å; L2069-H2095 HydrophobicContact CD1-CB 3.93Å; L2069-T2096 HydrophobicContact CD1-CG2 3.79Å |
| 2070 | M | 87.6 | Confident | 86 | Confident | 5 Ų | 5 | 80 Ų | 80 | 3% | 0.025 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60 | -47.8 | 174.7 | -63.5 | 172.9 | 69.9 | 0 | 0 | 111.7 | E2066 H2067 R2072 M2073 S2074 F2077 V2088 F2089 A2092 F2334 | E2066-M2070 WeakPolarHBondContact O-CG 3.47Å; E2066-M2070 PolarHBondContact O-N 3.43Å; H2067-M2070 WeakPolarHBondContact O-CB 3.46Å; H2067-M2070 PolarHBondContact O-N 2.95Å; M2070-R2072 VanDerWaalsContact C-N 3.3Å; M2070-R2072 PolarHBondContact O-N 3.34Å; M2070-M2073 PolarHBondContact O-N 3.1Å; M2070-M2073 VanDerWaalsContact O-N 3.12Å; M2070-S2074 PolarHBondContact O-N 3.45Å; M2070-F2077 HydrophobicContact CE-CD1 4.13Å; M2070-F2077 HydrophobicContact CE-CD2 3.57Å; M2070-F2077 HydrophobicContact CE-CE1 3.78Å; M2070-F2077 HydrophobicContact CE-CE2 3.16Å; M2070-F2077 HydrophobicContact CE-CG 4.04Å; M2070-F2077 HydrophobicContact CE-CZ 3.29Å; M2070-V2088 HydrophobicContact CB-CG1 3.77Å; M2070-V2088 HydrophobicContact CE-CG1 4.41Å; M2070-V2088 HydrophobicContact CG-CG1 4.09Å; M2070-F2089 HydrophobicContact CE-CD2 4.02Å; M2070-F2089 HydrophobicContact SD-CD2 4.32Å; M2070-A2092 HydrophobicContact CG-CB 3.52Å; M2070-A2092 HydrophobicContact SD-CB 4.39Å; M2070-F2334 HydrophobicContact SD-CD1 4.09Å |
| 2071 | Q | 87.8 | Confident | 86.2 | Confident | 96 Ų | 96 | 74.5 Ų | 74.5 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.4 | -32.6 | 177.1 | -83.4 | -177.8 | -15.3 | 0 | 0 | 113.3 | H2067 M2073 S2074 | H2067-Q2071 PolarHBondContact CD2-NE2 3.03Å; H2067-Q2071 PolarHBondContact NE2-NE2 2.8Å; H2067-Q2071 PolarHBondContact O-N 3.28Å; Q2071-M2073 VanDerWaalsContact C-N 3.3Å; Q2071-S2074 WeakPolarHBondContact CA-O 3.24Å; Q2071-S2074 CarbonylContact O-C 3.37Å |
| 2072 | R | 87.4 | Confident | 86.1 | Confident | 207 Ų | 207 | 74 Ų | 74 | 78% | 0.781 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.2 | -36.1 | 173.9 | -95.8 | -175.3 | -171.9 | 166.1 | 2.2 | 112.2 | K2068 L2069 M2070 | K2068-R2072 WeakPolarHBondContact O-CB 3.23Å; K2068-R2072 PolarHBondContact O-N 2.86Å; L2069-R2072 WeakPolarHBondContact O-CB 3.43Å; L2069-R2072 PolarHBondContact O-N 3.21Å; M2070-R2072 VanDerWaalsContact C-N 3.3Å; M2070-R2072 PolarHBondContact O-N 3.34Å |
| 2073 | M | 86.6 | Confident | 86.1 | Confident | 83 Ų | 83 | 74.9 Ų | 74.9 | 41% | 0.409 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -78.6 | -42.8 | 178.6 | -169.5 | 174.3 | -177.6 | 0 | 0 | 111.4 | L2069 M2070 Q2071 E2087 V2088 H2091 | L2069-M2073 PolarHBondContact O-N 3.37Å; M2070-M2073 PolarHBondContact O-N 3.1Å; M2070-M2073 VanDerWaalsContact O-N 3.12Å; Q2071-M2073 VanDerWaalsContact C-N 3.3Å; M2073-E2087 HydrophobicContact CE-CG 4.22Å; M2073-V2088 HydrophobicContact CB-CG1 4.39Å; M2073-V2088 HydrophobicContact CG-CG2 4.27Å; M2073-V2088 HydrophobicContact SD-CB 4.33Å; M2073-V2088 HydrophobicContact SD-CG1 4.49Å; M2073-V2088 HydrophobicContact SD-CG2 4.05Å; M2073-H2091 HydrophobicContact CE-CB 4.37Å; M2073-H2091 HydrophobicContact SD-CB 3.56Å; M2073-H2091 VanDerWaalsContact SD-CB 3.56Å; M2073-H2091 VanDerWaalsContact SD-CD2 3.58Å; M2073-H2091 VanDerWaalsContact SD-CG 3.57Å |
| 2074 | S | 85.2 | Confident | 86.2 | Confident | 17 Ų | 17 | 77.2 Ų | 77.2 | 12% | 0.119 | 39% | 0.387 | C | S | . | . | trans | -144.5 | 114.6 | 177.1 | 163.5 | 0 | 0 | 0 | 0 | 110.9 | M2070 Q2071 D2076 | M2070-S2074 PolarHBondContact O-N 3.45Å; Q2071-S2074 WeakPolarHBondContact CA-O 3.24Å; Q2071-S2074 CarbonylContact O-C 3.37Å; S2074-D2076 VanDerWaalsContact C-N 3.3Å; S2074-D2076 PolarHBondContact O-N 2.97Å | ||
| 2075 | P | 81 | Confident | 86.2 | Confident | 103 Ų | 103 | 74 Ų | 74 | 67% | 0.669 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -31.3 | 178 | 24.2 | -30.9 | 0 | 0 | 0 | 112.9 | F2077 | P2075-F2077 PolarHBondContact O-N 3.44Š|
| 2076 | D | 82.5 | Confident | 86.1 | Confident | 107 Ų | 107 | 72.6 Ų | 72.6 | 57% | 0.572 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 52.3 | -177.3 | -69.6 | -35.5 | 0 | 0 | 0 | 112.9 | S2074 E2078 H2079 | S2074-D2076 VanDerWaalsContact C-N 3.3Å; S2074-D2076 PolarHBondContact O-N 2.97Å; D2076-E2078 PolarHBondContact O-N 3.29Å; D2076-E2078 VanDerWaalsContact O-N 3.12Å; D2076-H2079 PolarHBondContact O-N 2.96Å |
| 2077 | F | 80.7 | Confident | 86.1 | Confident | 32 Ų | 32 | 78.4 Ų | 78.4 | 14% | 0.14 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -52.7 | -35.2 | -178.4 | 178.3 | -101.2 | 0 | 0 | 0 | 113.9 | M2070 P2075 H2079 L2080 K2085 V2088 | M2070-F2077 HydrophobicContact CE-CD1 4.13Å; M2070-F2077 HydrophobicContact CE-CD2 3.57Å; M2070-F2077 HydrophobicContact CE-CE1 3.78Å; M2070-F2077 HydrophobicContact CE-CE2 3.16Å; M2070-F2077 HydrophobicContact CE-CG 4.04Å; M2070-F2077 HydrophobicContact CE-CZ 3.29Å; P2075-F2077 PolarHBondContact O-N 3.44Å; F2077-H2079 PolarHBondContact O-N 2.96Å; F2077-L2080 HydrophobicContact CD2-CD1 4.01Å; F2077-L2080 WeakPolarHBondContact O-CB 3.4Å; F2077-L2080 PolarHBondContact O-N 3.2Å; F2077-K2085 HydrophobicContact CD2-CG 4.38Å; F2077-K2085 HydrophobicContact CE1-CD 4.48Å; F2077-K2085 HydrophobicContact CE2-CB 3.89Å; F2077-K2085 HydrophobicContact CE2-CG 3.81Å; F2077-K2085 HydrophobicContact CZ-CB 4.05Å; F2077-K2085 HydrophobicContact CZ-CD 4.15Å; F2077-K2085 HydrophobicContact CZ-CG 3.93Å; F2077-K2085 WeakPolarHBondContact O-CE 3.49Å; F2077-V2088 HydrophobicContact CD2-CB 4.26Å; F2077-V2088 HydrophobicContact CD2-CG1 3.91Å; F2077-V2088 HydrophobicContact CE2-CB 4.33Å; F2077-V2088 HydrophobicContact CE2-CG1 4.27Å |
| 2078 | E | 77.7 | Confident | 86.1 | Confident | 110 Ų | 110 | 76.6 Ų | 76.6 | 51% | 0.514 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -65.4 | -33.4 | -174.4 | -67.7 | -173.6 | 168.4 | 0 | 0 | 114 | D2076 K2085 | D2076-E2078 PolarHBondContact O-N 3.29Å; D2076-E2078 VanDerWaalsContact O-N 3.12Å; E2078-K2085 WeakPolarHBondContact O-CE 3.42Å; E2078-K2085 PolarHBondContact O-NZ 2.77Å |
| 2079 | H | 83.8 | Confident | 86.1 | Confident | 163 Ų | 163 | 71.6 Ų | 71.6 | 76% | 0.755 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -90.8 | -0.7 | -175.9 | -62.1 | 100.4 | 0 | 0 | 0 | 113.9 | D2076 F2077 | D2076-H2079 PolarHBondContact O-N 2.96Å; F2077-H2079 PolarHBondContact O-N 2.96Å |
| 2080 | L | 84.8 | Confident | 86.1 | Confident | 36 Ų | 36 | 74 Ų | 74 | 19% | 0.188 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -68.6 | 149 | 178.3 | -65.9 | 179.9 | 0 | 0 | 0 | 112 | F2077 Q2084 K2085 V2088 | F2077-L2080 HydrophobicContact CD2-CD1 4.01Å; F2077-L2080 WeakPolarHBondContact O-CB 3.4Å; F2077-L2080 PolarHBondContact O-N 3.2Å; L2080-Q2084 HydrophobicContact CB-CB 4.02Å; L2080-Q2084 HydrophobicContact CD1-CB 4.36Å; L2080-Q2084 HydrophobicContact CD2-CB 4.21Å; L2080-Q2084 HydrophobicContact CG-CB 4.43Å; L2080-K2085 HydrophobicContact CB-CG 3.6Å; L2080-K2085 HydrophobicContact CD1-CG 4.41Å; L2080-K2085 VanDerWaalsContact O-CE 3.26Å; L2080-K2085 WeakPolarHBondContact O-CE 3.21Å; L2080-V2088 HydrophobicContact CD1-CG2 3.91Å |
| 2081 | T | 89.6 | Confident | 86 | Confident | 81 Ų | 81 | 76.7 Ų | 76.7 | 50% | 0.497 | 38% | 0.382 | S | S | . | . | trans | -64.1 | 158 | 167.3 | 63.5 | 0 | 0 | 0 | 0 | 110.5 | V2083 Q2084 K2085 | T2081-V2083 VanDerWaalsContact C-N 3.27Å; T2081-V2083 PolarHBondContact O-N 3.07Å; T2081-Q2084 VanDerWaalsContact N-OE1 3.14Å; T2081-Q2084 PolarHBondContact O-N 3.34Å; T2081-Q2084 VanDerWaalsContact O-N 3.14Å; T2081-Q2084 VanDerWaalsContact OG1-CD 3.26Å; T2081-Q2084 WeakPolarHBondContact OG1-CG 3.44Å; T2081-Q2084 PolarHBondContact OG1-N 3.05Å; T2081-Q2084 PolarHBondContact OG1-OE1 3.02Å; T2081-K2085 WeakPolarHBondContact O-CG 3.45Å; T2081-K2085 PolarHBondContact O-N 3.29Å | ||
| 2082 | V | 85.7 | Confident | 86 | Confident | 53 Ų | 53 | 72.1 Ų | 72.1 | 32% | 0.321 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.4 | -43.1 | -178.4 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | Q2084 K2085 I2086 E2322 Q2326 | V2082-Q2084 PolarHBondContact O-N 3.3Å; V2082-K2085 WeakPolarHBondContact O-CB 3.02Å; V2082-K2085 PolarHBondContact O-N 3.07Å; V2082-I2086 HydrophobicContact CG1-CD1 4.34Å; V2082-I2086 VanDerWaalsContact O-CG1 3.3Å; V2082-I2086 WeakPolarHBondContact O-CG1 3.3Å; V2082-I2086 PolarHBondContact O-N 2.74Å; V2082-E2322 HydrophobicContact CG1-CG 4.46Å; V2082-Q2326 HydrophobicContact CG1-CG 4.48Å; V2082-Q2326 HydrophobicContact CG2-CG 4.19Å |
| 2083 | V | 88.3 | Confident | 85.9 | Confident | 108 Ų | 108 | 63.5 Ų | 63.5 | 66% | 0.655 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.8 | -44.3 | 179.1 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | T2081 K2085 I2086 E2087 | T2081-V2083 VanDerWaalsContact C-N 3.27Å; T2081-V2083 PolarHBondContact O-N 3.07Å; V2083-K2085 VanDerWaalsContact C-N 3.33Å; V2083-K2085 PolarHBondContact O-N 3.47Å; V2083-I2086 WeakPolarHBondContact O-CB 3.48Å; V2083-I2086 PolarHBondContact O-N 3.03Å; V2083-E2087 PolarHBondContact O-N 2.8Å |
| 2084 | Q | 89.1 | Confident | 85.7 | Confident | 89 Ų | 89 | 66.9 Ų | 66.9 | 42% | 0.416 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.2 | -35.9 | 175.8 | -71.3 | 166.9 | -32.8 | 0 | 0 | 112 | L2080 T2081 V2082 I2086 E2087 V2088 | L2080-Q2084 HydrophobicContact CB-CB 4.02Å; L2080-Q2084 HydrophobicContact CD1-CB 4.36Å; L2080-Q2084 HydrophobicContact CD2-CB 4.21Å; L2080-Q2084 HydrophobicContact CG-CB 4.43Å; T2081-Q2084 VanDerWaalsContact N-OE1 3.14Å; T2081-Q2084 PolarHBondContact O-N 3.34Å; T2081-Q2084 VanDerWaalsContact O-N 3.14Å; T2081-Q2084 VanDerWaalsContact OG1-CD 3.26Å; T2081-Q2084 WeakPolarHBondContact OG1-CG 3.44Å; T2081-Q2084 PolarHBondContact OG1-N 3.05Å; T2081-Q2084 PolarHBondContact OG1-OE1 3.02Å; V2082-Q2084 PolarHBondContact O-N 3.3Å; Q2084-I2086 VanDerWaalsContact C-N 3.32Å; Q2084-E2087 PolarHBondContact O-N 2.93Å; Q2084-V2088 WeakPolarHBondContact O-CG2 3.4Å; Q2084-V2088 PolarHBondContact O-N 3.25Å; Q2084-V2088 VanDerWaalsContact O-N 3.13Å |
| 2085 | K | 88.4 | Confident | 85.8 | Confident | 26 Ų | 26 | 71.5 Ų | 71.5 | 11% | 0.113 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 173.9 | -73.9 | -177.1 | 172.5 | 168.9 | 0 | 111.5 | F2077 E2078 L2080 T2081 V2082 V2083 F2089 C2325 | F2077-K2085 HydrophobicContact CD2-CG 4.38Å; F2077-K2085 HydrophobicContact CE1-CD 4.48Å; F2077-K2085 HydrophobicContact CE2-CB 3.89Å; F2077-K2085 HydrophobicContact CE2-CG 3.81Å; F2077-K2085 HydrophobicContact CZ-CB 4.05Å; F2077-K2085 HydrophobicContact CZ-CD 4.15Å; F2077-K2085 HydrophobicContact CZ-CG 3.93Å; F2077-K2085 WeakPolarHBondContact O-CE 3.49Å; E2078-K2085 WeakPolarHBondContact O-CE 3.42Å; E2078-K2085 PolarHBondContact O-NZ 2.77Å; L2080-K2085 HydrophobicContact CB-CG 3.6Å; L2080-K2085 HydrophobicContact CD1-CG 4.41Å; L2080-K2085 VanDerWaalsContact O-CE 3.26Å; L2080-K2085 WeakPolarHBondContact O-CE 3.21Å; T2081-K2085 WeakPolarHBondContact O-CG 3.45Å; T2081-K2085 PolarHBondContact O-N 3.29Å; V2082-K2085 WeakPolarHBondContact O-CB 3.02Å; V2082-K2085 PolarHBondContact O-N 3.07Å; V2083-K2085 VanDerWaalsContact C-N 3.33Å; V2083-K2085 PolarHBondContact O-N 3.47Å; K2085-F2089 WeakPolarHBondContact O-CB 3.27Å; K2085-F2089 PolarHBondContact O-N 2.99Å; K2085-C2325 HydrophobicContact CB-CB 4.05Å |
| 2086 | I | 88.3 | Confident | 86 | Confident | 25 Ų | 25 | 67.7 Ų | 67.7 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 176 | -63.9 | 161.5 | 0 | 0 | 0 | 110 | V2082 V2083 Q2084 V2088 F2089 E2090 H2321 E2322 | V2082-I2086 HydrophobicContact CG1-CD1 4.34Å; V2082-I2086 VanDerWaalsContact O-CG1 3.3Å; V2082-I2086 WeakPolarHBondContact O-CG1 3.3Å; V2082-I2086 PolarHBondContact O-N 2.74Å; V2083-I2086 WeakPolarHBondContact O-CB 3.48Å; V2083-I2086 PolarHBondContact O-N 3.03Å; Q2084-I2086 VanDerWaalsContact C-N 3.32Å; I2086-V2088 PolarHBondContact O-N 2.87Å; I2086-F2089 WeakPolarHBondContact O-CB 3.21Å; I2086-F2089 PolarHBondContact O-N 3.28Å; I2086-F2089 VanDerWaalsContact O-N 3.13Å; I2086-E2090 HydrophobicContact CG2-CG 4.05Å; I2086-E2090 WeakPolarHBondContact O-CB 3.35Å; I2086-E2090 WeakPolarHBondContact O-CG 3.43Å; I2086-E2090 PolarHBondContact O-N 2.89Å; I2086-H2321 HydrophobicContact CG2-CB 4.44Å; I2086-E2322 HydrophobicContact CD1-CB 4.47Å; I2086-E2322 HydrophobicContact CD1-CG 3.45Å; I2086-E2322 VanDerWaalsContact CD1-CG 3.45Å; I2086-E2322 HydrophobicContact CG1-CG 4.32Å |
| 2087 | E | 87.6 | Confident | 85.8 | Confident | 124 Ų | 124 | 66.4 Ų | 66.4 | 58% | 0.579 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.8 | -46.4 | -178.2 | -168.6 | 178.6 | -165.8 | 0 | 0 | 112 | M2073 V2083 Q2084 F2089 H2091 | M2073-E2087 HydrophobicContact CE-CG 4.22Å; V2083-E2087 PolarHBondContact O-N 2.8Å; Q2084-E2087 PolarHBondContact O-N 2.93Å; E2087-F2089 VanDerWaalsContact C-N 3.33Å; E2087-F2089 PolarHBondContact O-N 3.36Å; E2087-H2091 WeakPolarHBondContact O-CB 3.34Å; E2087-H2091 PolarHBondContact O-N 3.2Å |
| 2088 | V | 88.8 | Confident | 85.8 | Confident | 8 Ų | 8 | 65 Ų | 65 | 5% | 0.048 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.5 | -37.3 | 176.3 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | M2070 M2073 F2077 L2080 Q2084 I2086 A2092 | M2070-V2088 HydrophobicContact CB-CG1 3.77Å; M2070-V2088 HydrophobicContact CE-CG1 4.41Å; M2070-V2088 HydrophobicContact CG-CG1 4.09Å; M2073-V2088 HydrophobicContact CB-CG1 4.39Å; M2073-V2088 HydrophobicContact CG-CG2 4.27Å; M2073-V2088 HydrophobicContact SD-CB 4.33Å; M2073-V2088 HydrophobicContact SD-CG1 4.49Å; M2073-V2088 HydrophobicContact SD-CG2 4.05Å; F2077-V2088 HydrophobicContact CD2-CB 4.26Å; F2077-V2088 HydrophobicContact CD2-CG1 3.91Å; F2077-V2088 HydrophobicContact CE2-CB 4.33Å; F2077-V2088 HydrophobicContact CE2-CG1 4.27Å; L2080-V2088 HydrophobicContact CD1-CG2 3.91Å; Q2084-V2088 WeakPolarHBondContact O-CG2 3.4Å; Q2084-V2088 PolarHBondContact O-N 3.25Å; Q2084-V2088 VanDerWaalsContact O-N 3.13Å; I2086-V2088 PolarHBondContact O-N 2.87Å; V2088-A2092 PolarHBondContact O-N 3.37Å |
| 2089 | F | 89 | Confident | 86.1 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.009 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.2 | -50.6 | 179.2 | -172.7 | -106.4 | 0 | 0 | 0 | 111 | M2070 K2085 I2086 E2087 H2091 A2092 L2093 L2324 C2325 P2333 F2334 | M2070-F2089 HydrophobicContact CE-CD2 4.02Å; M2070-F2089 HydrophobicContact SD-CD2 4.32Å; K2085-F2089 WeakPolarHBondContact O-CB 3.27Å; K2085-F2089 PolarHBondContact O-N 2.99Å; I2086-F2089 WeakPolarHBondContact O-CB 3.21Å; I2086-F2089 PolarHBondContact O-N 3.28Å; I2086-F2089 VanDerWaalsContact O-N 3.13Å; E2087-F2089 VanDerWaalsContact C-N 3.33Å; E2087-F2089 PolarHBondContact O-N 3.36Å; F2089-H2091 VanDerWaalsContact C-N 3.31Å; F2089-H2091 PolarHBondContact O-N 3.38Å; F2089-A2092 PolarHBondContact O-N 3.43Å; F2089-A2092 VanDerWaalsContact O-N 3.11Å; F2089-L2093 HydrophobicContact CD1-CD1 3.82Å; F2089-L2093 HydrophobicContact CD1-CG 4.32Å; F2089-L2093 HydrophobicContact CE1-CD1 3.62Å; F2089-L2093 HydrophobicContact CE1-CD2 4.39Å; F2089-L2093 HydrophobicContact CE1-CG 4.25Å; F2089-L2093 HydrophobicContact CZ-CD1 4.37Å; F2089-L2093 HydrophobicContact CZ-CD2 4.36Å; F2089-L2093 WeakPolarHBondContact O-CG 3.31Å; F2089-L2093 PolarHBondContact O-N 3.41Å; F2089-L2093 VanDerWaalsContact O-N 3.08Å; F2089-L2324 HydrophobicContact CE1-CB 4.22Å; F2089-L2324 HydrophobicContact CZ-CB 4.17Å; F2089-C2325 HydrophobicContact CB-CB 4.13Å; F2089-C2325 HydrophobicContact CD1-CB 4.42Å; F2089-C2325 HydrophobicContact CD2-CB 4.46Å; F2089-C2325 HydrophobicContact CG-CB 4.12Å; F2089-P2333 HydrophobicContact CE2-CB 3.99Å; F2089-P2333 HydrophobicContact CE2-CG 3.98Å; F2089-P2333 HydrophobicContact CZ-CB 4.07Å; F2089-F2334 HydrophobicContact CE2-CB 3.77Å; F2089-F2334 HydrophobicContact CE2-CD1 4.42Å; F2089-F2334 HydrophobicContact CZ-CB 4.29Å |
| 2090 | E | 87.1 | Confident | 86.2 | Confident | 79 Ų | 79 | 53.3 Ų | 53.3 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.3 | -41 | 177.3 | -74 | -176 | 162.2 | 0 | 0 | 111.9 | I2086 A2092 L2093 E2094 H2321 | I2086-E2090 HydrophobicContact CG2-CG 4.05Å; I2086-E2090 WeakPolarHBondContact O-CB 3.35Å; I2086-E2090 WeakPolarHBondContact O-CG 3.43Å; I2086-E2090 PolarHBondContact O-N 2.89Å; E2090-A2092 VanDerWaalsContact C-N 3.29Å; E2090-A2092 PolarHBondContact O-N 3.43Å; E2090-L2093 WeakPolarHBondContact O-CB 3.33Å; E2090-L2093 PolarHBondContact O-N 3.36Å; E2090-E2094 PolarHBondContact O-N 2.8Å; E2090-H2321 IonicContact OE1-CE1 2.63Å; E2090-H2321 IonicContact OE1-CG 2.74Å; E2090-H2321 IonicContact OE1-ND1 3.6Å; E2090-H2321 PolarHBondContact OE1-ND1 3.16Å |
| 2091 | H | 87.6 | Confident | 86.4 | Confident | 62 Ų | 62 | 51.6 Ų | 51.6 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.6 | -42.4 | 174.9 | -178.6 | 68.9 | 0 | 0 | 0 | 112.7 | M2073 E2087 F2089 H2095 | M2073-H2091 HydrophobicContact CE-CB 4.37Å; M2073-H2091 HydrophobicContact SD-CB 3.56Å; M2073-H2091 VanDerWaalsContact SD-CB 3.56Å; M2073-H2091 VanDerWaalsContact SD-CD2 3.58Å; M2073-H2091 VanDerWaalsContact SD-CG 3.57Å; E2087-H2091 WeakPolarHBondContact O-CB 3.34Å; E2087-H2091 PolarHBondContact O-N 3.2Å; F2089-H2091 VanDerWaalsContact C-N 3.31Å; F2089-H2091 PolarHBondContact O-N 3.38Å; H2091-H2095 AromaticContact CE1-CE1 3.19Å; H2091-H2095 PolarHBondContact CE1-CE1 3.35Å; H2091-H2095 AromaticContact CE1-ND1 3.64Å; H2091-H2095 AromaticContact ND1-CE1 3.54Å; H2091-H2095 AromaticContact ND1-ND1 3.79Å; H2091-H2095 AromaticContact NE2-CE1 3.9Å; H2091-H2095 PolarHBondContact O-N 3.46Å; H2091-H2095 PolarHBondContact O-ND1 2.8Å |
| 2092 | A | 86.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.7 | -35.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L2069 M2070 V2088 F2089 E2090 T2096 | L2069-A2092 HydrophobicContact CB-CB 4.23Å; M2070-A2092 HydrophobicContact CG-CB 3.52Å; M2070-A2092 HydrophobicContact SD-CB 4.39Å; V2088-A2092 PolarHBondContact O-N 3.37Å; F2089-A2092 PolarHBondContact O-N 3.43Å; F2089-A2092 VanDerWaalsContact O-N 3.11Å; E2090-A2092 VanDerWaalsContact C-N 3.29Å; E2090-A2092 PolarHBondContact O-N 3.43Å; A2092-T2096 PolarHBondContact O-OG1 3Å |
| 2093 | L | 85.3 | Confident | 86.1 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 13% | 0.131 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 177.1 | -60.4 | -178.8 | 0 | 0 | 0 | 112.1 | F2089 E2090 H2095 T2096 R2183 F2334 | F2089-L2093 HydrophobicContact CD1-CD1 3.82Å; F2089-L2093 HydrophobicContact CD1-CG 4.32Å; F2089-L2093 HydrophobicContact CE1-CD1 3.62Å; F2089-L2093 HydrophobicContact CE1-CD2 4.39Å; F2089-L2093 HydrophobicContact CE1-CG 4.25Å; F2089-L2093 HydrophobicContact CZ-CD1 4.37Å; F2089-L2093 HydrophobicContact CZ-CD2 4.36Å; F2089-L2093 WeakPolarHBondContact O-CG 3.31Å; F2089-L2093 PolarHBondContact O-N 3.41Å; F2089-L2093 VanDerWaalsContact O-N 3.08Å; E2090-L2093 WeakPolarHBondContact O-CB 3.33Å; E2090-L2093 PolarHBondContact O-N 3.36Å; L2093-H2095 VanDerWaalsContact C-N 3.27Å; L2093-H2095 PolarHBondContact O-N 2.94Å; L2093-T2096 PolarHBondContact O-N 3.36Å; L2093-R2183 VanDerWaalsContact CD2-CZ 3.44Å; L2093-R2183 PolarHBondContact O-NH1 3.18Å; L2093-F2334 HydrophobicContact CD2-CB 4.14Å |
| 2094 | E | 83 | Confident | 86 | Confident | 154 Ų | 154 | 48.2 Ų | 48.2 | 72% | 0.72 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63.3 | -32.8 | 178.5 | -74.6 | -179.2 | 167 | 0 | 0 | 112.8 | E2090 T2096 | E2090-E2094 PolarHBondContact O-N 2.8Å; E2094-T2096 VanDerWaalsContact C-N 3.33Å; E2094-T2096 PolarHBondContact O-N 3.5Å |
| 2095 | H | 86.1 | Confident | 85.8 | Confident | 115 Ų | 115 | 44.2 Ų | 44.2 | 53% | 0.532 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 2.2 | -177.6 | -70.2 | 80.5 | 0 | 0 | 0 | 113.9 | L2069 H2091 L2093 | L2069-H2095 HydrophobicContact CD1-CB 3.93Å; H2091-H2095 AromaticContact CE1-CE1 3.19Å; H2091-H2095 PolarHBondContact CE1-CE1 3.35Å; H2091-H2095 AromaticContact CE1-ND1 3.64Å; H2091-H2095 AromaticContact ND1-CE1 3.54Å; H2091-H2095 AromaticContact ND1-ND1 3.79Å; H2091-H2095 AromaticContact NE2-CE1 3.9Å; H2091-H2095 PolarHBondContact O-N 3.46Å; H2091-H2095 PolarHBondContact O-ND1 2.8Å; L2093-H2095 VanDerWaalsContact C-N 3.27Å; L2093-H2095 PolarHBondContact O-N 2.94Å |
| 2096 | T | 86.2 | Confident | 85.6 | Confident | 22 Ų | 22 | 43.6 Ų | 43.6 | 14% | 0.135 | 21% | 0.206 | C | C | . | . | trans | -139.4 | 144.4 | -176 | 53.5 | 0 | 0 | 0 | 0 | 111.1 | I2065 E2066 L2069 A2092 L2093 E2094 R2183 | I2065-T2096 HydrophobicContact CG2-CG2 4.29Å; E2066-T2096 HydrophobicContact CG-CG2 4.14Å; L2069-T2096 HydrophobicContact CD1-CG2 3.79Å; A2092-T2096 PolarHBondContact O-OG1 3Å; L2093-T2096 PolarHBondContact O-N 3.36Å; E2094-T2096 VanDerWaalsContact C-N 3.33Å; E2094-T2096 PolarHBondContact O-N 3.5Å; T2096-R2183 PolarHBondContact O-NH1 3.19Å; T2096-R2183 PolarHBondContact OG1-NH2 3.31Å | ||
| 2097 | T | 78.4 | Confident | 85.1 | Confident | 81 Ų | 81 | 44.4 Ų | 44.4 | 50% | 0.497 | 21% | 0.21 | S | C | . | . | trans | -84.1 | -37.2 | -170 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | D2099 | T2097-D2099 VanDerWaalsContact C-N 3.32Š| ||
| 2098 | G | 80.4 | Confident | 84.6 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | trans | 74.5 | 16.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | M2184 | G2098-M2184 WeakPolarHBondContact O-CA 3.19Å; G2098-M2184 WeakPolarHBondContact O-CB 3.35Å; G2098-M2184 WeakPolarHBondContact O-CG 3.05Å | ||
| 2099 | D | 83.1 | Confident | 84 | Confident | 18 Ų | 18 | 39.3 Ų | 39.3 | 10% | 0.096 | 19% | 0.186 | C | C | . | . | trans | -89.5 | 1 | -174.7 | -78.1 | -4 | 0 | 0 | 0 | 114.6 | T2097 L2101 R2102 R2103 | T2097-D2099 VanDerWaalsContact C-N 3.32Å; D2099-L2101 PolarHBondContact O-N 3.08Å; D2099-R2102 WeakPolarHBondContact O-CB 3.48Å; D2099-R2102 PolarHBondContact O-N 3.43Å; D2099-R2102 IonicContact OD1-CZ 3.12Å; D2099-R2102 IonicContact OD1-NH2 3.04Å; D2099-R2102 IonicContact OD2-CZ 3.72Å; D2099-R2102 IonicContact OD2-NH2 3.36Å; D2099-R2102 PolarHBondContact OD2-NH2 3.29Å; D2099-R2103 PolarHBondContact O-N 2.91Å | ||
| 2100 | D | 87.7 | Confident | 83 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.2 | -49.3 | -167.9 | -63.1 | -11.2 | 0 | 0 | 0 | 111.4 | L2052 Y2055 R2056 R2102 R2103 I2104 M2184 | L2052-D2100 HydrophobicContact CD2-CB 3.54Å; Y2055-D2100 HydrophobicContact CD1-CB 4.09Å; Y2055-D2100 HydrophobicContact CE1-CB 3.94Å; R2056-D2100 IonicContact CZ-OD2 2.75Å; R2056-D2100 VanDerWaalsContact CZ-OD2 3.25Å; R2056-D2100 IonicContact NE-OD2 3.88Å; R2056-D2100 PolarHBondContact NE-OD2 3.39Å; R2056-D2100 IonicContact NH2-OD2 2.71Å; R2056-D2100 PolarHBondContact NH2-OD2 3.05Å; D2100-R2102 PolarHBondContact O-N 3.44Å; D2100-R2103 PolarHBondContact O-N 2.83Å; D2100-I2104 VanDerWaalsContact O-CG1 3.23Å; D2100-I2104 WeakPolarHBondContact O-CG1 3.41Å; D2100-I2104 PolarHBondContact O-N 3.2Å; D2100-M2184 HydrophobicContact CB-CE 4.21Å; D2100-M2184 HydrophobicContact CB-SD 4.29Å |
| 2101 | L | 87.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.6 | -37.2 | -179.9 | -173.1 | 64 | 0 | 0 | 0 | 112.8 | L2048 D2099 R2103 I2104 L2105 Y2122 M2184 L2185 A2188 | L2048-L2101 HydrophobicContact CD1-CD1 4.08Å; L2048-L2101 HydrophobicContact CD1-CD2 4.16Å; D2099-L2101 PolarHBondContact O-N 3.08Å; L2101-R2103 VanDerWaalsContact C-N 3.31Å; L2101-R2103 PolarHBondContact O-N 3.41Å; L2101-I2104 PolarHBondContact O-N 3.22Å; L2101-L2105 PolarHBondContact O-N 3.21Å; L2101-Y2122 HydrophobicContact CD2-CE2 4.45Å; L2101-M2184 HydrophobicContact CB-CG 3.69Å; L2101-M2184 HydrophobicContact CB-SD 4.4Å; L2101-L2185 HydrophobicContact CD2-CD2 3.78Å; L2101-A2188 HydrophobicContact CB-CB 4.06Å; L2101-A2188 HydrophobicContact CD2-CB 3.72Å; L2101-A2188 HydrophobicContact CG-CB 3.74Å |
| 2102 | R | 85 | Confident | 81.9 | Confident | 42 Ų | 42 | 33.2 Ų | 33.2 | 16% | 0.158 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 174.4 | -177.7 | -179.7 | 72 | 178.3 | 2.9 | 111 | D2099 D2100 W2106 S2187 | D2099-R2102 WeakPolarHBondContact O-CB 3.48Å; D2099-R2102 PolarHBondContact O-N 3.43Å; D2099-R2102 IonicContact OD1-CZ 3.12Å; D2099-R2102 IonicContact OD1-NH2 3.04Å; D2099-R2102 IonicContact OD2-CZ 3.72Å; D2099-R2102 IonicContact OD2-NH2 3.36Å; D2099-R2102 PolarHBondContact OD2-NH2 3.29Å; D2100-R2102 PolarHBondContact O-N 3.44Å; R2102-W2106 PolarHBondContact O-N 3.12Å; R2102-S2187 WeakPolarHBondContact CD-O 3.47Å |
| 2103 | R | 84.9 | Confident | 81.3 | Confident | 126 Ų | 126 | 34.3 Ų | 34.3 | 48% | 0.475 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69.2 | -39.6 | 177.8 | -67.4 | -179.9 | -178.2 | -158.3 | 1.8 | 111.3 | Y2055 D2099 D2100 L2101 W2106 L2107 | Y2055-R2103 HydrophobicContact CE2-CB 4.39Å; Y2055-R2103 VanDerWaalsContact OH-CD 3.24Å; Y2055-R2103 WeakPolarHBondContact OH-CD 3.49Å; D2099-R2103 PolarHBondContact O-N 2.91Å; D2100-R2103 PolarHBondContact O-N 2.83Å; L2101-R2103 VanDerWaalsContact C-N 3.31Å; L2101-R2103 PolarHBondContact O-N 3.41Å; R2103-W2106 PolarHBondContact O-N 3.28Å; R2103-L2107 WeakPolarHBondContact O-CB 3.44Å; R2103-L2107 VanDerWaalsContact O-CG 3.22Å; R2103-L2107 WeakPolarHBondContact O-CG 3.38Å; R2103-L2107 PolarHBondContact O-N 3.31Å |
| 2104 | I | 85.6 | Confident | 80.9 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 176.2 | -67.9 | 163.2 | 0 | 0 | 0 | 111.1 | L2052 Y2055 D2100 L2101 W2106 L2107 K2108 | L2052-I2104 HydrophobicContact CD2-CD1 3.96Å; L2052-I2104 HydrophobicContact CG-CD1 4.41Å; Y2055-I2104 HydrophobicContact CD1-CD1 4.17Å; Y2055-I2104 HydrophobicContact CD1-CG1 4.26Å; Y2055-I2104 HydrophobicContact CD2-CD1 4.45Å; Y2055-I2104 HydrophobicContact CD2-CG1 3.75Å; Y2055-I2104 HydrophobicContact CE2-CG1 4.43Å; Y2055-I2104 HydrophobicContact CG-CD1 3.84Å; Y2055-I2104 HydrophobicContact CG-CG1 3.65Å; D2100-I2104 VanDerWaalsContact O-CG1 3.23Å; D2100-I2104 WeakPolarHBondContact O-CG1 3.41Å; D2100-I2104 PolarHBondContact O-N 3.2Å; L2101-I2104 PolarHBondContact O-N 3.22Å; I2104-W2106 VanDerWaalsContact C-N 3.26Å; I2104-W2106 PolarHBondContact O-N 2.73Å; I2104-L2107 PolarHBondContact O-N 2.87Å; I2104-L2107 VanDerWaalsContact O-N 3.14Å; I2104-K2108 HydrophobicContact CG2-CD 3.79Å; I2104-K2108 HydrophobicContact CG2-CG 4.3Å; I2104-K2108 WeakPolarHBondContact O-CB 3.38Å; I2104-K2108 PolarHBondContact O-N 3.33Å |
| 2105 | L | 84.6 | Confident | 81 | Confident | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.7 | -40.2 | 177.9 | -101.4 | 157.5 | 0 | 0 | 0 | 112 | L2101 S2109 R2118 Y2122 A2188 | L2101-L2105 PolarHBondContact O-N 3.21Å; L2105-S2109 WeakPolarHBondContact O-CB 3.37Å; L2105-S2109 PolarHBondContact O-N 3.02Å; L2105-S2109 PolarHBondContact O-OG 2.83Å; L2105-S2109 VanDerWaalsContact O-OG 3.13Å; L2105-R2118 HydrophobicContact CD2-CB 4.2Å; L2105-Y2122 HydrophobicContact CD1-CD1 4.16Å; L2105-Y2122 HydrophobicContact CD1-CG 4.29Å; L2105-A2188 HydrophobicContact CD1-CB 4Å |
| 2106 | W | 84 | Confident | 80.8 | Confident | 12 Ų | 12 | 22.3 Ų | 22.3 | 5% | 0.045 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.9 | -47.7 | 171.6 | 174.3 | -113.2 | 0 | 0 | 0 | 113.1 | E1253 D1256 H1257 R1285 R2102 R2103 I2104 K2108 S2109 W2115 | E1253-W2106 HydrophobicContact CG-CH2 4.02Å; E1253-W2106 HydrophobicContact CG-CZ2 4.35Å; D1256-W2106 HydrophobicContact CB-CZ2 4.33Å; H1257-W2106 AromaticContact CE1-CD1 3.89Å; H1257-W2106 AromaticContact CE1-CD2 3.59Å; H1257-W2106 AromaticContact CE1-CE2 3.17Å; H1257-W2106 AromaticContact CE1-CZ2 3.46Å; H1257-W2106 VanDerWaalsContact CE1-CZ2 3.46Å; H1257-W2106 WeakPolarHBondContact CE1-CZ2 3.35Å; H1257-W2106 AromaticContact CE1-NE1 3.34Å; H1257-W2106 PolarHBondContact CE1-NE1 3.47Å; H1257-W2106 VanDerWaalsContact CE1-NE1 3.34Å; H1257-W2106 PolarHBondContact CE1-O 2.81Å; H1257-W2106 VanDerWaalsContact CE1-O 3.26Å; H1257-W2106 AromaticContact ND1-CD1 3.99Å; H1257-W2106 AromaticContact ND1-CE2 3.78Å; H1257-W2106 AromaticContact ND1-NE1 3.46Å; H1257-W2106 PolarHBondContact ND1-NE1 3.41Å; H1257-W2106 AromaticContact NE2-CE2 3.81Å; H1257-W2106 AromaticContact NE2-CH2 3.93Å; H1257-W2106 AromaticContact NE2-CZ2 3.59Å; R1285-W2106 HydrophobicContact CG-CH2 4.3Å; R1285-W2106 HydrophobicContact CG-CZ3 4.44Å; R1285-W2106 VanDerWaalsContact NH1-CB 3.28Å; R2102-W2106 PolarHBondContact O-N 3.12Å; R2103-W2106 PolarHBondContact O-N 3.28Å; I2104-W2106 VanDerWaalsContact C-N 3.26Å; I2104-W2106 PolarHBondContact O-N 2.73Å; W2106-K2108 PolarHBondContact O-N 2.93Å; W2106-S2109 VanDerWaalsContact C-OG 3.3Å; W2106-S2109 VanDerWaalsContact CA-OG 3.31Å; W2106-S2109 WeakPolarHBondContact CA-OG 3.21Å; W2106-S2109 PolarHBondContact O-N 2.71Å; W2106-S2109 VanDerWaalsContact O-N 3.1Å; W2106-S2109 PolarHBondContact O-OG 3.19Å; W2106-W2115 HydrophobicContact CE3-CB 3.85Å; W2106-W2115 AromaticContact CE3-CD1 3.89Å; W2106-W2115 HydrophobicContact CE3-CD2 4.06Å; W2106-W2115 AromaticContact CE3-CG 3.62Å; W2106-W2115 HydrophobicContact CE3-CG 3.62Å; W2106-W2115 HydrophobicContact CZ3-CB 4.02Å; W2106-W2115 HydrophobicContact CZ3-CD2 4.37Å; W2106-W2115 HydrophobicContact CZ3-CG 4.11Å |
| 2107 | L | 78.8 | Confident | 80.5 | Confident | 42 Ų | 42 | 23.9 Ų | 23.9 | 22% | 0.22 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -71.8 | -13.9 | -174.8 | -68.3 | 169.8 | 0 | 0 | 0 | 112.5 | W832 Y2055 R2103 I2104 | W832-L2107 HydrophobicContact CE3-CD2 4.28Å; W832-L2107 WeakPolarHBondContact CH2-O 3.28Å; W832-L2107 VanDerWaalsContact CZ3-C 3.45Å; W832-L2107 VanDerWaalsContact CZ3-CA 3.46Å; W832-L2107 HydrophobicContact CZ3-CB 3.88Å; W832-L2107 HydrophobicContact CZ3-CD2 3.74Å; W832-L2107 HydrophobicContact CZ3-CG 4.43Å; W832-L2107 WeakPolarHBondContact CZ3-O 3.41Å; Y2055-L2107 HydrophobicContact CD2-CD1 4.41Å; Y2055-L2107 HydrophobicContact CE2-CD1 3.89Å; R2103-L2107 WeakPolarHBondContact O-CB 3.44Å; R2103-L2107 VanDerWaalsContact O-CG 3.22Å; R2103-L2107 WeakPolarHBondContact O-CG 3.38Å; R2103-L2107 PolarHBondContact O-N 3.31Å; I2104-L2107 PolarHBondContact O-N 2.87Å; I2104-L2107 VanDerWaalsContact O-N 3.14Å |
| 2108 | K | 77.1 | Confident | 80.8 | Confident | 24 Ų | 24 | 20.6 Ų | 20.6 | 10% | 0.104 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -98.1 | -14.8 | 172.1 | -70.7 | -177.1 | 180 | -90 | 0 | 112.3 | H831 E833 L2051 I2104 W2106 R2118 | H831-K2108 PolarHBondContact CE1-O 3.37Å; H831-K2108 PolarHBondContact ND1-O 3.36Å; E833-K2108 WeakPolarHBondContact OE2-CE 3.38Å; E833-K2108 IonicContact OE2-NZ 3.75Å; E833-K2108 PolarHBondContact OE2-NZ 3.43Å; L2051-K2108 HydrophobicContact CD2-CD 3.95Å; L2051-K2108 VanDerWaalsContact CD2-CE 3.43Å; I2104-K2108 HydrophobicContact CG2-CD 3.79Å; I2104-K2108 HydrophobicContact CG2-CG 4.3Å; I2104-K2108 WeakPolarHBondContact O-CB 3.38Å; I2104-K2108 PolarHBondContact O-N 3.33Å; W2106-K2108 PolarHBondContact O-N 2.93Å; K2108-R2118 PolarHBondContact O-NH1 3Å |
| 2109 | S | 76.3 | Confident | 81.1 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 9% | 0.094 | C | C | . | . | trans | -81.3 | 134.3 | 174.5 | 51 | 0 | 0 | 0 | 0 | 111.2 | H1257 L2105 W2106 W2115 | H1257-S2109 PolarHBondContact CE1-O 3.24Å; H1257-S2109 PolarHBondContact NE2-O 2.77Å; L2105-S2109 WeakPolarHBondContact O-CB 3.37Å; L2105-S2109 PolarHBondContact O-N 3.02Å; L2105-S2109 PolarHBondContact O-OG 2.83Å; L2105-S2109 VanDerWaalsContact O-OG 3.13Å; W2106-S2109 VanDerWaalsContact C-OG 3.3Å; W2106-S2109 VanDerWaalsContact CA-OG 3.31Å; W2106-S2109 WeakPolarHBondContact CA-OG 3.21Å; W2106-S2109 PolarHBondContact O-N 2.71Å; W2106-S2109 VanDerWaalsContact O-N 3.1Å; W2106-S2109 PolarHBondContact O-OG 3.19Å; S2109-W2115 VanDerWaalsContact OG-CB 3.28Å; S2109-W2115 WeakPolarHBondContact OG-CB 3.35Å | ||
| 2110 | P | 68.4 | Low | 81.2 | Confident | 10 Ų | 10 | 20.6 Ų | 20.6 | 7% | 0.065 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -73 | -26.8 | 178.2 | 24.3 | -31.3 | 0 | 0 | 0 | 114.5 | L812 V2114 | L812-P2110 HydrophobicContact CD2-CB 3.33Å; L812-P2110 HydrophobicContact CD2-CG 4.36Å; L812-P2110 HydrophobicContact CG-CB 4.4Å; P2110-V2114 HydrophobicContact CG-CB 4.04Å; P2110-V2114 HydrophobicContact CG-CG1 3.99Å; P2110-V2114 HydrophobicContact CG-CG2 4.11Å |
| 2111 | S | 72.6 | Confident | 81.2 | Confident | 4 Ų | 4 | 22 Ų | 22 | 3% | 0.028 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -150.9 | 167.6 | 179 | 64.7 | 0 | 0 | 0 | 0 | 110.2 | G811 E1253 V2114 W2115 | G811-S2111 WeakPolarHBondContact O-CB 3.47Å; G811-S2111 PolarHBondContact O-OG 2.71Å; E1253-S2111 WeakPolarHBondContact OE1-CA 3.27Å; S2111-V2114 PolarHBondContact O-N 2.98Å; S2111-V2114 WeakPolarHBondContact OG-CG2 3.25Å; S2111-W2115 VanDerWaalsContact O-CB 3.31Å; S2111-W2115 WeakPolarHBondContact O-CB 3.17Å; S2111-W2115 PolarHBondContact O-N 3.34Å |
| 2112 | S | 78.6 | Confident | 81.4 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.6 | -35.4 | -179.8 | 41.2 | 0 | 0 | 0 | 0 | 113.3 | E1253 K1282 W2115 F2116 | E1253-S2112 WeakPolarHBondContact OE1-CA 3.29Å; E1253-S2112 WeakPolarHBondContact OE1-CB 3.2Å; E1253-S2112 PolarHBondContact OE1-N 2.9Å; E1253-S2112 PolarHBondContact OE1-OG 3.42Å; K1282-S2112 WeakPolarHBondContact CG-OG 3.41Å; S2112-W2115 PolarHBondContact O-N 3.3Å; S2112-F2116 WeakPolarHBondContact O-CB 3.46Å; S2112-F2116 PolarHBondContact O-N 2.84Å |
| 2113 | E | 73.9 | Confident | 81.6 | Confident | 24 Ų | 24 | 20.1 Ų | 20.1 | 11% | 0.112 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63 | -49.1 | 170.8 | -70.5 | -69.1 | 155.6 | 0 | 0 | 110.2 | A1281 W2115 F2116 E2117 | A1281-E2113 VanDerWaalsContact CB-CD 3.47Å; A1281-E2113 HydrophobicContact CB-CG 4.02Å; A1281-E2113 WeakPolarHBondContact CB-OE1 3.49Å; E2113-W2115 PolarHBondContact O-N 2.97Å; E2113-F2116 PolarHBondContact O-N 2.93Å; E2113-E2117 WeakPolarHBondContact O-CG 3.36Å; E2113-E2117 PolarHBondContact O-N 3.39Å |
| 2114 | V | 77 | Confident | 81.7 | Confident | 18 Ų | 18 | 16 Ų | 16 | 11% | 0.109 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67 | -37.6 | 178.1 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | P2110 S2111 E2117 R2118 | P2110-V2114 HydrophobicContact CG-CB 4.04Å; P2110-V2114 HydrophobicContact CG-CG1 3.99Å; P2110-V2114 HydrophobicContact CG-CG2 4.11Å; S2111-V2114 PolarHBondContact O-N 2.98Å; S2111-V2114 WeakPolarHBondContact OG-CG2 3.25Å; V2114-E2117 PolarHBondContact O-N 3.11Å; V2114-R2118 HydrophobicContact CG1-CG 4.15Å; V2114-R2118 VanDerWaalsContact O-CB 3.25Å; V2114-R2118 WeakPolarHBondContact O-CB 3.17Å; V2114-R2118 WeakPolarHBondContact O-CG 3.37Å; V2114-R2118 PolarHBondContact O-N 3.47Å |
| 2115 | W | 84.3 | Confident | 82 | Confident | 7 Ų | 7 | 16.3 Ų | 16.3 | 3% | 0.027 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.4 | -49 | 172.6 | 169.4 | 67.8 | 0 | 0 | 0 | 111.3 | R1285 E1288 W2106 S2109 S2111 S2112 E2113 R2118 R2119 | R1285-W2115 HydrophobicContact CB-CZ3 4.18Å; E1288-W2115 WeakPolarHBondContact OE2-CH2 3.24Å; W2106-W2115 HydrophobicContact CE3-CB 3.85Å; W2106-W2115 AromaticContact CE3-CD1 3.89Å; W2106-W2115 HydrophobicContact CE3-CD2 4.06Å; W2106-W2115 AromaticContact CE3-CG 3.62Å; W2106-W2115 HydrophobicContact CE3-CG 3.62Å; W2106-W2115 HydrophobicContact CZ3-CB 4.02Å; W2106-W2115 HydrophobicContact CZ3-CD2 4.37Å; W2106-W2115 HydrophobicContact CZ3-CG 4.11Å; S2109-W2115 VanDerWaalsContact OG-CB 3.28Å; S2109-W2115 WeakPolarHBondContact OG-CB 3.35Å; S2111-W2115 VanDerWaalsContact O-CB 3.31Å; S2111-W2115 WeakPolarHBondContact O-CB 3.17Å; S2111-W2115 PolarHBondContact O-N 3.34Å; S2112-W2115 PolarHBondContact O-N 3.3Å; E2113-W2115 PolarHBondContact O-N 2.97Å; W2115-R2118 PolarHBondContact O-N 3.43Å; W2115-R2119 WeakPolarHBondContact O-CB 3.48Å; W2115-R2119 PolarHBondContact O-N 3.44Å |
| 2116 | F | 82.9 | Confident | 82.3 | Confident | 16 Ų | 16 | 16.1 Ų | 16.1 | 7% | 0.07 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 179.9 | 170.6 | -103 | 0 | 0 | 0 | 111 | A1281 L1284 L1310 L1312 S2112 E2113 R2119 T2120 | A1281-F2116 HydrophobicContact CB-CB 4.2Å; L1284-F2116 HydrophobicContact CD2-CD2 3.77Å; L1284-F2116 HydrophobicContact CD2-CE2 3.79Å; L1310-F2116 HydrophobicContact CB-CE1 4.19Å; L1310-F2116 HydrophobicContact CB-CE2 4.48Å; L1310-F2116 HydrophobicContact CB-CZ 3.71Å; L1310-F2116 HydrophobicContact CD1-CD2 4.35Å; L1310-F2116 HydrophobicContact CD1-CE1 4.41Å; L1310-F2116 HydrophobicContact CD1-CE2 3.82Å; L1310-F2116 HydrophobicContact CD1-CZ 3.82Å; L1310-F2116 HydrophobicContact CD2-CD1 4.33Å; L1310-F2116 HydrophobicContact CD2-CE1 3.92Å; L1310-F2116 HydrophobicContact CD2-CZ 4.11Å; L1310-F2116 HydrophobicContact CG-CE1 4.4Å; L1310-F2116 HydrophobicContact CG-CZ 4.09Å; L1312-F2116 HydrophobicContact CD1-CE1 4.14Å; L1312-F2116 HydrophobicContact CD1-CE2 3.44Å; L1312-F2116 VanDerWaalsContact CD1-CE2 3.44Å; L1312-F2116 HydrophobicContact CD1-CZ 3.12Å; L1312-F2116 HydrophobicContact CG-CZ 3.83Å; S2112-F2116 WeakPolarHBondContact O-CB 3.46Å; S2112-F2116 PolarHBondContact O-N 2.84Å; E2113-F2116 PolarHBondContact O-N 2.93Å; F2116-R2119 PolarHBondContact O-N 3.41Å; F2116-T2120 VanDerWaalsContact O-CB 3.31Å; F2116-T2120 WeakPolarHBondContact O-CB 3Å; F2116-T2120 PolarHBondContact O-N 3.22Å; F2116-T2120 PolarHBondContact O-OG1 3.16Å |
| 2117 | E | 79.2 | Confident | 82.7 | Confident | 55 Ų | 55 | 15.5 Ų | 15.5 | 26% | 0.257 | 8% | 0.077 | S | C | . | . | H | α-helix | trans | -63.8 | -46.7 | 175 | -72.6 | -163.9 | 157.6 | 0 | 0 | 112.6 | R797 E2113 V2114 R2119 T2120 T2121 | R797-E2117 IonicContact CZ-OE1 3.78Å; R797-E2117 IonicContact NH1-OE1 3.55Å; R797-E2117 PolarHBondContact NH1-OE1 2.92Å; R797-E2117 IonicContact NH1-OE2 3.31Å; R797-E2117 IonicContact NH2-OE1 2.82Å; R797-E2117 PolarHBondContact NH2-OE1 3.21Å; E2113-E2117 WeakPolarHBondContact O-CG 3.36Å; E2113-E2117 PolarHBondContact O-N 3.39Å; V2114-E2117 PolarHBondContact O-N 3.11Å; E2117-R2119 VanDerWaalsContact C-N 3.34Å; E2117-R2119 PolarHBondContact O-N 3.13Å; E2117-T2120 PolarHBondContact O-N 3.45Å; E2117-T2121 VanDerWaalsContact O-CB 3.22Å; E2117-T2121 WeakPolarHBondContact O-CB 3.42Å; E2117-T2121 PolarHBondContact O-N 3.17Å; E2117-T2121 PolarHBondContact O-OG1 3.28Å |
| 2118 | R | 85.2 | Confident | 83.3 | Confident | 13 Ų | 13 | 13.6 Ų | 13.6 | 5% | 0.049 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.3 | -76.5 | 179.3 | -179.5 | 177.3 | 5.6 | 111.3 | L2105 K2108 V2114 W2115 T2121 Y2122 R2150 M2151 | L2105-R2118 HydrophobicContact CD2-CB 4.2Å; K2108-R2118 PolarHBondContact O-NH1 3Å; V2114-R2118 HydrophobicContact CG1-CG 4.15Å; V2114-R2118 VanDerWaalsContact O-CB 3.25Å; V2114-R2118 WeakPolarHBondContact O-CB 3.17Å; V2114-R2118 WeakPolarHBondContact O-CG 3.37Å; V2114-R2118 PolarHBondContact O-N 3.47Å; W2115-R2118 PolarHBondContact O-N 3.43Å; R2118-T2121 PolarHBondContact O-N 3.28Å; R2118-Y2122 WeakPolarHBondContact O-CB 3.38Å; R2118-Y2122 PolarHBondContact O-N 3.49Å; R2118-R2150 PolarHBondContact NE-O 3.15Å; R2118-R2150 PolarHBondContact NH1-O 3.14Å; R2118-R2150 VanDerWaalsContact NH1-O 3.13Å; R2118-R2150 PolarHBondContact NH2-O 3.13Å; R2118-R2150 VanDerWaalsContact NH2-O 3.1Å; R2118-M2151 PolarHBondContact NE-O 3.19Å |
| 2119 | R | 87.5 | Confident | 83.9 | Confident | 11 Ų | 11 | 12.9 Ų | 12.9 | 4% | 0.042 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65 | -44.8 | 176.8 | -176.2 | -178 | 75.8 | 166.4 | -2.8 | 111.7 | E1288 W2115 F2116 E2117 T2121 Y2122 T2123 M2189 | E1288-R2119 IonicContact OE1-CZ 3.16Å; E1288-R2119 VanDerWaalsContact OE1-CZ 3.27Å; E1288-R2119 IonicContact OE1-NH1 3.93Å; E1288-R2119 PolarHBondContact OE1-NH1 2.95Å; E1288-R2119 IonicContact OE1-NH2 2.65Å; E1288-R2119 PolarHBondContact OE1-NH2 3.14Å; E1288-R2119 IonicContact OE2-CZ 2.76Å; E1288-R2119 IonicContact OE2-NH1 2.81Å; E1288-R2119 PolarHBondContact OE2-NH1 2.89Å; W2115-R2119 WeakPolarHBondContact O-CB 3.48Å; W2115-R2119 PolarHBondContact O-N 3.44Å; F2116-R2119 PolarHBondContact O-N 3.41Å; E2117-R2119 VanDerWaalsContact C-N 3.34Å; E2117-R2119 PolarHBondContact O-N 3.13Å; R2119-T2121 VanDerWaalsContact C-N 3.34Å; R2119-Y2122 PolarHBondContact O-N 3.49Å; R2119-T2123 WeakPolarHBondContact O-CB 3.14Å; R2119-T2123 PolarHBondContact O-N 3.31Å; R2119-T2123 PolarHBondContact O-OG1 3.19Å; R2119-M2189 WeakPolarHBondContact CD-O 3.46Å |
| 2120 | T | 84.9 | Confident | 84.6 | Confident | 9 Ų | 9 | 13.2 Ų | 13.2 | 6% | 0.055 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 177.6 | -56.3 | 0 | 0 | 0 | 0 | 110.4 | L1312 F2116 E2117 T2123 R2124 | L1312-T2120 HydrophobicContact CD1-CG2 4.17Å; L1312-T2120 HydrophobicContact CD2-CG2 4.09Å; F2116-T2120 VanDerWaalsContact O-CB 3.31Å; F2116-T2120 WeakPolarHBondContact O-CB 3Å; F2116-T2120 PolarHBondContact O-N 3.22Å; F2116-T2120 PolarHBondContact O-OG1 3.16Å; E2117-T2120 PolarHBondContact O-N 3.45Å; T2120-T2123 PolarHBondContact O-N 2.93Å; T2120-R2124 WeakPolarHBondContact O-CB 3.47Å; T2120-R2124 VanDerWaalsContact O-CG 3.31Å; T2120-R2124 WeakPolarHBondContact O-CG 3.43Å; T2120-R2124 PolarHBondContact O-N 3.05Å |
| 2121 | T | 87.3 | Confident | 85.7 | Confident | 40 Ų | 40 | 12.7 Ų | 12.7 | 25% | 0.245 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -67.4 | -40.4 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | E2117 R2118 R2119 S2125 S2152 K2154 | E2117-T2121 VanDerWaalsContact O-CB 3.22Å; E2117-T2121 WeakPolarHBondContact O-CB 3.42Å; E2117-T2121 PolarHBondContact O-N 3.17Å; E2117-T2121 PolarHBondContact O-OG1 3.28Å; R2118-T2121 PolarHBondContact O-N 3.28Å; R2119-T2121 VanDerWaalsContact C-N 3.34Å; T2121-S2125 WeakPolarHBondContact O-CB 3.42Å; T2121-S2125 PolarHBondContact O-N 2.62Å; T2121-S2125 PolarHBondContact O-OG 3.25Å; T2121-S2152 WeakPolarHBondContact CB-O 3.23Å; T2121-S2152 VanDerWaalsContact CG2-O 3.3Å; T2121-S2152 WeakPolarHBondContact CG2-O 3.33Å; T2121-K2154 HydrophobicContact CG2-CB 4.48Å; T2121-K2154 HydrophobicContact CG2-CD 4.39Å; T2121-K2154 HydrophobicContact CG2-CG 3.4Å |
| 2122 | Y | 90.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.2 | -51.1 | 171.9 | 165.3 | -103.7 | 0 | 0 | 0 | 110.8 | L2101 L2105 R2118 R2119 R2124 S2125 L2126 L2148 G2153 M2155 L2185 A2188 M2189 | L2101-Y2122 HydrophobicContact CD2-CE2 4.45Å; L2105-Y2122 HydrophobicContact CD1-CD1 4.16Å; L2105-Y2122 HydrophobicContact CD1-CG 4.29Å; R2118-Y2122 WeakPolarHBondContact O-CB 3.38Å; R2118-Y2122 PolarHBondContact O-N 3.49Å; R2119-Y2122 PolarHBondContact O-N 3.49Å; Y2122-R2124 PolarHBondContact O-N 2.7Å; Y2122-S2125 PolarHBondContact O-N 3.13Å; Y2122-S2125 PolarHBondContact O-OG 3.32Å; Y2122-L2126 HydrophobicContact CE1-CD2 4.2Å; Y2122-L2126 HydrophobicContact CE2-CD2 4.25Å; Y2122-L2126 WeakPolarHBondContact O-CB 3.4Å; Y2122-L2126 PolarHBondContact O-N 3.02Å; Y2122-L2148 HydrophobicContact CD2-CD1 3.53Å; Y2122-L2148 HydrophobicContact CE2-CD1 3.93Å; Y2122-G2153 WeakPolarHBondContact CA-O 3.46Å; Y2122-G2153 WeakPolarHBondContact CB-O 3.48Å; Y2122-M2155 HydrophobicContact CD2-CB 4.49Å; Y2122-L2185 WeakPolarHBondContact OH-CA 3.41Å; Y2122-L2185 VanDerWaalsContact OH-CD2 3.26Å; Y2122-L2185 WeakPolarHBondContact OH-CD2 3.49Å; Y2122-L2185 PolarHBondContact OH-O 3.06Å; Y2122-A2188 HydrophobicContact CE1-CB 3.78Å; Y2122-M2189 HydrophobicContact CE1-CG 4.17Å |
| 2123 | T | 89.4 | Confident | 87.1 | Confident | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.006 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.5 | -46 | -178.7 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | R2119 T2120 A2127 M2189 N2212 F2213 | R2119-T2123 WeakPolarHBondContact O-CB 3.14Å; R2119-T2123 PolarHBondContact O-N 3.31Å; R2119-T2123 PolarHBondContact O-OG1 3.19Å; T2120-T2123 PolarHBondContact O-N 2.93Å; T2123-A2127 WeakPolarHBondContact O-CB 3.34Å; T2123-A2127 PolarHBondContact O-N 3.46Å; T2123-M2189 HydrophobicContact CG2-CB 4.23Å; T2123-M2189 HydrophobicContact CG2-CG 4.01Å; T2123-M2189 HydrophobicContact CG2-SD 4.18Å; T2123-N2212 HydrophobicContact CG2-CB 4.05Å; T2123-F2213 HydrophobicContact CG2-CB 3.93Å |
| 2124 | R | 88.6 | Confident | 87.9 | Confident | 41 Ų | 41 | 12.4 Ų | 12.4 | 16% | 0.155 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.7 | -43.4 | 177.8 | -75.5 | 175.6 | 176.3 | 160.8 | 0.9 | 112.8 | E1314 L2022 T2120 Y2122 A2127 T2128 T2216 | E1314-R2124 IonicContact OE1-NH2 2.86Å; E1314-R2124 PolarHBondContact OE1-NH2 3.02Å; L2022-R2124 HydrophobicContact CD2-CB 3.7Å; L2022-R2124 HydrophobicContact CD2-CG 3.96Å; T2120-R2124 WeakPolarHBondContact O-CB 3.47Å; T2120-R2124 VanDerWaalsContact O-CG 3.31Å; T2120-R2124 WeakPolarHBondContact O-CG 3.43Å; T2120-R2124 PolarHBondContact O-N 3.05Å; Y2122-R2124 PolarHBondContact O-N 2.7Å; R2124-A2127 PolarHBondContact O-N 3.09Å; R2124-T2128 WeakPolarHBondContact O-CB 3.27Å; R2124-T2128 PolarHBondContact O-N 3.46Å; R2124-T2128 PolarHBondContact O-OG1 3.21Å; R2124-T2216 HydrophobicContact CB-CG2 4.44Å; R2124-T2216 HydrophobicContact CG-CG2 4.49Å |
| 2125 | S | 91.3 | Very high | 88.4 | Confident | 8 Ų | 8 | 11.9 Ų | 11.9 | 6% | 0.056 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -68 | -40.8 | 178.3 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | T2121 Y2122 T2128 V2129 M2155 | T2121-S2125 WeakPolarHBondContact O-CB 3.42Å; T2121-S2125 PolarHBondContact O-N 2.62Å; T2121-S2125 PolarHBondContact O-OG 3.25Å; Y2122-S2125 PolarHBondContact O-N 3.13Å; Y2122-S2125 PolarHBondContact O-OG 3.32Å; S2125-T2128 PolarHBondContact O-N 2.89Å; S2125-V2129 WeakPolarHBondContact O-CB 3.35Å; S2125-V2129 VanDerWaalsContact O-CG2 3.29Å; S2125-V2129 WeakPolarHBondContact O-CG2 3.47Å; S2125-V2129 PolarHBondContact O-N 3.45Å; S2125-M2155 PolarHBondContact OG-N 3.31Å |
| 2126 | L | 91.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61 | -45.1 | 173.8 | 179.6 | 56.3 | 0 | 0 | 0 | 111.1 | Y2122 S2130 M2155 L2185 M2189 F2213 | Y2122-L2126 HydrophobicContact CE1-CD2 4.2Å; Y2122-L2126 HydrophobicContact CE2-CD2 4.25Å; Y2122-L2126 WeakPolarHBondContact O-CB 3.4Å; Y2122-L2126 PolarHBondContact O-N 3.02Å; L2126-S2130 VanDerWaalsContact O-CB 3.23Å; L2126-S2130 WeakPolarHBondContact O-CB 3.22Å; L2126-S2130 PolarHBondContact O-N 3.26Å; L2126-S2130 PolarHBondContact O-OG 2.94Å; L2126-M2155 HydrophobicContact CD1-CE 3.21Å; L2126-M2155 HydrophobicContact CG-CE 4.42Å; L2126-L2185 HydrophobicContact CD2-CB 4.22Å; L2126-M2189 HydrophobicContact CD2-CE 3.28Å; L2126-M2189 HydrophobicContact CG-CE 4.05Å; L2126-F2213 HydrophobicContact CG-CE2 4.1Å |
| 2127 | A | 91.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.1 | -46 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T2123 R2124 S2130 M2131 F2213 T2216 | T2123-A2127 WeakPolarHBondContact O-CB 3.34Å; T2123-A2127 PolarHBondContact O-N 3.46Å; R2124-A2127 PolarHBondContact O-N 3.09Å; A2127-S2130 PolarHBondContact O-N 3.36Å; A2127-M2131 PolarHBondContact O-N 3.05Å; A2127-F2213 VanDerWaalsContact CA-CE2 3.47Å; A2127-F2213 HydrophobicContact CB-CD2 3.64Å; A2127-F2213 HydrophobicContact CB-CE2 3.84Å; A2127-F2213 HydrophobicContact CB-CG 4.2Å; A2127-T2216 HydrophobicContact CB-CG2 3.71Å |
| 2128 | T | 91.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.006 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.9 | -47.2 | -179.6 | -51.5 | 0 | 0 | 0 | 0 | 111.1 | L2011 I2024 R2124 S2125 V2132 V2220 | L2011-T2128 HydrophobicContact CD1-CG2 3.91Å; I2024-T2128 HydrophobicContact CD1-CG2 4.42Å; I2024-T2128 HydrophobicContact CG1-CG2 3.85Å; R2124-T2128 WeakPolarHBondContact O-CB 3.27Å; R2124-T2128 PolarHBondContact O-N 3.46Å; R2124-T2128 PolarHBondContact O-OG1 3.21Å; S2125-T2128 PolarHBondContact O-N 2.89Å; T2128-V2132 WeakPolarHBondContact O-CB 3.43Å; T2128-V2132 VanDerWaalsContact O-CG2 3.25Å; T2128-V2132 WeakPolarHBondContact O-CG2 3.36Å; T2128-V2132 PolarHBondContact O-N 2.89Å; T2128-V2132 VanDerWaalsContact O-N 3.07Å; T2128-V2220 HydrophobicContact CG2-CG1 4.43Å; T2128-V2220 HydrophobicContact CG2-CG2 4.13Å |
| 2129 | V | 89.6 | Confident | 88.7 | Confident | 10 Ų | 10 | 9 Ų | 9 | 6% | 0.061 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -69 | -33.4 | 178.9 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | I2024 S2125 G2133 M2155 H2157 | I2024-V2129 HydrophobicContact CG2-CG2 4.34Å; S2125-V2129 WeakPolarHBondContact O-CB 3.35Å; S2125-V2129 VanDerWaalsContact O-CG2 3.29Å; S2125-V2129 WeakPolarHBondContact O-CG2 3.47Å; S2125-V2129 PolarHBondContact O-N 3.45Å; V2129-G2133 WeakPolarHBondContact O-CA 3.38Å; V2129-G2133 PolarHBondContact O-N 3.49Å; V2129-M2155 HydrophobicContact CB-CE 4.37Å; V2129-M2155 HydrophobicContact CG1-CE 4.18Å; V2129-H2157 HydrophobicContact CG1-CB 4.27Å |
| 2130 | S | 91.2 | Very high | 88.4 | Confident | 7 Ų | 7 | 10.9 Ų | 10.9 | 5% | 0.049 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.2 | -48.3 | 175.2 | -73.1 | 0 | 0 | 0 | 0 | 112.3 | L2126 A2127 Y2134 F2179 | L2126-S2130 VanDerWaalsContact O-CB 3.23Å; L2126-S2130 WeakPolarHBondContact O-CB 3.22Å; L2126-S2130 PolarHBondContact O-N 3.26Å; L2126-S2130 PolarHBondContact O-OG 2.94Å; A2127-S2130 PolarHBondContact O-N 3.36Å; S2130-Y2134 WeakPolarHBondContact O-CB 3.5Å; S2130-Y2134 PolarHBondContact O-N 2.82Å; S2130-F2179 WeakPolarHBondContact OG-CD2 3.16Å |
| 2131 | M | 91.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.5 | -44.8 | 178.1 | -66.9 | -57.2 | 94.8 | 0 | 0 | 111.8 | A2127 Y2134 I2135 F2179 C2217 V2220 V2311 | A2127-M2131 PolarHBondContact O-N 3.05Å; M2131-Y2134 PolarHBondContact O-N 2.65Å; M2131-I2135 WeakPolarHBondContact O-CG1 3.48Å; M2131-I2135 PolarHBondContact O-N 3.45Å; M2131-I2135 VanDerWaalsContact O-N 3.07Å; M2131-F2179 HydrophobicContact CE-CD1 4.07Å; M2131-F2179 HydrophobicContact CE-CE1 3.33Å; M2131-F2179 HydrophobicContact CE-CZ 3.72Å; M2131-C2217 HydrophobicContact CE-CB 4.16Å; M2131-C2217 HydrophobicContact CG-CB 3.74Å; M2131-C2217 HydrophobicContact SD-CB 3.72Å; M2131-V2220 HydrophobicContact CB-CG1 3.94Å; M2131-V2220 HydrophobicContact CG-CG1 4.5Å; M2131-V2311 HydrophobicContact SD-CG2 4.33Å |
| 2132 | V | 90.9 | Very high | 88.5 | Confident | 4 Ų | 4 | 11.2 Ų | 11.2 | 2% | 0.024 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.9 | -40.2 | 179.7 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | F2004 I2007 I2024 T2128 Y2134 I2135 L2136 V2220 L2224 | F2004-V2132 HydrophobicContact CD1-CG1 3.95Å; F2004-V2132 HydrophobicContact CE1-CG1 3.52Å; I2007-V2132 HydrophobicContact CD1-CB 4.42Å; I2007-V2132 HydrophobicContact CD1-CG1 3.55Å; I2007-V2132 HydrophobicContact CD1-CG2 3.98Å; I2007-V2132 HydrophobicContact CG2-CG2 4.16Å; I2024-V2132 HydrophobicContact CD1-CB 4.23Å; I2024-V2132 HydrophobicContact CD1-CG1 4.02Å; I2024-V2132 HydrophobicContact CD1-CG2 3.91Å; T2128-V2132 WeakPolarHBondContact O-CB 3.43Å; T2128-V2132 VanDerWaalsContact O-CG2 3.25Å; T2128-V2132 WeakPolarHBondContact O-CG2 3.36Å; T2128-V2132 PolarHBondContact O-N 2.89Å; T2128-V2132 VanDerWaalsContact O-N 3.07Å; V2132-Y2134 VanDerWaalsContact C-N 3.34Å; V2132-I2135 PolarHBondContact O-N 3.27Å; V2132-L2136 WeakPolarHBondContact O-CB 3.43Å; V2132-L2136 PolarHBondContact O-N 3.17Å; V2132-V2220 HydrophobicContact CG2-CG1 4.41Å; V2132-L2224 HydrophobicContact CG2-CD1 4.06Å |
| 2133 | G | 88.7 | Confident | 88.3 | Confident | 6 Ų | 6 | 11.3 Ų | 11.3 | 6% | 0.062 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.3 | -40.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V2129 L2136 G2137 L2138 | V2129-G2133 WeakPolarHBondContact O-CA 3.38Å; V2129-G2133 PolarHBondContact O-N 3.49Å; G2133-L2136 PolarHBondContact O-N 3.39Å; G2133-G2137 PolarHBondContact O-N 3.37Å; G2133-L2138 WeakPolarHBondContact O-CB 3.47Å; G2133-L2138 PolarHBondContact O-N 2.96Å |
| 2134 | Y | 90.5 | Very high | 88.2 | Confident | 12 Ų | 12 | 13.5 Ų | 13.5 | 5% | 0.047 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 174.6 | 157.7 | -103.5 | 0 | 0 | 0 | 112.4 | S2130 M2131 V2132 L2136 G2137 P2178 K2291 D2296 Q2310 L2314 | S2130-Y2134 WeakPolarHBondContact O-CB 3.5Å; S2130-Y2134 PolarHBondContact O-N 2.82Å; M2131-Y2134 PolarHBondContact O-N 2.65Å; V2132-Y2134 VanDerWaalsContact C-N 3.34Å; Y2134-L2136 VanDerWaalsContact C-N 3.35Å; Y2134-L2136 PolarHBondContact O-N 3.46Å; Y2134-G2137 PolarHBondContact O-N 3.12Å; Y2134-G2137 VanDerWaalsContact O-N 3.14Å; Y2134-P2178 HydrophobicContact CD2-CB 3.92Å; Y2134-K2291 HydrophobicContact CE1-CB 4.21Å; Y2134-K2291 HydrophobicContact CE1-CD 4.27Å; Y2134-K2291 HydrophobicContact CE1-CG 4.33Å; Y2134-K2291 HydrophobicContact CE2-CD 4.07Å; Y2134-K2291 HydrophobicContact CE2-CG 4.33Å; Y2134-K2291 PolarHBondContact O-NZ 2.9Å; Y2134-D2296 PolarHBondContact OH-OD2 3.21Å; Y2134-Q2310 PolarHBondContact OH-NE2 3.18Å; Y2134-L2314 HydrophobicContact CD1-CD1 3.87Å; Y2134-L2314 HydrophobicContact CD2-CD1 4.45Å; Y2134-L2314 HydrophobicContact CD2-CD2 3.65Å; Y2134-L2314 HydrophobicContact CE1-CD1 3.71Å; Y2134-L2314 HydrophobicContact CE1-CD2 4.29Å; Y2134-L2314 HydrophobicContact CE2-CD1 4.3Å; Y2134-L2314 HydrophobicContact CE2-CD2 3.34Å; Y2134-L2314 HydrophobicContact CE2-CG 4.45Å; Y2134-L2314 HydrophobicContact CG-CD1 4.23Å; Y2134-L2314 HydrophobicContact CG-CD2 4.23Å |
| 2135 | I | 87.8 | Confident | 88.2 | Confident | 7 Ų | 7 | 12.2 Ų | 12.2 | 4% | 0.036 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 176.9 | -65 | -165.5 | 0 | 0 | 0 | 110.8 | M2131 V2132 G2137 L2221 L2224 I2288 L2292 | M2131-I2135 WeakPolarHBondContact O-CG1 3.48Å; M2131-I2135 PolarHBondContact O-N 3.45Å; M2131-I2135 VanDerWaalsContact O-N 3.07Å; V2132-I2135 PolarHBondContact O-N 3.27Å; I2135-G2137 PolarHBondContact O-N 2.97Å; I2135-L2221 HydrophobicContact CD1-CD1 4.06Å; I2135-L2224 HydrophobicContact CD1-CB 4.03Å; I2135-L2224 HydrophobicContact CD1-CD1 3.68Å; I2135-L2224 HydrophobicContact CD1-CG 4.42Å; I2135-I2288 HydrophobicContact CG2-CG2 4.2Å; I2135-L2292 HydrophobicContact CD1-CD2 3.55Å; I2135-L2292 HydrophobicContact CD1-CG 4.2Å; I2135-L2292 HydrophobicContact CG2-CG 4.37Å |
| 2136 | L | 85.6 | Confident | 88.1 | Confident | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.8 | -22.6 | 177 | -169.3 | 67.3 | 0 | 0 | 0 | 112.9 | V2000 L2003 V2132 G2133 Y2134 L2138 F2164 L2235 | V2000-L2136 HydrophobicContact CG1-CD2 4.02Å; V2000-L2136 HydrophobicContact CG2-CD2 3.94Å; L2003-L2136 HydrophobicContact CD2-CD1 3.97Å; V2132-L2136 WeakPolarHBondContact O-CB 3.43Å; V2132-L2136 PolarHBondContact O-N 3.17Å; G2133-L2136 PolarHBondContact O-N 3.39Å; Y2134-L2136 VanDerWaalsContact C-N 3.35Å; Y2134-L2136 PolarHBondContact O-N 3.46Å; L2136-L2138 HydrophobicContact CB-CB 4.46Å; L2136-L2138 HydrophobicContact CD2-CB 4.33Å; L2136-L2138 HydrophobicContact CD2-CD1 4.12Å; L2136-L2138 HydrophobicContact CD2-CD2 4.22Å; L2136-L2138 HydrophobicContact CD2-CG 4.47Å; L2136-F2164 HydrophobicContact CD1-CE1 4.04Å; L2136-F2164 HydrophobicContact CD1-CZ 4.4Å; L2136-F2164 VanDerWaalsContact O-CD1 3.29Å; L2136-F2164 WeakPolarHBondContact O-CD1 3.49Å; L2136-F2164 PolarHBondContact O-N 2.9Å; L2136-F2164 VanDerWaalsContact O-N 3.09Å; L2136-L2235 HydrophobicContact CD1-CD2 3.88Å |
| 2137 | G | 85 | Confident | 88 | Confident | 10 Ų | 10 | 13 Ų | 13 | 10% | 0.103 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 42.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G2133 Y2134 I2135 C2163 F2164 E2165 | G2133-G2137 PolarHBondContact O-N 3.37Å; Y2134-G2137 PolarHBondContact O-N 3.12Å; Y2134-G2137 VanDerWaalsContact O-N 3.14Å; I2135-G2137 PolarHBondContact O-N 2.97Å; G2137-C2163 CarbonylContact O-C 3.4Å; G2137-F2164 PolarHBondContact O-N 3.04Å; G2137-E2165 PolarHBondContact O-N 3.3Å |
| 2138 | L | 86 | Confident | 87.9 | Confident | 11 Ų | 11 | 13.5 Ų | 13.5 | 6% | 0.058 | 8% | 0.078 | C | C | . | . | trans | -86.3 | 118 | -168.1 | -169.5 | 63 | 0 | 0 | 0 | 112.2 | G2133 L2136 R2141 F2160 C2163 | G2133-L2138 WeakPolarHBondContact O-CB 3.47Å; G2133-L2138 PolarHBondContact O-N 2.96Å; L2136-L2138 HydrophobicContact CB-CB 4.46Å; L2136-L2138 HydrophobicContact CD2-CB 4.33Å; L2136-L2138 HydrophobicContact CD2-CD1 4.12Å; L2136-L2138 HydrophobicContact CD2-CD2 4.22Å; L2136-L2138 HydrophobicContact CD2-CG 4.47Å; L2138-R2141 WeakPolarHBondContact O-CD 3.47Å; L2138-F2160 HydrophobicContact CD1-CB 4.26Å; L2138-F2160 HydrophobicContact CD1-CD1 3.64Å; L2138-F2160 HydrophobicContact CD1-CG 4.42Å; L2138-F2160 HydrophobicContact CD2-CD1 3.58Å; L2138-F2160 HydrophobicContact CD2-CE1 3.68Å; L2138-F2160 HydrophobicContact CG-CD1 4.26Å; L2138-C2163 WeakPolarHBondContact CD1-SG 3.44Å | ||
| 2139 | G | 81 | Confident | 87.7 | Confident | 6 Ų | 6 | 14.8 Ų | 14.8 | 6% | 0.062 | 9% | 0.086 | C | C | . | . | trans | -101.9 | -168.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R2141 D2162 E2175 | G2139-R2141 VanDerWaalsContact C-N 3.34Å; G2139-R2141 PolarHBondContact O-N 3.5Å; G2139-R2141 PolarHBondContact O-NE 3.32Å; G2139-D2162 PolarHBondContact N-O 3.11Å; G2139-E2175 VanDerWaalsContact CA-OE2 3.25Å; G2139-E2175 WeakPolarHBondContact CA-OE2 3.31Å | ||
| 2140 | D | 82.6 | Confident | 87 | Confident | 51 Ų | 51 | 17.3 Ų | 17.3 | 27% | 0.273 | 9% | 0.094 | S | C | . | . | trans | 48.4 | 50.2 | 179.4 | -161.1 | 21.1 | 0 | 0 | 0 | 113.9 | H2142 N2145 D2162 E2175 | D2140-H2142 PolarHBondContact O-N 3.23Å; D2140-H2142 IonicContact OD1-CD2 2.7Å; D2140-H2142 PolarHBondContact OD1-CD2 2.75Å; D2140-H2142 VanDerWaalsContact OD1-CD2 3.24Å; D2140-H2142 IonicContact OD1-CG 2.62Å; D2140-H2142 IonicContact OD2-CD2 2.84Å; D2140-H2142 IonicContact OD2-NE2 3.57Å; D2140-N2145 PolarHBondContact O-ND2 3.4Å; D2140-D2162 HydrophobicContact CB-CB 4.39Å; D2140-D2162 WeakPolarHBondContact CB-OD2 3.3Å; D2140-E2175 PolarHBondContact N-OE2 3.26Å | ||
| 2141 | R | 85.1 | Confident | 86.3 | Confident | 10 Ų | 10 | 19.3 Ų | 19.3 | 4% | 0.038 | 10% | 0.103 | C | C | . | . | trans | -80.8 | 35.9 | -171 | -52.1 | -85.6 | 81.3 | -176.3 | -1.8 | 112.4 | L2138 G2139 L2146 H2157 E2175 R2180 W2331 | L2138-R2141 WeakPolarHBondContact O-CD 3.47Å; G2139-R2141 VanDerWaalsContact C-N 3.34Å; G2139-R2141 PolarHBondContact O-N 3.5Å; G2139-R2141 PolarHBondContact O-NE 3.32Å; R2141-L2146 WeakPolarHBondContact O-CD1 3.34Å; R2141-H2157 WeakPolarHBondContact CD-NE2 3.45Å; R2141-H2157 VanDerWaalsContact CZ-CD2 3.49Å; R2141-H2157 VanDerWaalsContact CZ-CG 3.45Å; R2141-H2157 PolarHBondContact NE-CE1 3.19Å; R2141-H2157 PolarHBondContact NE-NE2 3.2Å; R2141-H2157 PolarHBondContact NH1-CD2 3.45Å; R2141-H2157 PolarHBondContact NH1-CE1 3.48Å; R2141-H2157 PolarHBondContact NH1-ND1 2.96Å; R2141-H2157 PolarHBondContact NH1-NE2 3.42Å; R2141-H2157 PolarHBondContact NH2-CE1 3.1Å; R2141-H2157 PolarHBondContact NH2-ND1 3.32Å; R2141-E2175 PolarHBondContact N-OE1 3.06Å; R2141-R2180 HydrophobicContact CB-CB 4.05Å; R2141-R2180 WeakPolarHBondContact O-CD 3.46Å; R2141-R2180 PolarHBondContact O-NH1 2.83Å; R2141-W2331 HydrophobicContact CB-CZ2 4.3Å | ||
| 2142 | H | 87.7 | Confident | 85.6 | Confident | 45 Ų | 45 | 21.2 Ų | 21.2 | 21% | 0.208 | 12% | 0.116 | C | C | . | . | trans | -69.6 | 160.7 | -174.8 | 68 | 44.8 | 0 | 0 | 0 | 112.9 | D2140 S2144 N2145 R2180 | D2140-H2142 PolarHBondContact O-N 3.23Å; D2140-H2142 IonicContact OD1-CD2 2.7Å; D2140-H2142 PolarHBondContact OD1-CD2 2.75Å; D2140-H2142 VanDerWaalsContact OD1-CD2 3.24Å; D2140-H2142 IonicContact OD1-CG 2.62Å; D2140-H2142 IonicContact OD2-CD2 2.84Å; D2140-H2142 IonicContact OD2-NE2 3.57Å; H2142-S2144 PolarHBondContact ND1-N 3.28Å; H2142-S2144 PolarHBondContact O-N 3.47Å; H2142-N2145 PolarHBondContact CE1-ND2 3.31Å; H2142-N2145 PolarHBondContact CE1-OD1 3.12Å; H2142-N2145 PolarHBondContact ND1-N 3.39Å; H2142-N2145 PolarHBondContact NE2-ND2 2.99Å; H2142-N2145 PolarHBondContact O-N 2.88Å; H2142-R2180 VanDerWaalsContact C-NH1 3.33Å | ||
| 2143 | P | 87.1 | Confident | 85.2 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.013 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.8 | -168.2 | -17.7 | 30.1 | 0 | 0 | 0 | 115.4 | L2048 H2049 C2332 W2335 | L2048-P2143 HydrophobicContact CB-CB 4.35Å; L2048-P2143 WeakPolarHBondContact CB-O 3.3Å; L2048-P2143 PolarHBondContact N-O 3.23Å; H2049-P2143 HydrophobicContact CB-CB 4.2Å; H2049-P2143 PolarHBondContact N-O 3.45Å; P2143-C2332 HydrophobicContact CG-CB 3.93Å; P2143-W2335 HydrophobicContact CB-CE3 3.77Å; P2143-W2335 HydrophobicContact CB-CH2 4.37Å; P2143-W2335 HydrophobicContact CB-CZ3 3.33Å; P2143-W2335 HydrophobicContact CG-CD2 4.46Å; P2143-W2335 HydrophobicContact CG-CE3 3.41Å; P2143-W2335 VanDerWaalsContact CG-CE3 3.41Å; P2143-W2335 HydrophobicContact CG-CH2 4.23Å; P2143-W2335 HydrophobicContact CG-CZ3 3.3Å |
| 2144 | S | 86.6 | Confident | 85.2 | Confident | 48 Ų | 48 | 22.5 Ų | 22.5 | 34% | 0.336 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -18.1 | 174.2 | -47.1 | 0 | 0 | 0 | 0 | 113.2 | T2047 H2142 | T2047-S2144 WeakPolarHBondContact CG2-O 3.4Å; H2142-S2144 PolarHBondContact ND1-N 3.28Å; H2142-S2144 PolarHBondContact O-N 3.47Å |
| 2145 | N | 88.6 | Confident | 85.1 | Confident | 13 Ų | 13 | 22.3 Ų | 22.3 | 7% | 0.07 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -94.6 | 0.9 | 177.8 | -71.9 | -8.3 | 0 | 0 | 0 | 112.3 | D2140 H2142 H2157 I2158 | D2140-N2145 PolarHBondContact O-ND2 3.4Å; H2142-N2145 PolarHBondContact CE1-ND2 3.31Å; H2142-N2145 PolarHBondContact CE1-OD1 3.12Å; H2142-N2145 PolarHBondContact ND1-N 3.39Å; H2142-N2145 PolarHBondContact NE2-ND2 2.99Å; H2142-N2145 PolarHBondContact O-N 2.88Å; N2145-H2157 PolarHBondContact O-CE1 3.37Å; N2145-H2157 PolarHBondContact O-ND1 3.26Å; N2145-I2158 HydrophobicContact CB-CG1 4.44Å; N2145-I2158 WeakPolarHBondContact O-CG1 3.14Å; N2145-I2158 PolarHBondContact O-N 2.78Å |
| 2146 | L | 89.8 | Confident | 85.2 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.7 | 178.5 | -74.1 | 160.4 | 0 | 0 | 0 | 108 | T2047 L2048 R2141 M2155 H2157 | T2047-L2146 CarbonylContact C-O 3.55Å; T2047-L2146 WeakPolarHBondContact CA-O 3.38Å; L2048-L2146 HydrophobicContact CB-CB 4.35Å; L2048-L2146 PolarHBondContact N-O 2.9Å; R2141-L2146 WeakPolarHBondContact O-CD1 3.34Å; L2146-M2155 HydrophobicContact CD2-CE 3.42Å; L2146-M2155 VanDerWaalsContact CD2-CE 3.42Å; L2146-M2155 HydrophobicContact CD2-CG 4.36Å; L2146-M2155 HydrophobicContact CD2-SD 3.21Å; L2146-M2155 WeakPolarHBondContact CD2-SD 3.19Å; L2146-H2157 WeakPolarHBondContact CD2-CD2 3.26Å; L2146-H2157 WeakPolarHBondContact CD2-NE2 3.32Å |
| 2147 | M | 89.9 | Confident | 85.4 | Confident | 23 Ų | 23 | 22.5 Ų | 22.5 | 11% | 0.113 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 150 | 174.9 | -58.8 | -177.1 | 79.8 | 0 | 0 | 110.8 | C2045 D2046 T2047 M2155 V2156 I2158 | C2045-M2147 HydrophobicContact CB-CB 4.33Å; C2045-M2147 HydrophobicContact CB-CE 3.48Å; C2045-M2147 VanDerWaalsContact CB-CE 3.48Å; C2045-M2147 HydrophobicContact CB-SD 4.35Å; C2045-M2147 WeakPolarHBondContact O-CE 3.35Å; D2046-M2147 CarbonylContact O-C 3.43Å; D2046-M2147 VanDerWaalsContact O-CA 3.3Å; D2046-M2147 WeakPolarHBondContact O-CA 3.28Å; T2047-M2147 HydrophobicContact CG2-CG 4.08Å; M2147-M2155 WeakPolarHBondContact O-CA 3.3Å; M2147-V2156 HydrophobicContact CB-CB 4.23Å; M2147-V2156 PolarHBondContact N-O 3.42Å; M2147-V2156 PolarHBondContact O-N 3.25Å; M2147-I2158 HydrophobicContact CG-CD1 4.12Å; M2147-I2158 HydrophobicContact CG-CG1 4.46Å; M2147-I2158 HydrophobicContact CG-CG2 4.34Å; M2147-I2158 HydrophobicContact SD-CD1 3.97Å; M2147-I2158 HydrophobicContact SD-CG2 3.81Å |
| 2148 | L | 89.1 | Confident | 85.5 | Confident | 10 Ų | 10 | 24 Ų | 24 | 5% | 0.052 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.5 | 170.9 | -159.5 | 90.6 | 0 | 0 | 0 | 108.4 | C2045 D2046 L2051 Y2122 R2150 | C2045-L2148 WeakPolarHBondContact CA-O 3.37Å; D2046-L2148 PolarHBondContact N-O 2.71Å; D2046-L2148 VanDerWaalsContact N-O 3.09Å; D2046-L2148 PolarHBondContact O-N 3.05Å; L2051-L2148 HydrophobicContact CD1-CB 3.84Å; L2051-L2148 HydrophobicContact CD1-CD2 4.28Å; Y2122-L2148 HydrophobicContact CD2-CD1 3.53Å; Y2122-L2148 HydrophobicContact CE2-CD1 3.93Å; L2148-R2150 PolarHBondContact O-N 2.7Å |
| 2149 | D | 86.4 | Confident | 85.4 | Confident | 29 Ų | 29 | 26.1 Ų | 26.1 | 16% | 0.155 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 121.4 | 167.9 | 178 | 2.8 | 0 | 0 | 0 | 109.5 | M2151 S2152 G2153 K2154 | D2149-M2151 PolarHBondContact O-N 3.02Å; D2149-M2151 PolarHBondContact OD1-N 3.47Å; D2149-S2152 VanDerWaalsContact CG-OG 3.3Å; D2149-S2152 VanDerWaalsContact OD2-CB 3.29Å; D2149-S2152 WeakPolarHBondContact OD2-CB 3.44Å; D2149-S2152 PolarHBondContact OD2-N 2.92Å; D2149-S2152 PolarHBondContact OD2-OG 3.24Å; D2149-G2153 VanDerWaalsContact O-CA 3.23Å; D2149-G2153 WeakPolarHBondContact O-CA 3.36Å; D2149-G2153 PolarHBondContact O-N 3.11Å; D2149-K2154 PolarHBondContact N-O 3.44Å |
| 2150 | R | 76.1 | Confident | 85.5 | Confident | 63 Ų | 63 | 25.9 Ų | 25.9 | 24% | 0.238 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -30.2 | 179.9 | -67.4 | -177.2 | -67.1 | -153.6 | 17.3 | 113.1 | N2044 D2046 R2118 L2148 | N2044-R2150 VanDerWaalsContact O-CB 3.27Å; N2044-R2150 WeakPolarHBondContact O-CB 3.25Å; N2044-R2150 WeakPolarHBondContact O-CG 3.45Å; N2044-R2150 PolarHBondContact O-N 3.17Å; N2044-R2150 PolarHBondContact O-NE 2.95Å; N2044-R2150 PolarHBondContact OD1-NH2 2.93Å; D2046-R2150 IonicContact OD1-NH1 2.83Å; D2046-R2150 VanDerWaalsContact OD2-CD 3.25Å; D2046-R2150 WeakPolarHBondContact OD2-CD 3.29Å; D2046-R2150 IonicContact OD2-NE 3.07Å; D2046-R2150 IonicContact OD2-NH1 2.67Å; R2118-R2150 PolarHBondContact NE-O 3.15Å; R2118-R2150 PolarHBondContact NH1-O 3.14Å; R2118-R2150 VanDerWaalsContact NH1-O 3.13Å; R2118-R2150 PolarHBondContact NH2-O 3.13Å; R2118-R2150 VanDerWaalsContact NH2-O 3.1Å; L2148-R2150 PolarHBondContact O-N 2.7Å |
| 2151 | M | 75.3 | Confident | 85.2 | Confident | 49 Ų | 49 | 24.3 Ų | 24.3 | 24% | 0.241 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -56.5 | -174.6 | -64.8 | -58.9 | -73.7 | 0 | 0 | 111.3 | N2044 R2118 D2149 | N2044-M2151 HydrophobicContact CB-CG 4.25Å; R2118-M2151 PolarHBondContact NE-O 3.19Å; D2149-M2151 PolarHBondContact O-N 3.02Å; D2149-M2151 PolarHBondContact OD1-N 3.47Å |
| 2152 | S | 78.5 | Confident | 85 | Confident | 39 Ų | 39 | 25 Ų | 25 | 27% | 0.273 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -19.8 | -176.2 | 72 | 0 | 0 | 0 | 0 | 114.3 | T2121 D2149 K2154 | T2121-S2152 WeakPolarHBondContact CB-O 3.23Å; T2121-S2152 VanDerWaalsContact CG2-O 3.3Å; T2121-S2152 WeakPolarHBondContact CG2-O 3.33Å; D2149-S2152 VanDerWaalsContact CG-OG 3.3Å; D2149-S2152 VanDerWaalsContact OD2-CB 3.29Å; D2149-S2152 WeakPolarHBondContact OD2-CB 3.44Å; D2149-S2152 PolarHBondContact OD2-N 2.92Å; D2149-S2152 PolarHBondContact OD2-OG 3.24Å; S2152-K2154 PolarHBondContact O-N 2.81Å; S2152-K2154 WeakPolarHBondContact OG-CB 3.36Å; S2152-K2154 WeakPolarHBondContact OG-CG 3.29Å; S2152-K2154 PolarHBondContact OG-N 2.98Å |
| 2153 | G | 82.2 | Confident | 84.7 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | trans | 74.8 | 4.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y2122 D2149 | Y2122-G2153 WeakPolarHBondContact CA-O 3.46Å; Y2122-G2153 WeakPolarHBondContact CB-O 3.48Å; D2149-G2153 VanDerWaalsContact O-CA 3.23Å; D2149-G2153 WeakPolarHBondContact O-CA 3.36Å; D2149-G2153 PolarHBondContact O-N 3.11Å | ||
| 2154 | K | 88.1 | Confident | 84.4 | Confident | 36 Ų | 36 | 24.1 Ų | 24.1 | 16% | 0.157 | 13% | 0.13 | C | C | . | . | trans | -64.7 | 136.8 | 176.9 | -74.8 | -174 | -178.7 | -178.9 | 0 | 111.4 | T2023 T2121 D2149 S2152 | T2023-K2154 PolarHBondContact OG1-NZ 3.11Å; T2121-K2154 HydrophobicContact CG2-CB 4.48Å; T2121-K2154 HydrophobicContact CG2-CD 4.39Å; T2121-K2154 HydrophobicContact CG2-CG 3.4Å; D2149-K2154 PolarHBondContact N-O 3.44Å; S2152-K2154 PolarHBondContact O-N 2.81Å; S2152-K2154 WeakPolarHBondContact OG-CB 3.36Å; S2152-K2154 WeakPolarHBondContact OG-CG 3.29Å; S2152-K2154 PolarHBondContact OG-N 2.98Å | ||
| 2155 | M | 89.7 | Confident | 84.1 | Confident | 8 Ų | 8 | 23.7 Ų | 23.7 | 4% | 0.039 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 128.6 | 172.1 | -159.4 | -84.7 | -92.6 | 0 | 0 | 109.3 | Y2122 S2125 L2126 V2129 L2146 M2147 | Y2122-M2155 HydrophobicContact CD2-CB 4.49Å; S2125-M2155 PolarHBondContact OG-N 3.31Å; L2126-M2155 HydrophobicContact CD1-CE 3.21Å; L2126-M2155 HydrophobicContact CG-CE 4.42Å; V2129-M2155 HydrophobicContact CB-CE 4.37Å; V2129-M2155 HydrophobicContact CG1-CE 4.18Å; L2146-M2155 HydrophobicContact CD2-CE 3.42Å; L2146-M2155 VanDerWaalsContact CD2-CE 3.42Å; L2146-M2155 HydrophobicContact CD2-CG 4.36Å; L2146-M2155 HydrophobicContact CD2-SD 3.21Å; L2146-M2155 WeakPolarHBondContact CD2-SD 3.19Å; M2147-M2155 WeakPolarHBondContact O-CA 3.3Å |
| 2156 | V | 89.4 | Confident | 83.6 | Confident | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.012 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121.9 | -175.8 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | Y2027 M2042 M2147 | Y2027-V2156 HydrophobicContact CE1-CG1 4.27Å; M2042-V2156 HydrophobicContact CE-CG1 4.49Å; M2042-V2156 HydrophobicContact CE-CG2 4.29Å; M2147-V2156 HydrophobicContact CB-CB 4.23Å; M2147-V2156 PolarHBondContact N-O 3.42Å; M2147-V2156 PolarHBondContact O-N 3.25Å |
| 2157 | H | 89 | Confident | 83.1 | Confident | 13 Ų | 13 | 24.2 Ų | 24.2 | 6% | 0.06 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 136 | 173.6 | -122.2 | -61.6 | 0 | 0 | 0 | 111.1 | Y2027 V2129 R2141 N2145 L2146 F2160 | Y2027-H2157 PolarHBondContact OH-O 3.44Å; V2129-H2157 HydrophobicContact CG1-CB 4.27Å; R2141-H2157 WeakPolarHBondContact CD-NE2 3.45Å; R2141-H2157 VanDerWaalsContact CZ-CD2 3.49Å; R2141-H2157 VanDerWaalsContact CZ-CG 3.45Å; R2141-H2157 PolarHBondContact NE-CE1 3.19Å; R2141-H2157 PolarHBondContact NE-NE2 3.2Å; R2141-H2157 PolarHBondContact NH1-CD2 3.45Å; R2141-H2157 PolarHBondContact NH1-CE1 3.48Å; R2141-H2157 PolarHBondContact NH1-ND1 2.96Å; R2141-H2157 PolarHBondContact NH1-NE2 3.42Å; R2141-H2157 PolarHBondContact NH2-CE1 3.1Å; R2141-H2157 PolarHBondContact NH2-ND1 3.32Å; N2145-H2157 PolarHBondContact O-CE1 3.37Å; N2145-H2157 PolarHBondContact O-ND1 3.26Å; L2146-H2157 WeakPolarHBondContact CD2-CD2 3.26Å; L2146-H2157 WeakPolarHBondContact CD2-NE2 3.32Å; H2157-F2160 HydrophobicContact CB-CE1 4.31Å; H2157-F2160 HydrophobicContact CB-CZ 4.37Å; H2157-F2160 WeakPolarHBondContact O-CZ 2.99Å |
| 2158 | I | 87.7 | Confident | 82.6 | Confident | 42 Ų | 42 | 26.5 Ų | 26.5 | 22% | 0.215 | 14% | 0.138 | C | C | . | . | trans | -122.3 | 163.6 | 171.8 | 63.8 | 171.1 | 0 | 0 | 0 | 110 | Y2027 N2145 M2147 | Y2027-I2158 HydrophobicContact CE1-CG2 4.2Å; Y2027-I2158 WeakPolarHBondContact OH-CA 3.19Å; N2145-I2158 HydrophobicContact CB-CG1 4.44Å; N2145-I2158 WeakPolarHBondContact O-CG1 3.14Å; N2145-I2158 PolarHBondContact O-N 2.78Å; M2147-I2158 HydrophobicContact CG-CD1 4.12Å; M2147-I2158 HydrophobicContact CG-CG1 4.46Å; M2147-I2158 HydrophobicContact CG-CG2 4.34Å; M2147-I2158 HydrophobicContact SD-CD1 3.97Å; M2147-I2158 HydrophobicContact SD-CG2 3.81Å | ||
| 2159 | D | 83.8 | Confident | 81.9 | Confident | 56 Ų | 56 | 30.6 Ų | 30.6 | 30% | 0.299 | 16% | 0.164 | S | C | . | . | trans | 62.5 | 98.8 | -179.6 | -155.6 | -24.7 | 0 | 0 | 0 | 113.3 | G2161 | D2159-G2161 PolarHBondContact OD1-N 3.13Š| ||
| 2160 | F | 84 | Confident | 81.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -104.9 | 21 | -177.1 | -57.7 | -81.7 | 0 | 0 | 0 | 113.3 | Q1996 D1997 V2000 M2001 F2004 Y2027 L2138 H2157 D2162 C2163 | Q1996-F2160 VanDerWaalsContact CD-O 3.23Å; Q1996-F2160 PolarHBondContact NE2-O 3.32Å; D1997-F2160 HydrophobicContact CB-CD2 4.11Å; V2000-F2160 HydrophobicContact CB-CD1 4.4Å; V2000-F2160 HydrophobicContact CB-CD2 4.42Å; V2000-F2160 HydrophobicContact CB-CG 4.22Å; V2000-F2160 HydrophobicContact CG1-CD1 3.67Å; V2000-F2160 HydrophobicContact CG1-CD2 4.26Å; V2000-F2160 HydrophobicContact CG1-CE1 3.76Å; V2000-F2160 HydrophobicContact CG1-CE2 4.3Å; V2000-F2160 HydrophobicContact CG1-CG 3.96Å; V2000-F2160 HydrophobicContact CG1-CZ 4.09Å; V2000-F2160 HydrophobicContact CG2-CB 4.17Å; V2000-F2160 HydrophobicContact CG2-CD1 4.49Å; V2000-F2160 HydrophobicContact CG2-CG 4.29Å; M2001-F2160 HydrophobicContact CE-CD2 4.23Å; M2001-F2160 HydrophobicContact CE-CE2 3.21Å; M2001-F2160 HydrophobicContact CE-CZ 3.57Å; F2004-F2160 AromaticContact CE2-CE1 3.92Å; F2004-F2160 HydrophobicContact CE2-CE1 3.92Å; F2004-F2160 AromaticContact CE2-CZ 3.74Å; F2004-F2160 HydrophobicContact CE2-CZ 3.74Å; F2004-F2160 AromaticContact CZ-CE1 3.89Å; F2004-F2160 HydrophobicContact CZ-CE1 3.89Å; F2004-F2160 HydrophobicContact CZ-CZ 4.2Å; Y2027-F2160 WeakPolarHBondContact OH-CE2 3.24Å; L2138-F2160 HydrophobicContact CD1-CB 4.26Å; L2138-F2160 HydrophobicContact CD1-CD1 3.64Å; L2138-F2160 HydrophobicContact CD1-CG 4.42Å; L2138-F2160 HydrophobicContact CD2-CD1 3.58Å; L2138-F2160 HydrophobicContact CD2-CE1 3.68Å; L2138-F2160 HydrophobicContact CG-CD1 4.26Å; H2157-F2160 HydrophobicContact CB-CE1 4.31Å; H2157-F2160 HydrophobicContact CB-CZ 4.37Å; H2157-F2160 WeakPolarHBondContact O-CZ 2.99Å; F2160-D2162 VanDerWaalsContact C-N 3.28Å; F2160-D2162 PolarHBondContact O-N 3.08Å; F2160-C2163 PolarHBondContact O-SG 2.91Å | ||
| 2161 | G | 76.2 | Confident | 81.2 | Confident | 19 Ų | 19 | 37 Ų | 37 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -54.6 | -39.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q1996 D2159 C2163 | Q1996-G2161 PolarHBondContact NE2-O 2.94Å; Q1996-G2161 PolarHBondContact OE1-O 3.09Å; D2159-G2161 PolarHBondContact OD1-N 3.13Å; G2161-C2163 PolarHBondContact O-N 3.39Å |
| 2162 | D | 79.2 | Confident | 81.1 | Confident | 23 Ų | 23 | 43.1 Ų | 43.1 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -97.7 | 74.5 | -179.3 | -70.1 | -37.2 | 0 | 0 | 0 | 112.8 | G2139 D2140 F2160 A2167 R2170 | G2139-D2162 PolarHBondContact N-O 3.11Å; D2140-D2162 HydrophobicContact CB-CB 4.39Å; D2140-D2162 WeakPolarHBondContact CB-OD2 3.3Å; F2160-D2162 VanDerWaalsContact C-N 3.28Å; F2160-D2162 PolarHBondContact O-N 3.08Å; D2162-A2167 HydrophobicContact CB-CB 4.43Å; D2162-R2170 IonicContact OD1-CZ 3.17Å; D2162-R2170 IonicContact OD1-NH2 3.83Å; D2162-R2170 PolarHBondContact OD1-NH2 3.3Å; D2162-R2170 IonicContact OD2-CZ 3.14Å; D2162-R2170 IonicContact OD2-NH1 3.41Å; D2162-R2170 PolarHBondContact OD2-NH1 3.48Å; D2162-R2170 IonicContact OD2-NH2 2.98Å; D2162-R2170 PolarHBondContact OD2-NH2 2.99Å |
| 2163 | C | 81.4 | Confident | 81.1 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | trans | -93.3 | 168.4 | 169.9 | -67.3 | 0 | 0 | 0 | 0 | 111.8 | Q1996 G2137 L2138 F2160 G2161 E2165 V2166 | Q1996-C2163 PolarHBondContact NE2-SG 2.88Å; G2137-C2163 CarbonylContact O-C 3.4Å; L2138-C2163 WeakPolarHBondContact CD1-SG 3.44Å; F2160-C2163 PolarHBondContact O-SG 2.91Å; G2161-C2163 PolarHBondContact O-N 3.39Å; C2163-E2165 PolarHBondContact O-N 3.35Å; C2163-V2166 WeakPolarHBondContact O-CG2 3.07Å; C2163-V2166 PolarHBondContact O-N 2.71Å | ||
| 2164 | F | 82.1 | Confident | 81.1 | Confident | 28 Ų | 28 | 47 Ų | 47 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 42.7 | 174.6 | -49.5 | -51.3 | 0 | 0 | 0 | 116.2 | L2136 G2137 V2166 L2235 F2238 V2239 I2284 I2288 | L2136-F2164 HydrophobicContact CD1-CE1 4.04Å; L2136-F2164 HydrophobicContact CD1-CZ 4.4Å; L2136-F2164 VanDerWaalsContact O-CD1 3.29Å; L2136-F2164 WeakPolarHBondContact O-CD1 3.49Å; L2136-F2164 PolarHBondContact O-N 2.9Å; L2136-F2164 VanDerWaalsContact O-N 3.09Å; G2137-F2164 PolarHBondContact O-N 3.04Å; F2164-V2166 PolarHBondContact O-N 3.5Å; F2164-V2166 VanDerWaalsContact O-N 3.08Å; F2164-L2235 HydrophobicContact CE1-CD2 4.33Å; F2164-L2235 HydrophobicContact CZ-CD2 4.37Å; F2164-F2238 HydrophobicContact CD2-CE1 4.37Å; F2164-F2238 AromaticContact CE2-CD1 3.47Å; F2164-F2238 HydrophobicContact CE2-CD1 3.47Å; F2164-F2238 VanDerWaalsContact CE2-CD1 3.47Å; F2164-F2238 AromaticContact CE2-CE1 3.12Å; F2164-F2238 HydrophobicContact CE2-CE1 3.12Å; F2164-F2238 HydrophobicContact CE2-CZ 4.3Å; F2164-F2238 AromaticContact CZ-CD1 3.27Å; F2164-F2238 HydrophobicContact CZ-CD1 3.27Å; F2164-F2238 AromaticContact CZ-CE1 3.2Å; F2164-F2238 HydrophobicContact CZ-CE1 3.2Å; F2164-V2239 HydrophobicContact CE2-CG2 4.06Å; F2164-V2239 HydrophobicContact CZ-CG2 3.98Å; F2164-I2284 HydrophobicContact CB-CD1 4.37Å; F2164-I2284 HydrophobicContact CB-CG2 4.07Å; F2164-I2284 HydrophobicContact CD1-CG2 3.66Å; F2164-I2284 HydrophobicContact CD2-CG2 4.32Å; F2164-I2284 HydrophobicContact CE1-CG2 4.21Å; F2164-I2284 HydrophobicContact CG-CG2 3.76Å; F2164-I2288 HydrophobicContact CD1-CD1 4.06Å; F2164-I2288 HydrophobicContact CE1-CD1 3.8Å |
| 2165 | E | 79.2 | Confident | 80.9 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 18.8 | 173.2 | -52.4 | 175.4 | -178.8 | 0 | 0 | 113.1 | G2137 C2163 A2167 M2168 T2169 R2287 K2291 | G2137-E2165 PolarHBondContact O-N 3.3Å; C2163-E2165 PolarHBondContact O-N 3.35Å; E2165-A2167 PolarHBondContact O-N 2.82Å; E2165-M2168 HydrophobicContact CB-CB 4.21Å; E2165-M2168 HydrophobicContact CB-CG 4Å; E2165-M2168 HydrophobicContact CB-SD 4.03Å; E2165-M2168 HydrophobicContact CG-SD 3.96Å; E2165-M2168 WeakPolarHBondContact O-CB 3.42Å; E2165-M2168 PolarHBondContact O-N 2.65Å; E2165-T2169 PolarHBondContact O-N 2.88Å; E2165-T2169 PolarHBondContact O-OG1 3.37Å; E2165-R2287 IonicContact OE1-NE 3.54Å; E2165-R2287 IonicContact OE2-NE 2.8Å; E2165-K2291 WeakPolarHBondContact OE1-CE 3.42Å; E2165-K2291 IonicContact OE1-NZ 2.8Å; E2165-K2291 PolarHBondContact OE1-NZ 3.49Å |
| 2166 | V | 79.6 | Confident | 80.6 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 14% | 0.139 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.8 | -43.6 | 174.6 | 168.7 | 0 | 0 | 0 | 0 | 110.2 | C2163 F2164 M2168 T2169 R2170 L2248 | C2163-V2166 WeakPolarHBondContact O-CG2 3.07Å; C2163-V2166 PolarHBondContact O-N 2.71Å; F2164-V2166 PolarHBondContact O-N 3.5Å; F2164-V2166 VanDerWaalsContact O-N 3.08Å; V2166-M2168 VanDerWaalsContact C-N 3.28Å; V2166-M2168 PolarHBondContact O-N 3.36Å; V2166-T2169 PolarHBondContact O-N 3.35Å; V2166-T2169 VanDerWaalsContact O-N 3.16Å; V2166-T2169 PolarHBondContact O-OG1 3.42Å; V2166-T2169 VanDerWaalsContact O-OG1 3.07Å; V2166-R2170 WeakPolarHBondContact O-CG 3.46Å; V2166-R2170 PolarHBondContact O-N 3.32Å; V2166-L2248 HydrophobicContact CG2-CD2 3.96Å |
| 2167 | A | 78.5 | Confident | 80.5 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 3% | 0.025 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.2 | -26.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | D2162 E2165 T2169 E2175 | D2162-A2167 HydrophobicContact CB-CB 4.43Å; E2165-A2167 PolarHBondContact O-N 2.82Å; A2167-T2169 VanDerWaalsContact C-N 3.34Å; A2167-E2175 HydrophobicContact CB-CB 4.21Å; A2167-E2175 WeakPolarHBondContact CB-OE2 3.29Å; A2167-E2175 PolarHBondContact O-N 2.75Å; A2167-E2175 VanDerWaalsContact O-N 3.09Å |
| 2168 | M | 78.5 | Confident | 80.4 | Confident | 71 Ų | 71 | 51 Ų | 51 | 35% | 0.35 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -76.1 | -24.2 | 176.2 | -52.5 | -167.3 | 79.4 | 0 | 0 | 112.5 | E2165 V2166 E2175 | E2165-M2168 HydrophobicContact CB-CB 4.21Å; E2165-M2168 HydrophobicContact CB-CG 4Å; E2165-M2168 HydrophobicContact CB-SD 4.03Å; E2165-M2168 HydrophobicContact CG-SD 3.96Å; E2165-M2168 WeakPolarHBondContact O-CB 3.42Å; E2165-M2168 PolarHBondContact O-N 2.65Å; V2166-M2168 VanDerWaalsContact C-N 3.28Å; V2166-M2168 PolarHBondContact O-N 3.36Å; M2168-E2175 WeakPolarHBondContact CA-O 3.45Å; M2168-E2175 WeakPolarHBondContact CB-O 3.34Å; M2168-E2175 VanDerWaalsContact CG-O 3.25Å; M2168-E2175 WeakPolarHBondContact CG-O 3.33Å |
| 2169 | T | 75.8 | Confident | 80.5 | Confident | 97 Ų | 97 | 49.4 Ų | 49.4 | 60% | 0.595 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -99.2 | -0.9 | -176.2 | 52.2 | 0 | 0 | 0 | 0 | 114 | E2165 V2166 A2167 | E2165-T2169 PolarHBondContact O-N 2.88Å; E2165-T2169 PolarHBondContact O-OG1 3.37Å; V2166-T2169 PolarHBondContact O-N 3.35Å; V2166-T2169 VanDerWaalsContact O-N 3.16Å; V2166-T2169 PolarHBondContact O-OG1 3.42Å; V2166-T2169 VanDerWaalsContact O-OG1 3.07Å; A2167-T2169 VanDerWaalsContact C-N 3.34Å |
| 2170 | R | 75.6 | Confident | 80.8 | Confident | 81 Ų | 81 | 47.1 Ų | 47.1 | 31% | 0.306 | 23% | 0.231 | S | C | . | . | trans | -61.4 | 143.8 | 176.1 | -77.6 | 178.4 | 171.6 | 164.7 | -5.5 | 112.7 | D2162 V2166 | D2162-R2170 IonicContact OD1-CZ 3.17Å; D2162-R2170 IonicContact OD1-NH2 3.83Å; D2162-R2170 PolarHBondContact OD1-NH2 3.3Å; D2162-R2170 IonicContact OD2-CZ 3.14Å; D2162-R2170 IonicContact OD2-NH1 3.41Å; D2162-R2170 PolarHBondContact OD2-NH1 3.48Å; D2162-R2170 IonicContact OD2-NH2 2.98Å; D2162-R2170 PolarHBondContact OD2-NH2 2.99Å; V2166-R2170 WeakPolarHBondContact O-CG 3.46Å; V2166-R2170 PolarHBondContact O-N 3.32Å | ||
| 2171 | E | 71.5 | Confident | 81.1 | Confident | 146 Ų | 146 | 47.2 Ų | 47.2 | 68% | 0.682 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -71.9 | -35.6 | 179.1 | -70.4 | -163.1 | 160.3 | 0 | 0 | 113.6 | ||
| 2172 | K | 73.4 | Confident | 81.6 | Confident | 176 Ų | 176 | 46.4 Ų | 46.4 | 77% | 0.765 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -105.4 | 123.6 | 179.1 | -67.8 | -174.9 | 179.9 | -178.9 | 0 | 109.8 | ||
| 2173 | F | 77.5 | Confident | 81.9 | Confident | 83 Ų | 83 | 47 Ų | 47 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 51.7 | 63 | 178.7 | -52.7 | -76.7 | 0 | 0 | 0 | 113.8 | E2175 Y2328 | F2173-E2175 PolarHBondContact O-N 3.44Å; F2173-Y2328 HydrophobicContact CD2-CD2 4.43Å; F2173-Y2328 HydrophobicContact CE2-CD2 4.45Å |
| 2174 | P | 83 | Confident | 82.1 | Confident | 38 Ų | 38 | 47 Ų | 47 | 25% | 0.247 | 22% | 0.223 | C | C | . | . | trans | -61.8 | 131 | 178.5 | 26 | -33.7 | 0 | 0 | 0 | 111.2 | K2176 | P2174-K2176 PolarHBondContact O-N 3.38Š| ||
| 2175 | E | 83.3 | Confident | 82.5 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | trans | -69.7 | 118.3 | 172.1 | -103.5 | 178.8 | 158.9 | 0 | 0 | 109.2 | G2139 D2140 R2141 A2167 M2168 F2173 W2331 | G2139-E2175 VanDerWaalsContact CA-OE2 3.25Å; G2139-E2175 WeakPolarHBondContact CA-OE2 3.31Å; D2140-E2175 PolarHBondContact N-OE2 3.26Å; R2141-E2175 PolarHBondContact N-OE1 3.06Å; A2167-E2175 HydrophobicContact CB-CB 4.21Å; A2167-E2175 WeakPolarHBondContact CB-OE2 3.29Å; A2167-E2175 PolarHBondContact O-N 2.75Å; A2167-E2175 VanDerWaalsContact O-N 3.09Å; M2168-E2175 WeakPolarHBondContact CA-O 3.45Å; M2168-E2175 WeakPolarHBondContact CB-O 3.34Å; M2168-E2175 VanDerWaalsContact CG-O 3.25Å; M2168-E2175 WeakPolarHBondContact CG-O 3.33Å; F2173-E2175 PolarHBondContact O-N 3.44Å; E2175-W2331 PolarHBondContact OE1-NE1 2.96Å | ||
| 2176 | K | 83.8 | Confident | 82.8 | Confident | 99 Ų | 99 | 44.1 Ų | 44.1 | 43% | 0.43 | 21% | 0.21 | S | C | . | . | trans | -100.8 | 11.9 | -179.5 | -69.4 | -79.8 | -177 | 174.4 | 0 | 113.2 | P2174 N2323 | P2174-K2176 PolarHBondContact O-N 3.38Å; K2176-N2323 HydrophobicContact CB-CB 4.21Å | ||
| 2177 | I | 87.4 | Confident | 82.9 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | trans | -117.9 | 138.2 | -169.5 | 16.2 | -179.2 | 0 | 0 | 0 | 111 | Q2317 N2323 L2324 C2327 W2331 | I2177-Q2317 WeakPolarHBondContact CG2-O 3.16Å; I2177-N2323 HydrophobicContact CG2-CB 4.05Å; I2177-L2324 HydrophobicContact CD1-CD2 3.95Å; I2177-C2327 WeakPolarHBondContact CD1-SG 3.48Å; I2177-W2331 HydrophobicContact CD1-CH2 3.22Å; I2177-W2331 HydrophobicContact CD1-CZ2 3.51Å; I2177-W2331 HydrophobicContact CD1-CZ3 3.8Å | ||
| 2178 | P | 87.5 | Confident | 83.1 | Confident | 16 Ų | 16 | 43 Ų | 43 | 10% | 0.104 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -72.9 | -34.1 | -176.2 | 27.8 | -34.1 | 0 | 0 | 0 | 112.9 | Y2134 L2314 Q2317 A2318 | Y2134-P2178 HydrophobicContact CD2-CB 3.92Å; P2178-L2314 HydrophobicContact CB-CD2 3.91Å; P2178-L2314 HydrophobicContact CG-CD2 4.19Å; P2178-Q2317 HydrophobicContact CG-CB 4.17Å; P2178-A2318 HydrophobicContact CG-CB 4.15Å |
| 2179 | F | 89.9 | Confident | 83.4 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 4% | 0.039 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -157.9 | 162.2 | 174.2 | 47.7 | -98.3 | 0 | 0 | 0 | 109.5 | S2130 M2131 L2181 F2213 L2314 A2318 | S2130-F2179 WeakPolarHBondContact OG-CD2 3.16Å; M2131-F2179 HydrophobicContact CE-CD1 4.07Å; M2131-F2179 HydrophobicContact CE-CE1 3.33Å; M2131-F2179 HydrophobicContact CE-CZ 3.72Å; F2179-L2181 HydrophobicContact CD2-CB 4.07Å; F2179-L2181 HydrophobicContact CE2-CB 4.01Å; F2179-L2181 HydrophobicContact CE2-CD2 4.07Å; F2179-L2181 PolarHBondContact O-N 3.19Å; F2179-F2213 HydrophobicContact CE2-CZ 4.09Å; F2179-L2314 HydrophobicContact CE1-CB 3.95Å; F2179-L2314 HydrophobicContact CZ-CB 4.27Å; F2179-A2318 HydrophobicContact CD2-CB 4.01Å; F2179-A2318 HydrophobicContact CE2-CB 3.65Å; F2179-A2318 HydrophobicContact CZ-CB 4.11Å |
| 2180 | R | 90.2 | Very high | 83.4 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 3% | 0.03 | 16% | 0.163 | C | C | . | . | trans | -74.9 | 111.2 | 178.9 | -174.2 | -178.9 | -162.9 | 124.3 | 12.1 | 110.8 | R2141 H2142 T2182 L2185 W2331 C2332 | R2141-R2180 HydrophobicContact CB-CB 4.05Å; R2141-R2180 WeakPolarHBondContact O-CD 3.46Å; R2141-R2180 PolarHBondContact O-NH1 2.83Å; H2142-R2180 VanDerWaalsContact C-NH1 3.33Å; R2180-T2182 HydrophobicContact CG-CG2 3.91Å; R2180-L2185 HydrophobicContact CB-CD1 4.48Å; R2180-L2185 HydrophobicContact CG-CD1 3.76Å; R2180-W2331 HydrophobicContact CB-CH2 4.07Å; R2180-W2331 HydrophobicContact CB-CZ2 3.91Å; R2180-W2331 HydrophobicContact CG-CH2 3.63Å; R2180-W2331 HydrophobicContact CG-CZ2 3.83Å; R2180-W2331 HydrophobicContact CG-CZ3 4.46Å; R2180-W2331 VanDerWaalsContact CZ-O 3.27Å; R2180-W2331 PolarHBondContact NH1-O 2.88Å; R2180-W2331 PolarHBondContact NH2-O 3.22Å; R2180-C2332 PolarHBondContact NH2-O 2.79Å | ||
| 2181 | L | 88.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | trans | -134.6 | 62.2 | 172.2 | -165.4 | 65.4 | 0 | 0 | 0 | 110.6 | F2179 V2186 M2189 V2209 F2213 I2315 A2318 T2319 | F2179-L2181 HydrophobicContact CD2-CB 4.07Å; F2179-L2181 HydrophobicContact CE2-CB 4.01Å; F2179-L2181 HydrophobicContact CE2-CD2 4.07Å; F2179-L2181 PolarHBondContact O-N 3.19Å; L2181-V2186 HydrophobicContact CD1-CG2 3.79Å; L2181-V2186 HydrophobicContact CD2-CG2 4.43Å; L2181-V2186 HydrophobicContact CG-CG2 3.7Å; L2181-M2189 HydrophobicContact CD1-CE 3.68Å; L2181-V2209 HydrophobicContact CD2-CG1 3.77Å; L2181-F2213 HydrophobicContact CD1-CE1 4.47Å; L2181-F2213 HydrophobicContact CD1-CE2 4.06Å; L2181-F2213 HydrophobicContact CD1-CZ 3.93Å; L2181-F2213 HydrophobicContact CD2-CE1 4.07Å; L2181-F2213 HydrophobicContact CD2-CZ 4.18Å; L2181-I2315 HydrophobicContact CD2-CG2 4.4Å; L2181-A2318 HydrophobicContact CB-CB 3.88Å; L2181-A2318 HydrophobicContact CD2-CB 4.5Å; L2181-T2319 HydrophobicContact CD2-CG2 3.93Å; L2181-T2319 HydrophobicContact CG-CG2 4.26Å | ||
| 2182 | T | 87.5 | Confident | 81.5 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | trans | -77 | 165.4 | -178.6 | 66.5 | 0 | 0 | 0 | 0 | 111.8 | R2180 M2184 L2185 V2186 L2324 W2331 W2335 | R2180-T2182 HydrophobicContact CG-CG2 3.91Å; T2182-M2184 VanDerWaalsContact C-N 3.31Å; T2182-M2184 PolarHBondContact O-N 3.46Å; T2182-L2185 PolarHBondContact O-N 3.05Å; T2182-V2186 WeakPolarHBondContact O-CG2 3.48Å; T2182-V2186 PolarHBondContact O-N 2.93Å; T2182-V2186 VanDerWaalsContact O-N 3.1Å; T2182-L2324 HydrophobicContact CG2-CD2 4.14Å; T2182-W2331 HydrophobicContact CG2-CH2 3.89Å; T2182-W2331 HydrophobicContact CG2-CZ3 3.59Å; T2182-W2335 WeakPolarHBondContact CB-O 3.47Å; T2182-W2335 PolarHBondContact OG1-O 3.5Å | ||
| 2183 | R | 84.8 | Confident | 80.1 | Confident | 34 Ų | 34 | 23.9 Ų | 23.9 | 13% | 0.128 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.5 | -35.8 | -171.4 | 69.9 | 168 | -178.3 | 167.2 | -2.3 | 113.5 | L2093 T2096 V2186 S2187 R2192 F2334 W2335 | L2093-R2183 VanDerWaalsContact CD2-CZ 3.44Å; L2093-R2183 PolarHBondContact O-NH1 3.18Å; T2096-R2183 PolarHBondContact O-NH1 3.19Å; T2096-R2183 PolarHBondContact OG1-NH2 3.31Å; R2183-V2186 PolarHBondContact O-N 3.29Å; R2183-S2187 WeakPolarHBondContact O-CB 3.25Å; R2183-S2187 PolarHBondContact O-N 2.95Å; R2183-S2187 PolarHBondContact O-OG 2.89Å; R2183-R2192 PolarHBondContact O-NH1 2.83Å; R2183-F2334 PolarHBondContact NE-O 2.99Å; R2183-F2334 VanDerWaalsContact NE-O 3.12Å; R2183-F2334 PolarHBondContact NH2-O 3.42Å; R2183-W2335 WeakPolarHBondContact CG-OXT 3.46Å; R2183-W2335 PolarHBondContact N-O 3.36Å; R2183-W2335 PolarHBondContact NE-OXT 3.28Å |
| 2184 | M | 87.3 | Confident | 78.6 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -73.8 | -32.2 | 179.8 | 176.8 | -176.5 | -59.2 | 0 | 0 | 112.6 | L2052 G2098 D2100 L2101 T2182 A2188 W2335 | L2052-M2184 HydrophobicContact CD1-SD 3.73Å; L2052-M2184 HydrophobicContact CD2-CE 4.32Å; L2052-M2184 HydrophobicContact CD2-SD 3.5Å; L2052-M2184 VanDerWaalsContact CD2-SD 3.5Å; L2052-M2184 HydrophobicContact CG-SD 4.26Å; G2098-M2184 WeakPolarHBondContact O-CA 3.19Å; G2098-M2184 WeakPolarHBondContact O-CB 3.35Å; G2098-M2184 WeakPolarHBondContact O-CG 3.05Å; D2100-M2184 HydrophobicContact CB-CE 4.21Å; D2100-M2184 HydrophobicContact CB-SD 4.29Å; L2101-M2184 HydrophobicContact CB-CG 3.69Å; L2101-M2184 HydrophobicContact CB-SD 4.4Å; T2182-M2184 VanDerWaalsContact C-N 3.31Å; T2182-M2184 PolarHBondContact O-N 3.46Å; M2184-A2188 PolarHBondContact O-N 3.21Å; M2184-W2335 WeakPolarHBondContact CB-O 3.36Å; M2184-W2335 WeakPolarHBondContact CB-OXT 3.34Å; M2184-W2335 HydrophobicContact CE-CB 3.99Å; M2184-W2335 HydrophobicContact CE-CG 4.22Å; M2184-W2335 PolarHBondContact N-O 2.96Å; M2184-W2335 VanDerWaalsContact N-O 3.12Å; M2184-W2335 PolarHBondContact N-OXT 3.27Å; M2184-W2335 HydrophobicContact SD-CB 4.09Å |
| 2185 | L | 88.6 | Confident | 76.6 | Confident | 5 Ų | 5 | 26.4 Ų | 26.4 | 3% | 0.026 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 171.3 | -63.9 | -177.7 | 0 | 0 | 0 | 111 | L2048 L2101 Y2122 L2126 R2180 T2182 A2188 | L2048-L2185 HydrophobicContact CD1-CD2 4.44Å; L2048-L2185 HydrophobicContact CD2-CD2 3.94Å; L2101-L2185 HydrophobicContact CD2-CD2 3.78Å; Y2122-L2185 WeakPolarHBondContact OH-CA 3.41Å; Y2122-L2185 VanDerWaalsContact OH-CD2 3.26Å; Y2122-L2185 WeakPolarHBondContact OH-CD2 3.49Å; Y2122-L2185 PolarHBondContact OH-O 3.06Å; L2126-L2185 HydrophobicContact CD2-CB 4.22Å; R2180-L2185 HydrophobicContact CB-CD1 4.48Å; R2180-L2185 HydrophobicContact CG-CD1 3.76Å; T2182-L2185 PolarHBondContact O-N 3.05Å; L2185-A2188 PolarHBondContact O-N 3.41Å |
| 2186 | V | 86.6 | Confident | 74.4 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.3 | -42.5 | 176.5 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | L2181 T2182 R2183 A2188 M2189 V2209 | L2181-V2186 HydrophobicContact CD1-CG2 3.79Å; L2181-V2186 HydrophobicContact CD2-CG2 4.43Å; L2181-V2186 HydrophobicContact CG-CG2 3.7Å; T2182-V2186 WeakPolarHBondContact O-CG2 3.48Å; T2182-V2186 PolarHBondContact O-N 2.93Å; T2182-V2186 VanDerWaalsContact O-N 3.1Å; R2183-V2186 PolarHBondContact O-N 3.29Å; V2186-A2188 PolarHBondContact O-N 3.49Å; V2186-M2189 WeakPolarHBondContact O-CB 3.12Å; V2186-M2189 PolarHBondContact O-N 2.89Å; V2186-M2189 VanDerWaalsContact O-N 3.07Å; V2186-V2209 HydrophobicContact CG1-CG2 4.02Å; V2186-V2209 HydrophobicContact CG2-CG2 4.49Å |
| 2187 | S | 81.2 | Confident | 72.1 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.3 | -23.6 | 178 | -66.1 | 0 | 0 | 0 | 0 | 113.4 | R2102 R2183 | R2102-S2187 WeakPolarHBondContact CD-O 3.47Å; R2183-S2187 WeakPolarHBondContact O-CB 3.25Å; R2183-S2187 PolarHBondContact O-N 2.95Å; R2183-S2187 PolarHBondContact O-OG 2.89Å |
| 2188 | A | 84 | Confident | 69.3 | Low | 2 Ų | 2 | 42.9 Ų | 42.9 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -10.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L2101 L2105 Y2122 M2184 L2185 V2186 | L2101-A2188 HydrophobicContact CB-CB 4.06Å; L2101-A2188 HydrophobicContact CD2-CB 3.72Å; L2101-A2188 HydrophobicContact CG-CB 3.74Å; L2105-A2188 HydrophobicContact CD1-CB 4Å; Y2122-A2188 HydrophobicContact CE1-CB 3.78Å; M2184-A2188 PolarHBondContact O-N 3.21Å; L2185-A2188 PolarHBondContact O-N 3.41Å; V2186-A2188 PolarHBondContact O-N 3.49Å |
| 2189 | M | 85.1 | Confident | 66.6 | Low | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -80 | -140 | 174 | -56.8 | 174.1 | 177 | 0 | 0 | 110.2 | R2119 Y2122 T2123 L2126 L2181 V2186 F2213 | R2119-M2189 WeakPolarHBondContact CD-O 3.46Å; Y2122-M2189 HydrophobicContact CE1-CG 4.17Å; T2123-M2189 HydrophobicContact CG2-CB 4.23Å; T2123-M2189 HydrophobicContact CG2-CG 4.01Å; T2123-M2189 HydrophobicContact CG2-SD 4.18Å; L2126-M2189 HydrophobicContact CD2-CE 3.28Å; L2126-M2189 HydrophobicContact CG-CE 4.05Å; L2181-M2189 HydrophobicContact CD1-CE 3.68Å; V2186-M2189 WeakPolarHBondContact O-CB 3.12Å; V2186-M2189 PolarHBondContact O-N 2.89Å; V2186-M2189 VanDerWaalsContact O-N 3.07Å; M2189-F2213 HydrophobicContact CE-CB 4.43Å; M2189-F2213 HydrophobicContact CE-CD2 3.36Å; M2189-F2213 HydrophobicContact CE-CE2 3.8Å; M2189-F2213 HydrophobicContact CE-CG 4.02Å; M2189-F2213 HydrophobicContact SD-CB 4.07Å; M2189-F2213 HydrophobicContact SD-CD2 4.12Å; M2189-F2213 HydrophobicContact SD-CG 4.23Å |
| 2190 | E | 75.6 | Confident | 63.6 | Low | 14 Ų | 14 | 51.9 Ų | 51.9 | 7% | 0.065 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -76.9 | 155.2 | 176.2 | -43.8 | -176.1 | -150.2 | 0 | 0 | 110.5 | A1315 R2192 G2208 N2212 | A1315-E2190 WeakPolarHBondContact CA-OE2 3.48Å; A1315-E2190 WeakPolarHBondContact CB-OE2 3.49Å; E2190-R2192 PolarHBondContact O-N 3.44Å; E2190-G2208 WeakPolarHBondContact O-CA 3.32Å; E2190-N2212 WeakPolarHBondContact OE1-CA 3.39Å; E2190-N2212 WeakPolarHBondContact OE1-CB 3.2Å; E2190-N2212 VanDerWaalsContact OE1-CG 3.29Å; E2190-N2212 PolarHBondContact OE1-N 3.03Å; E2190-N2212 PolarHBondContact OE1-ND2 2.92Å |
| 2191 | V | 60.3 | Low | 60.6 | Low | 15 Ų | 15 | 57.1 Ų | 57.1 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 122.1 | -155.1 | -166.6 | 0 | 0 | 0 | 0 | 114.2 | E1288 F1291 I1292 T2207 | E1288-V2191 HydrophobicContact CB-CG2 3.54Å; E1288-V2191 HydrophobicContact CG-CG2 3.22Å; E1288-V2191 WeakPolarHBondContact OE2-CG2 3.45Å; F1291-V2191 HydrophobicContact CD1-CB 3.94Å; F1291-V2191 HydrophobicContact CD1-CG1 3.43Å; F1291-V2191 VanDerWaalsContact CD1-CG1 3.43Å; F1291-V2191 HydrophobicContact CE1-CB 4.19Å; F1291-V2191 HydrophobicContact CE1-CG1 3.95Å; F1291-V2191 HydrophobicContact CG-CG1 4.44Å; I1292-V2191 HydrophobicContact CD1-CG1 4.34Å; I1292-V2191 HydrophobicContact CG1-CG1 3.75Å; V2191-T2207 WeakPolarHBondContact O-CB 2.92Å; V2191-T2207 PolarHBondContact O-OG1 3.15Å |
| 2192 | R | 45.9 | Very low | 57.9 | Low | 58 Ų | 58 | 63.5 Ų | 63.5 | 22% | 0.219 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 134.7 | 168.3 | -174.9 | -175.8 | 179.8 | 156 | 2.2 | 110.7 | R2183 E2190 | R2183-R2192 PolarHBondContact O-NH1 2.83Å; E2190-R2192 PolarHBondContact O-N 3.44Å |
| 2193 | R | 45 | Very low | 55.3 | Low | 78 Ų | 78 | 73.8 Ų | 73.8 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -94.9 | 138.2 | 163.6 | -153.6 | -177.6 | -168.6 | -160.7 | 4.3 | 109.7 | F1291 V1293 D2195 | F1291-R2193 HydrophobicContact CE1-CB 4.49Å; V1293-R2193 PolarHBondContact O-NH2 2.98Å; R2193-D2195 IonicContact NH1-OD1 2.71Å |
| 2194 | V | 44.2 | Very low | 52.8 | Low | 79 Ų | 79 | 75.1 Ų | 75.1 | 48% | 0.479 | 40% | 0.403 | S | S | . | . | trans | -98.8 | 100.2 | 170.1 | -178.6 | 0 | 0 | 0 | 0 | 105.9 | I2196 | V2194-I2196 HydrophobicContact CG1-CG1 4.24Å; V2194-I2196 PolarHBondContact O-N 3.31Å | ||
| 2195 | D | 41.4 | Very low | 50.6 | Low | 95 Ų | 95 | 76.8 Ų | 76.8 | 51% | 0.508 | 41% | 0.414 | S | S | . | . | trans | -74 | 108.8 | 172.9 | -73.8 | -31 | 0 | 0 | 0 | 108.3 | R2193 H2197 | R2193-D2195 IonicContact NH1-OD1 2.71Å; D2195-H2197 PolarHBondContact O-N 3.35Å | ||
| 2196 | I | 38.6 | Very low | 48.5 | Very low | 141 Ų | 141 | 76.9 Ų | 76.9 | 72% | 0.723 | 42% | 0.415 | S | S | * | . | trans | -77.9 | -3.8 | -175.8 | -66.3 | 169.6 | 0 | 0 | 0 | 112.2 | V2194 | V2194-I2196 HydrophobicContact CG1-CG1 4.24Å; V2194-I2196 PolarHBondContact O-N 3.31Å | ||
| 2197 | H | 34.1 | Very low | 46.9 | Very low | 161 Ų | 161 | 77.2 Ų | 77.2 | 75% | 0.745 | 42% | 0.417 | S | S | * | . | trans | -140.6 | 90.5 | -174.8 | -72.8 | -44.6 | 0 | 0 | 0 | 112.4 | D2195 | D2195-H2197 PolarHBondContact O-N 3.35Š| ||
| 2198 | L | 29.9 | Very low | 46.3 | Very low | 172 Ų | 172 | 77.2 Ų | 77.2 | 90% | 0.901 | 42% | 0.417 | S | S | * | . | trans | -174.8 | 110.9 | 138.5 | -97.2 | 143.8 | 0 | 0 | 0 | 109 | ||||
| 2199 | S | 29.6 | Very low | 46 | Very low | 101 Ų | 101 | 77.3 Ų | 77.3 | 71% | 0.706 | 42% | 0.418 | S | S | * | . | trans | -63.7 | 141.8 | 169.8 | 50.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 2200 | C | 26.9 | Very low | 45.5 | Very low | 113 Ų | 113 | 77.8 Ų | 77.8 | 76% | 0.764 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 83.5 | 120.3 | 167.4 | -49.7 | 0 | 0 | 0 | 0 | 117.3 | ||
| 2201 | T | 26.8 | Very low | 45.7 | Very low | 118 Ų | 118 | 77.1 Ų | 77.1 | 72% | 0.724 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 89.9 | 95 | 157.3 | 67.3 | 0 | 0 | 0 | 0 | 118.8 | R2203 | T2201-R2203 PolarHBondContact O-N 3.17Š|
| 2202 | C | 31.9 | Very low | 46.8 | Very low | 136 Ų | 136 | 76.5 Ų | 76.5 | 92% | 0.919 | 41% | 0.413 | S | S | * | . | trans | 33.7 | 82.4 | 140.4 | -51.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 2203 | R | 32.9 | Very low | 48.9 | Very low | 219 Ų | 219 | 73.8 Ų | 73.8 | 83% | 0.826 | 40% | 0.403 | S | S | * | . | trans | -139.2 | 121.6 | 163.7 | -69.2 | -169.3 | -176.3 | -163 | 0.2 | 112.1 | T2201 | T2201-R2203 PolarHBondContact O-N 3.17Š| ||
| 2204 | C | 34.2 | Very low | 51 | Low | 61 Ų | 61 | 71.6 Ų | 71.6 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | trans | -58.8 | 151.8 | -178.4 | -79.2 | 0 | 0 | 0 | 0 | 113.8 | V2206 | C2204-V2206 WeakPolarHBondContact O-CG2 3.31Å; C2204-V2206 PolarHBondContact O-N 3.32Å | ||
| 2205 | P | 40.3 | Very low | 52.9 | Low | 37 Ų | 37 | 69.7 Ų | 69.7 | 24% | 0.24 | 38% | 0.381 | C | S | . | . | trans | -80.9 | 113.5 | 179.2 | 31.2 | -30.4 | 0 | 0 | 0 | 111.4 | V2209 | P2205-V2209 HydrophobicContact CG-CG2 4.44Š| ||
| 2206 | V | 44 | Very low | 55.2 | Low | 7 Ų | 7 | 65.1 Ų | 65.1 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -8.2 | -159.4 | -153.7 | 0 | 0 | 0 | 0 | 115.8 | Y1322 K1325 C2204 E2210 | Y1322-V2206 HydrophobicContact CD2-CB 3.65Å; Y1322-V2206 HydrophobicContact CD2-CG2 4.48Å; Y1322-V2206 HydrophobicContact CE2-CB 4.48Å; Y1322-V2206 HydrophobicContact CG-CB 4.35Å; K1325-V2206 HydrophobicContact CB-CB 4.45Å; K1325-V2206 HydrophobicContact CB-CG1 3.89Å; K1325-V2206 HydrophobicContact CB-CG2 3.97Å; K1325-V2206 HydrophobicContact CD-CB 4.31Å; K1325-V2206 HydrophobicContact CD-CG1 3.38Å; K1325-V2206 HydrophobicContact CD-CG2 3.89Å; K1325-V2206 HydrophobicContact CG-CG1 3.72Å; K1325-V2206 HydrophobicContact CG-CG2 4.43Å; C2204-V2206 WeakPolarHBondContact O-CG2 3.31Å; C2204-V2206 PolarHBondContact O-N 3.32Å; V2206-E2210 HydrophobicContact CG1-CG 3.81Å; V2206-E2210 VanDerWaalsContact O-CB 3.24Å; V2206-E2210 WeakPolarHBondContact O-CB 3.41Å; V2206-E2210 WeakPolarHBondContact O-CG 3.35Å |
| 2207 | T | 54.2 | Low | 57.7 | Low | 10 Ų | 10 | 58.4 Ų | 58.4 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -30.5 | 178.1 | 33.8 | 0 | 0 | 0 | 0 | 113.8 | F1291 Y1322 V2191 | F1291-T2207 HydrophobicContact CZ-CG2 4.22Å; Y1322-T2207 VanDerWaalsContact CB-CG2 3.47Å; Y1322-T2207 HydrophobicContact CD1-CG2 3.83Å; Y1322-T2207 HydrophobicContact CD2-CG2 3.23Å; Y1322-T2207 HydrophobicContact CE1-CG2 4.38Å; Y1322-T2207 HydrophobicContact CE2-CG2 3.86Å; Y1322-T2207 HydrophobicContact CG-CG2 3.22Å; V2191-T2207 WeakPolarHBondContact O-CB 2.92Å; V2191-T2207 PolarHBondContact O-OG1 3.15Å |
| 2208 | G | 67.1 | Low | 60.4 | Low | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -44.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E2190 | E2190-G2208 WeakPolarHBondContact O-CA 3.32Š|
| 2209 | V | 78.8 | Confident | 63.1 | Low | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.024 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -95.6 | -26.2 | -170.6 | -143.8 | 0 | 0 | 0 | 0 | 113 | L2181 V2186 P2205 F2213 R2214 I2315 | L2181-V2209 HydrophobicContact CD2-CG1 3.77Å; V2186-V2209 HydrophobicContact CG1-CG2 4.02Å; V2186-V2209 HydrophobicContact CG2-CG2 4.49Å; P2205-V2209 HydrophobicContact CG-CG2 4.44Å; V2209-F2213 HydrophobicContact CG1-CB 4.47Å; V2209-F2213 HydrophobicContact CG1-CD1 3.36Å; V2209-F2213 HydrophobicContact CG1-CE1 3.79Å; V2209-F2213 HydrophobicContact CG1-CG 4.09Å; V2209-R2214 WeakPolarHBondContact O-CB 3.4Å; V2209-R2214 PolarHBondContact O-N 3.09Å; V2209-I2315 HydrophobicContact CG1-CD1 4.02Å; V2209-I2315 HydrophobicContact CG1-CG1 4.32Å; V2209-I2315 HydrophobicContact CG1-CG2 3.9Å |
| 2210 | E | 74.8 | Confident | 66.1 | Low | 13 Ų | 13 | 41.6 Ų | 41.6 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -14.1 | -171.3 | -65.2 | -76.4 | 174 | 0 | 0 | 114 | K1325 V2206 R2214 | K1325-E2210 IonicContact NZ-OE1 3.61Å; K1325-E2210 PolarHBondContact NZ-OE1 2.79Å; V2206-E2210 HydrophobicContact CG1-CG 3.81Å; V2206-E2210 VanDerWaalsContact O-CB 3.24Å; V2206-E2210 WeakPolarHBondContact O-CB 3.41Å; V2206-E2210 WeakPolarHBondContact O-CG 3.35Å; E2210-R2214 IonicContact OE1-CZ 3.86Å; E2210-R2214 IonicContact OE1-NH1 3.43Å; E2210-R2214 PolarHBondContact OE1-NH1 2.81Å; E2210-R2214 IonicContact OE1-NH2 3.62Å; E2210-R2214 PolarHBondContact OE1-NH2 2.73Å; E2210-R2214 IonicContact OE2-CZ 2.68Å; E2210-R2214 IonicContact OE2-NE 3.32Å; E2210-R2214 PolarHBondContact OE2-NE 3.32Å; E2210-R2214 IonicContact OE2-NH1 2.69Å; E2210-R2214 PolarHBondContact OE2-NH1 3.03Å; E2210-R2214 IonicContact OE2-NH2 3.32Å |
| 2211 | G | 79.1 | Confident | 69.1 | Low | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -122.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1314 F2213 R2214 L2215 | E1314-G2211 WeakPolarHBondContact O-CA 3.42Å; G2211-F2213 VanDerWaalsContact C-N 3.25Å; G2211-F2213 PolarHBondContact O-N 3.5Å; G2211-R2214 PolarHBondContact O-N 3.15Å; G2211-L2215 PolarHBondContact O-N 3.24Å |
| 2212 | N | 83.9 | Confident | 72.1 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.7 | -36.2 | -178.9 | -78.1 | -69.7 | 0 | 0 | 0 | 112.5 | E1314 T2123 E2190 T2216 | E1314-N2212 VanDerWaalsContact CB-OD1 3.3Å; E1314-N2212 WeakPolarHBondContact CB-OD1 3.44Å; E1314-N2212 VanDerWaalsContact CD-OD1 3.23Å; E1314-N2212 PolarHBondContact OE2-OD1 2.93Å; E1314-N2212 VanDerWaalsContact OE2-OD1 3.14Å; T2123-N2212 HydrophobicContact CG2-CB 4.05Å; E2190-N2212 WeakPolarHBondContact OE1-CA 3.39Å; E2190-N2212 WeakPolarHBondContact OE1-CB 3.2Å; E2190-N2212 VanDerWaalsContact OE1-CG 3.29Å; E2190-N2212 PolarHBondContact OE1-N 3.03Å; E2190-N2212 PolarHBondContact OE1-ND2 2.92Å; N2212-T2216 WeakPolarHBondContact O-CB 3.46Å; N2212-T2216 PolarHBondContact O-N 3.22Å; N2212-T2216 PolarHBondContact O-OG1 3.41Å |
| 2213 | F | 88.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62 | -52.8 | -175.3 | -178.4 | -87.4 | 0 | 0 | 0 | 111.6 | T2123 L2126 A2127 F2179 L2181 M2189 V2209 G2211 T2216 C2217 I2315 | T2123-F2213 HydrophobicContact CG2-CB 3.93Å; L2126-F2213 HydrophobicContact CG-CE2 4.1Å; A2127-F2213 VanDerWaalsContact CA-CE2 3.47Å; A2127-F2213 HydrophobicContact CB-CD2 3.64Å; A2127-F2213 HydrophobicContact CB-CE2 3.84Å; A2127-F2213 HydrophobicContact CB-CG 4.2Å; F2179-F2213 HydrophobicContact CE2-CZ 4.09Å; L2181-F2213 HydrophobicContact CD1-CE1 4.47Å; L2181-F2213 HydrophobicContact CD1-CE2 4.06Å; L2181-F2213 HydrophobicContact CD1-CZ 3.93Å; L2181-F2213 HydrophobicContact CD2-CE1 4.07Å; L2181-F2213 HydrophobicContact CD2-CZ 4.18Å; M2189-F2213 HydrophobicContact CE-CB 4.43Å; M2189-F2213 HydrophobicContact CE-CD2 3.36Å; M2189-F2213 HydrophobicContact CE-CE2 3.8Å; M2189-F2213 HydrophobicContact CE-CG 4.02Å; M2189-F2213 HydrophobicContact SD-CB 4.07Å; M2189-F2213 HydrophobicContact SD-CD2 4.12Å; M2189-F2213 HydrophobicContact SD-CG 4.23Å; V2209-F2213 HydrophobicContact CG1-CB 4.47Å; V2209-F2213 HydrophobicContact CG1-CD1 3.36Å; V2209-F2213 HydrophobicContact CG1-CE1 3.79Å; V2209-F2213 HydrophobicContact CG1-CG 4.09Å; G2211-F2213 VanDerWaalsContact C-N 3.25Å; G2211-F2213 PolarHBondContact O-N 3.5Å; F2213-T2216 PolarHBondContact O-N 3.01Å; F2213-C2217 VanDerWaalsContact CE1-SG 3.55Å; F2213-C2217 PolarHBondContact O-N 2.95Å; F2213-C2217 PolarHBondContact O-SG 3.37Å; F2213-I2315 HydrophobicContact CD1-CD1 4.36Å; F2213-I2315 HydrophobicContact CE1-CD1 4.22Å; F2213-I2315 HydrophobicContact CE1-CG1 4.17Å |
| 2214 | R | 88.7 | Confident | 77.3 | Confident | 33 Ų | 33 | 16.4 Ų | 16.4 | 13% | 0.125 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.7 | -52.1 | 177.9 | 172.4 | 169.6 | -68 | -155.2 | -12 | 112.1 | V2209 E2210 G2211 T2216 C2217 E2218 V2311 E2312 | V2209-R2214 WeakPolarHBondContact O-CB 3.4Å; V2209-R2214 PolarHBondContact O-N 3.09Å; E2210-R2214 IonicContact OE1-CZ 3.86Å; E2210-R2214 IonicContact OE1-NH1 3.43Å; E2210-R2214 PolarHBondContact OE1-NH1 2.81Å; E2210-R2214 IonicContact OE1-NH2 3.62Å; E2210-R2214 PolarHBondContact OE1-NH2 2.73Å; E2210-R2214 IonicContact OE2-CZ 2.68Å; E2210-R2214 IonicContact OE2-NE 3.32Å; E2210-R2214 PolarHBondContact OE2-NE 3.32Å; E2210-R2214 IonicContact OE2-NH1 2.69Å; E2210-R2214 PolarHBondContact OE2-NH1 3.03Å; E2210-R2214 IonicContact OE2-NH2 3.32Å; G2211-R2214 PolarHBondContact O-N 3.15Å; R2214-T2216 VanDerWaalsContact C-N 3.26Å; R2214-T2216 PolarHBondContact O-N 3Å; R2214-C2217 WeakPolarHBondContact O-CA 3.3Å; R2214-C2217 WeakPolarHBondContact O-CB 3.25Å; R2214-C2217 PolarHBondContact O-N 3.27Å; R2214-E2218 HydrophobicContact CG-CG 4.5Å; R2214-E2218 WeakPolarHBondContact CG-OE1 3.31Å; R2214-E2218 WeakPolarHBondContact O-CG 3.39Å; R2214-E2218 PolarHBondContact O-N 3.04Å; R2214-V2311 HydrophobicContact CG-CG1 4.49Å; R2214-E2312 IonicContact CZ-OE2 3.25Å; R2214-E2312 IonicContact NH1-OE2 2.8Å; R2214-E2312 PolarHBondContact NH1-OE2 3.23Å; R2214-E2312 IonicContact NH2-OE1 2.75Å; R2214-E2312 IonicContact NH2-OE2 3.86Å; R2214-E2312 PolarHBondContact NH2-OE2 3.04Å |
| 2215 | L | 86 | Confident | 79.8 | Confident | 38 Ų | 38 | 15.8 Ų | 15.8 | 20% | 0.199 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.6 | -38.9 | 179.8 | -114 | 137.2 | 0 | 0 | 0 | 111.6 | E1314 V1317 G2211 E2218 N2219 | E1314-L2215 HydrophobicContact CB-CD1 4.1Å; E1314-L2215 HydrophobicContact CG-CD1 4.43Å; E1314-L2215 HydrophobicContact CG-CD2 4.45Å; V1317-L2215 HydrophobicContact CB-CD1 4.37Å; V1317-L2215 HydrophobicContact CG1-CD1 4.42Å; G2211-L2215 PolarHBondContact O-N 3.24Å; L2215-E2218 PolarHBondContact O-N 3.08Å; L2215-N2219 WeakPolarHBondContact O-CB 3.34Å; L2215-N2219 PolarHBondContact O-N 3.41Å; L2215-N2219 PolarHBondContact O-ND2 3.38Å |
| 2216 | T | 88.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 174.8 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | L2022 R2124 A2127 N2212 F2213 R2214 E2218 N2219 V2220 | L2022-T2216 HydrophobicContact CD1-CG2 3.83Å; L2022-T2216 HydrophobicContact CD2-CG2 3.63Å; L2022-T2216 HydrophobicContact CG-CG2 4.39Å; R2124-T2216 HydrophobicContact CB-CG2 4.44Å; R2124-T2216 HydrophobicContact CG-CG2 4.49Å; A2127-T2216 HydrophobicContact CB-CG2 3.71Å; N2212-T2216 WeakPolarHBondContact O-CB 3.46Å; N2212-T2216 PolarHBondContact O-N 3.22Å; N2212-T2216 PolarHBondContact O-OG1 3.41Å; F2213-T2216 PolarHBondContact O-N 3.01Å; R2214-T2216 VanDerWaalsContact C-N 3.26Å; R2214-T2216 PolarHBondContact O-N 3Å; T2216-E2218 PolarHBondContact O-N 3.16Å; T2216-N2219 PolarHBondContact O-N 2.86Å; T2216-V2220 HydrophobicContact CG2-CG2 4.16Å; T2216-V2220 WeakPolarHBondContact O-CB 3.44Å; T2216-V2220 VanDerWaalsContact O-CG2 3.23Å; T2216-V2220 WeakPolarHBondContact O-CG2 3.4Å; T2216-V2220 PolarHBondContact O-N 2.92Å |
| 2217 | C | 91.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.3 | -46.4 | 175.5 | -69.6 | 0 | 0 | 0 | 0 | 111.8 | M2131 F2213 R2214 V2220 L2221 V2311 | M2131-C2217 HydrophobicContact CE-CB 4.16Å; M2131-C2217 HydrophobicContact CG-CB 3.74Å; M2131-C2217 HydrophobicContact SD-CB 3.72Å; F2213-C2217 VanDerWaalsContact CE1-SG 3.55Å; F2213-C2217 PolarHBondContact O-N 2.95Å; F2213-C2217 PolarHBondContact O-SG 3.37Å; R2214-C2217 WeakPolarHBondContact O-CA 3.3Å; R2214-C2217 WeakPolarHBondContact O-CB 3.25Å; R2214-C2217 PolarHBondContact O-N 3.27Å; C2217-V2220 PolarHBondContact O-N 3.21Å; C2217-L2221 WeakPolarHBondContact O-CB 3.38Å; C2217-L2221 PolarHBondContact O-N 2.99Å; C2217-V2311 HydrophobicContact CB-CG1 3.75Å; C2217-V2311 HydrophobicContact CB-CG2 4.13Å |
| 2218 | E | 90.2 | Very high | 84.6 | Confident | 48 Ų | 48 | 25.9 Ų | 25.9 | 22% | 0.224 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 177.7 | -69.8 | 171.8 | -179.9 | 0 | 0 | 111.9 | R2214 L2215 T2216 L2221 S2222 V2307 V2311 | R2214-E2218 HydrophobicContact CG-CG 4.5Å; R2214-E2218 WeakPolarHBondContact CG-OE1 3.31Å; R2214-E2218 WeakPolarHBondContact O-CG 3.39Å; R2214-E2218 PolarHBondContact O-N 3.04Å; L2215-E2218 PolarHBondContact O-N 3.08Å; T2216-E2218 PolarHBondContact O-N 3.16Å; E2218-L2221 PolarHBondContact O-N 3.41Å; E2218-S2222 WeakPolarHBondContact O-CB 3.32Å; E2218-S2222 PolarHBondContact O-N 3.25Å; E2218-V2307 HydrophobicContact CB-CG1 4.11Å; E2218-V2307 HydrophobicContact CG-CG1 4.38Å; E2218-V2307 WeakPolarHBondContact O-CG1 3.48Å; E2218-V2311 HydrophobicContact CG-CB 4.47Å; E2218-V2311 HydrophobicContact CG-CG2 4.24Å |
| 2219 | N | 88.6 | Confident | 84.8 | Confident | 32 Ų | 32 | 28.4 Ų | 28.4 | 17% | 0.171 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 179.4 | -75.7 | -64.1 | 0 | 0 | 0 | 111.9 | T2017 R2020 L2215 T2216 S2222 V2223 | T2017-N2219 HydrophobicContact CG2-CB 4.25Å; R2020-N2219 PolarHBondContact NH1-ND2 2.76Å; L2215-N2219 WeakPolarHBondContact O-CB 3.34Å; L2215-N2219 PolarHBondContact O-N 3.41Å; L2215-N2219 PolarHBondContact O-ND2 3.38Å; T2216-N2219 PolarHBondContact O-N 2.86Å; N2219-S2222 PolarHBondContact O-N 3.03Å; N2219-V2223 WeakPolarHBondContact O-CG2 3.37Å; N2219-V2223 PolarHBondContact O-N 3.42Å; N2219-V2223 VanDerWaalsContact O-N 3.11Å |
| 2220 | V | 90.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64 | -48.8 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 110 | L2011 L2022 T2128 M2131 V2132 T2216 C2217 S2222 V2223 L2224 | L2011-V2220 HydrophobicContact CD2-CG2 4.16Å; L2022-V2220 HydrophobicContact CD1-CG2 3.95Å; T2128-V2220 HydrophobicContact CG2-CG1 4.43Å; T2128-V2220 HydrophobicContact CG2-CG2 4.13Å; M2131-V2220 HydrophobicContact CB-CG1 3.94Å; M2131-V2220 HydrophobicContact CG-CG1 4.5Å; V2132-V2220 HydrophobicContact CG2-CG1 4.41Å; T2216-V2220 HydrophobicContact CG2-CG2 4.16Å; T2216-V2220 WeakPolarHBondContact O-CB 3.44Å; T2216-V2220 VanDerWaalsContact O-CG2 3.23Å; T2216-V2220 WeakPolarHBondContact O-CG2 3.4Å; T2216-V2220 PolarHBondContact O-N 2.92Å; C2217-V2220 PolarHBondContact O-N 3.21Å; V2220-S2222 VanDerWaalsContact C-N 3.31Å; V2220-S2222 PolarHBondContact O-N 3.25Å; V2220-V2223 PolarHBondContact O-N 2.98Å; V2220-L2224 HydrophobicContact CG1-CD1 3.69Å; V2220-L2224 HydrophobicContact CG1-CG 4.28Å; V2220-L2224 VanDerWaalsContact O-CG 3.22Å; V2220-L2224 WeakPolarHBondContact O-CG 3.11Å; V2220-L2224 PolarHBondContact O-N 3.05Å |
| 2221 | L | 90.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.9 | -37.4 | -179.6 | -170.6 | 61.1 | 0 | 0 | 0 | 111.7 | I2135 C2217 E2218 L2224 R2225 V2307 Q2310 V2311 | I2135-L2221 HydrophobicContact CD1-CD1 4.06Å; C2217-L2221 WeakPolarHBondContact O-CB 3.38Å; C2217-L2221 PolarHBondContact O-N 2.99Å; E2218-L2221 PolarHBondContact O-N 3.41Å; L2221-L2224 PolarHBondContact O-N 3.41Å; L2221-R2225 VanDerWaalsContact O-CG 3.32Å; L2221-R2225 WeakPolarHBondContact O-CG 3.32Å; L2221-R2225 PolarHBondContact O-N 3.27Å; L2221-V2307 HydrophobicContact CB-CG1 4.13Å; L2221-V2307 HydrophobicContact CD2-CG1 4.21Å; L2221-V2307 HydrophobicContact CG-CG1 4.36Å; L2221-Q2310 HydrophobicContact CD2-CB 4.44Å; L2221-Q2310 HydrophobicContact CD2-CG 4.4Å; L2221-V2311 HydrophobicContact CD2-CG2 3.84Å |
| 2222 | S | 89.7 | Confident | 84.6 | Confident | 52 Ų | 52 | 28 Ų | 28 | 36% | 0.364 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -59.3 | -47.9 | 173.7 | -173.7 | 0 | 0 | 0 | 0 | 112 | E2218 N2219 V2220 L2224 R2225 E2226 | E2218-S2222 WeakPolarHBondContact O-CB 3.32Å; E2218-S2222 PolarHBondContact O-N 3.25Å; N2219-S2222 PolarHBondContact O-N 3.03Å; V2220-S2222 VanDerWaalsContact C-N 3.31Å; V2220-S2222 PolarHBondContact O-N 3.25Å; S2222-L2224 VanDerWaalsContact C-N 3.32Å; S2222-L2224 PolarHBondContact O-N 3Å; S2222-R2225 PolarHBondContact O-N 2.94Å; S2222-E2226 PolarHBondContact O-N 3.43Å |
| 2223 | V | 87.6 | Confident | 83.9 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.9 | -38.9 | 176.7 | 173 | 0 | 0 | 0 | 0 | 111.8 | M2010 L2011 N2014 T2017 N2219 V2220 N2227 | M2010-V2223 HydrophobicContact CB-CG1 3.99Å; L2011-V2223 HydrophobicContact CD2-CB 4.34Å; L2011-V2223 HydrophobicContact CD2-CG1 4.2Å; N2014-V2223 HydrophobicContact CB-CG2 4.1Å; N2014-V2223 WeakPolarHBondContact ND2-CG2 3.49Å; T2017-V2223 HydrophobicContact CG2-CG2 4.06Å; N2219-V2223 WeakPolarHBondContact O-CG2 3.37Å; N2219-V2223 PolarHBondContact O-N 3.42Å; N2219-V2223 VanDerWaalsContact O-N 3.11Å; V2220-V2223 PolarHBondContact O-N 2.98Å; V2223-N2227 PolarHBondContact O-N 3.03Å; V2223-N2227 PolarHBondContact O-ND2 3.14Å |
| 2224 | L | 87.6 | Confident | 83.1 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.4 | -38.4 | 177.5 | -63.7 | 170.4 | 0 | 0 | 0 | 111.4 | I2007 V2132 I2135 V2220 L2221 S2222 N2227 R2228 I2231 L2292 | I2007-L2224 HydrophobicContact CD1-CD2 4.21Å; I2007-L2224 HydrophobicContact CG1-CD2 3.99Å; I2007-L2224 HydrophobicContact CG2-CD2 4.07Å; V2132-L2224 HydrophobicContact CG2-CD1 4.06Å; I2135-L2224 HydrophobicContact CD1-CB 4.03Å; I2135-L2224 HydrophobicContact CD1-CD1 3.68Å; I2135-L2224 HydrophobicContact CD1-CG 4.42Å; V2220-L2224 HydrophobicContact CG1-CD1 3.69Å; V2220-L2224 HydrophobicContact CG1-CG 4.28Å; V2220-L2224 VanDerWaalsContact O-CG 3.22Å; V2220-L2224 WeakPolarHBondContact O-CG 3.11Å; V2220-L2224 PolarHBondContact O-N 3.05Å; L2221-L2224 PolarHBondContact O-N 3.41Å; S2222-L2224 VanDerWaalsContact C-N 3.32Å; S2222-L2224 PolarHBondContact O-N 3Å; L2224-N2227 CarbonylContact O-C 3.58Å; L2224-N2227 PolarHBondContact O-N 3.4Å; L2224-R2228 WeakPolarHBondContact O-CA 3.26Å; L2224-R2228 PolarHBondContact O-N 3.49Å; L2224-I2231 HydrophobicContact CB-CD1 3.97Å; L2224-I2231 HydrophobicContact CD2-CD1 3.5Å; L2224-I2231 VanDerWaalsContact CD2-CD1 3.5Å; L2224-I2231 HydrophobicContact CG-CD1 4.33Å; L2224-L2292 HydrophobicContact CB-CD2 4.19Å |
| 2225 | R | 86.2 | Confident | 82.4 | Confident | 48 Ų | 48 | 27.6 Ų | 27.6 | 18% | 0.181 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.1 | -41.8 | 175.3 | -69.3 | -176.9 | 103.5 | 172.6 | -0.9 | 111.9 | L2221 S2222 N2227 R2228 L2292 T2293 G2294 L2305 | L2221-R2225 VanDerWaalsContact O-CG 3.32Å; L2221-R2225 WeakPolarHBondContact O-CG 3.32Å; L2221-R2225 PolarHBondContact O-N 3.27Å; S2222-R2225 PolarHBondContact O-N 2.94Å; R2225-N2227 PolarHBondContact O-N 3.11Å; R2225-R2228 PolarHBondContact O-N 2.85Å; R2225-L2292 VanDerWaalsContact CG-O 3.29Å; R2225-L2292 WeakPolarHBondContact CG-O 3.46Å; R2225-L2292 PolarHBondContact NE-O 3.46Å; R2225-T2293 PolarHBondContact NH2-O 3.42Å; R2225-G2294 VanDerWaalsContact NH2-CA 3.33Å; R2225-L2305 PolarHBondContact NH1-O 2.89Å; R2225-L2305 PolarHBondContact NH2-O 3.12Å |
| 2226 | E | 79.7 | Confident | 81.5 | Confident | 141 Ų | 141 | 27.7 Ų | 27.7 | 66% | 0.659 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -57.3 | -36.7 | 174.2 | -84.1 | -171.9 | 150.9 | 0 | 0 | 111.8 | S2222 | S2222-E2226 PolarHBondContact O-N 3.43Å |
| 2227 | N | 79.6 | Confident | 80.2 | Confident | 31 Ų | 31 | 28.3 Ų | 28.3 | 17% | 0.166 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 21.9 | -175.7 | -68.2 | -74.7 | 0 | 0 | 0 | 114.3 | Q1744 M2010 V2223 L2224 R2225 E2229 S2230 I2231 | Q1744-N2227 PolarHBondContact NE2-OD1 2.95Å; M2010-N2227 HydrophobicContact CE-CB 3.71Å; M2010-N2227 HydrophobicContact CG-CB 4.37Å; M2010-N2227 HydrophobicContact SD-CB 3.58Å; M2010-N2227 VanDerWaalsContact SD-CB 3.58Å; V2223-N2227 PolarHBondContact O-N 3.03Å; V2223-N2227 PolarHBondContact O-ND2 3.14Å; L2224-N2227 CarbonylContact O-C 3.58Å; L2224-N2227 PolarHBondContact O-N 3.4Å; R2225-N2227 PolarHBondContact O-N 3.11Å; N2227-E2229 VanDerWaalsContact C-N 3.29Å; N2227-E2229 PolarHBondContact O-N 2.96Å; N2227-E2229 VanDerWaalsContact O-N 3.16Å; N2227-S2230 PolarHBondContact O-N 3.39Å; N2227-S2230 VanDerWaalsContact O-N 3.08Å; N2227-I2231 PolarHBondContact O-N 2.84Å |
| 2228 | R | 80.8 | Confident | 78.9 | Confident | 94 Ų | 94 | 29.1 Ų | 29.1 | 36% | 0.355 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -53.3 | -41 | -171.4 | 69.9 | -176.4 | -172.9 | -147.9 | -1.8 | 114.2 | L2224 R2225 S2230 I2231 V2232 L2292 | L2224-R2228 WeakPolarHBondContact O-CA 3.26Å; L2224-R2228 PolarHBondContact O-N 3.49Å; R2225-R2228 PolarHBondContact O-N 2.85Å; R2228-S2230 VanDerWaalsContact C-N 3.27Å; R2228-S2230 PolarHBondContact O-N 3.44Å; R2228-I2231 PolarHBondContact O-N 3.17Å; R2228-V2232 WeakPolarHBondContact O-CB 3.43Å; R2228-V2232 VanDerWaalsContact O-CG2 3.3Å; R2228-V2232 WeakPolarHBondContact O-CG2 3.4Å; R2228-V2232 PolarHBondContact O-N 3.49Å; R2228-L2292 HydrophobicContact CB-CB 4.02Å; R2228-L2292 HydrophobicContact CB-CD1 4.06Å; R2228-L2292 HydrophobicContact CB-CD2 4.2Å; R2228-L2292 HydrophobicContact CB-CG 4.34Å |
| 2229 | E | 70.9 | Confident | 77.7 | Confident | 54 Ų | 54 | 27 Ų | 27 | 25% | 0.252 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.6 | -36.4 | -176.5 | -58.2 | -53.6 | 144.2 | 0 | 0 | 111.7 | N2227 A2233 | N2227-E2229 VanDerWaalsContact C-N 3.29Å; N2227-E2229 PolarHBondContact O-N 2.96Å; N2227-E2229 VanDerWaalsContact O-N 3.16Å; E2229-A2233 VanDerWaalsContact O-CB 3.27Å; E2229-A2233 WeakPolarHBondContact O-CB 3.46Å; E2229-A2233 PolarHBondContact O-N 3.4Å |
| 2230 | S | 74.5 | Confident | 76.5 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73.4 | -34 | -179.7 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | Q1744 R1748 N2227 R2228 V2234 | Q1744-S2230 WeakPolarHBondContact CG-OG 3.47Å; Q1744-S2230 PolarHBondContact NE2-OG 3.06Å; R1748-S2230 PolarHBondContact NE-OG 3.14Å; R1748-S2230 PolarHBondContact NH2-OG 3.17Å; N2227-S2230 PolarHBondContact O-N 3.39Å; N2227-S2230 VanDerWaalsContact O-N 3.08Å; R2228-S2230 VanDerWaalsContact C-N 3.27Å; R2228-S2230 PolarHBondContact O-N 3.44Å; S2230-V2234 PolarHBondContact O-N 2.89Å |
| 2231 | I | 79.1 | Confident | 75.3 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.7 | -47.3 | 174.8 | -64.9 | 164.9 | 0 | 0 | 0 | 110 | L2003 M2010 L2224 N2227 R2228 A2233 V2234 L2235 L2292 | L2003-I2231 HydrophobicContact CD1-CG2 4.35Å; M2010-I2231 HydrophobicContact CE-CG1 4.23Å; M2010-I2231 HydrophobicContact SD-CD1 4.36Å; M2010-I2231 HydrophobicContact SD-CG1 4.2Å; L2224-I2231 HydrophobicContact CB-CD1 3.97Å; L2224-I2231 HydrophobicContact CD2-CD1 3.5Å; L2224-I2231 VanDerWaalsContact CD2-CD1 3.5Å; L2224-I2231 HydrophobicContact CG-CD1 4.33Å; N2227-I2231 PolarHBondContact O-N 2.84Å; R2228-I2231 PolarHBondContact O-N 3.17Å; I2231-A2233 VanDerWaalsContact C-N 3.32Å; I2231-A2233 PolarHBondContact O-N 3.14Å; I2231-V2234 PolarHBondContact O-N 3.13Å; I2231-L2235 HydrophobicContact CG2-CD1 3.64Å; I2231-L2235 WeakPolarHBondContact O-CG 3.5Å; I2231-L2235 PolarHBondContact O-N 3.46Å; I2231-L2292 HydrophobicContact CB-CD1 4.47Å; I2231-L2292 HydrophobicContact CD1-CD2 4.35Å; I2231-L2292 HydrophobicContact CG2-CD1 4.21Å |
| 2232 | V | 75.2 | Confident | 73.7 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.024 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.9 | -40.9 | 177 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | R2228 V2234 L2235 E2236 V2285 L2292 | R2228-V2232 WeakPolarHBondContact O-CB 3.43Å; R2228-V2232 VanDerWaalsContact O-CG2 3.3Å; R2228-V2232 WeakPolarHBondContact O-CG2 3.4Å; R2228-V2232 PolarHBondContact O-N 3.49Å; V2232-V2234 PolarHBondContact O-N 3.4Å; V2232-L2235 CarbonylContact O-C 3.5Å; V2232-L2235 PolarHBondContact O-N 2.87Å; V2232-E2236 HydrophobicContact CG1-CG 4.01Å; V2232-E2236 WeakPolarHBondContact O-CB 3.44Å; V2232-E2236 WeakPolarHBondContact O-CG 2.99Å; V2232-E2236 PolarHBondContact O-N 3.48Å; V2232-V2285 HydrophobicContact CG1-CG1 4.15Å; V2232-L2292 HydrophobicContact CG2-CD1 3.78Å |
| 2233 | A | 68.7 | Low | 72.2 | Confident | 13 Ų | 13 | 33.8 Ų | 33.8 | 11% | 0.107 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E2229 I2231 A2237 | E2229-A2233 VanDerWaalsContact O-CB 3.27Å; E2229-A2233 WeakPolarHBondContact O-CB 3.46Å; E2229-A2233 PolarHBondContact O-N 3.4Å; I2231-A2233 VanDerWaalsContact C-N 3.32Å; I2231-A2233 PolarHBondContact O-N 3.14Å; A2233-A2237 PolarHBondContact O-N 2.9Å |
| 2234 | V | 72.7 | Confident | 71 | Confident | 10 Ų | 10 | 34.5 Ų | 34.5 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.3 | -43.4 | 174.4 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | L1747 L2003 L2006 S2230 I2231 V2232 A2237 F2238 | L1747-V2234 HydrophobicContact CD1-CG2 3.28Å; L1747-V2234 HydrophobicContact CD2-CG2 4.05Å; L1747-V2234 HydrophobicContact CG-CG2 4.25Å; L2003-V2234 HydrophobicContact CD1-CB 4.5Å; L2003-V2234 HydrophobicContact CD1-CG1 4.27Å; L2006-V2234 HydrophobicContact CD2-CG2 3.63Å; S2230-V2234 PolarHBondContact O-N 2.89Å; I2231-V2234 PolarHBondContact O-N 3.13Å; V2232-V2234 PolarHBondContact O-N 3.4Å; V2234-A2237 PolarHBondContact O-N 3.12Å; V2234-F2238 PolarHBondContact O-N 3.04Å; V2234-F2238 VanDerWaalsContact O-N 3.15Å |
| 2235 | L | 72.4 | Confident | 69.5 | Low | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72.4 | -34.4 | -177.3 | -70.7 | 167.3 | 0 | 0 | 0 | 112.3 | L2003 L2136 F2164 I2231 V2232 F2238 V2239 I2288 | L2003-L2235 HydrophobicContact CD2-CD2 4.02Å; L2136-L2235 HydrophobicContact CD1-CD2 3.88Å; F2164-L2235 HydrophobicContact CE1-CD2 4.33Å; F2164-L2235 HydrophobicContact CZ-CD2 4.37Å; I2231-L2235 HydrophobicContact CG2-CD1 3.64Å; I2231-L2235 WeakPolarHBondContact O-CG 3.5Å; I2231-L2235 PolarHBondContact O-N 3.46Å; V2232-L2235 CarbonylContact O-C 3.5Å; V2232-L2235 PolarHBondContact O-N 2.87Å; L2235-F2238 VanDerWaalsContact O-CB 3.32Å; L2235-F2238 WeakPolarHBondContact O-CB 3.37Å; L2235-F2238 PolarHBondContact O-N 3.37Å; L2235-F2238 VanDerWaalsContact O-N 3.14Å; L2235-V2239 WeakPolarHBondContact O-CB 3.46Å; L2235-V2239 VanDerWaalsContact O-CG2 3.26Å; L2235-V2239 WeakPolarHBondContact O-CG2 3.45Å; L2235-V2239 PolarHBondContact O-N 2.86Å; L2235-I2288 HydrophobicContact CB-CD1 4.47Å; L2235-I2288 HydrophobicContact CD1-CD1 4.16Å; L2235-I2288 HydrophobicContact CD1-CG2 3.86Å |
| 2236 | E | 67.6 | Low | 68.2 | Low | 39 Ų | 39 | 38 Ų | 38 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 171.2 | -82.9 | -179.9 | 179.8 | 0 | 0 | 110.3 | V2232 F2238 V2239 Y2240 V2285 R2289 | V2232-E2236 HydrophobicContact CG1-CG 4.01Å; V2232-E2236 WeakPolarHBondContact O-CB 3.44Å; V2232-E2236 WeakPolarHBondContact O-CG 2.99Å; V2232-E2236 PolarHBondContact O-N 3.48Å; E2236-F2238 PolarHBondContact O-N 3.19Å; E2236-V2239 PolarHBondContact O-N 2.97Å; E2236-Y2240 HydrophobicContact CB-CD2 4.28Å; E2236-Y2240 HydrophobicContact CB-CE2 4.28Å; E2236-Y2240 HydrophobicContact CG-CE2 4.31Å; E2236-Y2240 WeakPolarHBondContact O-CD2 3.45Å; E2236-Y2240 PolarHBondContact O-N 3.2Å; E2236-V2285 HydrophobicContact CG-CB 4.43Å; E2236-V2285 HydrophobicContact CG-CG1 3.65Å; E2236-V2285 HydrophobicContact CG-CG2 3.84Å; E2236-R2289 IonicContact OE1-NH2 2.7Å; E2236-R2289 PolarHBondContact OE1-NH2 3.28Å |
| 2237 | A | 61.4 | Low | 67 | Low | 14 Ų | 14 | 35.2 Ų | 35.2 | 12% | 0.116 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.3 | -33.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1784 A2233 V2234 | Q1784-A2237 HydrophobicContact CG-CB 4.25Å; A2233-A2237 PolarHBondContact O-N 2.9Å; V2234-A2237 PolarHBondContact O-N 3.12Å |
| 2238 | F | 64.1 | Low | 65.9 | Low | 17 Ų | 17 | 35.4 Ų | 35.4 | 8% | 0.075 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.6 | -43.7 | 177.4 | -179.3 | -112.1 | 0 | 0 | 0 | 113.8 | Q1996 R1999 F2164 V2234 L2235 E2236 D2241 L2244 | Q1996-F2238 HydrophobicContact CG-CZ 4.12Å; R1999-F2238 HydrophobicContact CB-CD2 3.46Å; R1999-F2238 VanDerWaalsContact CB-CD2 3.46Å; R1999-F2238 HydrophobicContact CB-CE2 3.49Å; R1999-F2238 VanDerWaalsContact CB-CE2 3.49Å; R1999-F2238 HydrophobicContact CB-CG 4.49Å; R1999-F2238 HydrophobicContact CG-CD2 3.61Å; R1999-F2238 HydrophobicContact CG-CE2 3.74Å; F2164-F2238 HydrophobicContact CD2-CE1 4.37Å; F2164-F2238 AromaticContact CE2-CD1 3.47Å; F2164-F2238 HydrophobicContact CE2-CD1 3.47Å; F2164-F2238 VanDerWaalsContact CE2-CD1 3.47Å; F2164-F2238 AromaticContact CE2-CE1 3.12Å; F2164-F2238 HydrophobicContact CE2-CE1 3.12Å; F2164-F2238 HydrophobicContact CE2-CZ 4.3Å; F2164-F2238 AromaticContact CZ-CD1 3.27Å; F2164-F2238 HydrophobicContact CZ-CD1 3.27Å; F2164-F2238 AromaticContact CZ-CE1 3.2Å; F2164-F2238 HydrophobicContact CZ-CE1 3.2Å; V2234-F2238 PolarHBondContact O-N 3.04Å; V2234-F2238 VanDerWaalsContact O-N 3.15Å; L2235-F2238 VanDerWaalsContact O-CB 3.32Å; L2235-F2238 WeakPolarHBondContact O-CB 3.37Å; L2235-F2238 PolarHBondContact O-N 3.37Å; L2235-F2238 VanDerWaalsContact O-N 3.14Å; E2236-F2238 PolarHBondContact O-N 3.19Å; F2238-D2241 PolarHBondContact O-N 3.33Å; F2238-L2244 HydrophobicContact CD2-CD1 4.06Å; F2238-L2244 HydrophobicContact CE2-CD1 3.8Å; F2238-L2244 HydrophobicContact CE2-CD2 4.31Å |
| 2239 | V | 64.8 | Low | 64.5 | Low | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -76.2 | -27.2 | -176 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | F2164 L2235 E2236 D2241 N2245 A2281 I2284 V2285 | F2164-V2239 HydrophobicContact CE2-CG2 4.06Å; F2164-V2239 HydrophobicContact CZ-CG2 3.98Å; L2235-V2239 WeakPolarHBondContact O-CB 3.46Å; L2235-V2239 VanDerWaalsContact O-CG2 3.26Å; L2235-V2239 WeakPolarHBondContact O-CG2 3.45Å; L2235-V2239 PolarHBondContact O-N 2.86Å; E2236-V2239 PolarHBondContact O-N 2.97Å; V2239-D2241 VanDerWaalsContact C-N 3.32Å; V2239-N2245 PolarHBondContact O-ND2 3.16Å; V2239-N2245 PolarHBondContact O-OD1 2.94Å; V2239-N2245 VanDerWaalsContact O-OD1 3.11Å; V2239-A2281 HydrophobicContact CG1-CB 3.41Å; V2239-A2281 VanDerWaalsContact CG1-CB 3.41Å; V2239-A2281 WeakPolarHBondContact CG1-O 3.44Å; V2239-I2284 HydrophobicContact CG2-CG2 4.06Å; V2239-V2285 HydrophobicContact CB-CG2 4.23Å; V2239-V2285 HydrophobicContact CG1-CG2 4.21Å; V2239-V2285 HydrophobicContact CG2-CG2 4.39Å |
| 2240 | Y | 63.3 | Low | 63.7 | Low | 72 Ų | 72 | 36.6 Ų | 36.6 | 28% | 0.282 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 4.1 | 174.9 | -70 | -65.6 | 0 | 0 | 0 | 114.2 | E2236 P2242 A2281 L2282 | E2236-Y2240 HydrophobicContact CB-CD2 4.28Å; E2236-Y2240 HydrophobicContact CB-CE2 4.28Å; E2236-Y2240 HydrophobicContact CG-CE2 4.31Å; E2236-Y2240 WeakPolarHBondContact O-CD2 3.45Å; E2236-Y2240 PolarHBondContact O-N 3.2Å; Y2240-P2242 VanDerWaalsContact O-CD 3.31Å; Y2240-P2242 WeakPolarHBondContact O-CD 3.39Å; Y2240-A2281 HydrophobicContact CD1-CB 4.28Å; Y2240-A2281 HydrophobicContact CE1-CB 4.06Å; Y2240-L2282 WeakPolarHBondContact OH-CD2 3.28Å; Y2240-L2282 WeakPolarHBondContact OH-CG 3.18Å |
| 2241 | D | 64.7 | Low | 62.5 | Low | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | trans | -74.7 | 114.4 | 175.7 | -170 | -28.3 | 0 | 0 | 0 | 110.6 | A1787 F2238 V2239 L2243 L2244 N2245 | A1787-D2241 HydrophobicContact CB-CB 4.28Å; A1787-D2241 WeakPolarHBondContact CB-OD2 3.12Å; F2238-D2241 PolarHBondContact O-N 3.33Å; V2239-D2241 VanDerWaalsContact C-N 3.32Å; D2241-L2243 PolarHBondContact O-N 2.91Å; D2241-L2243 WeakPolarHBondContact OD1-CB 3.3Å; D2241-L2243 PolarHBondContact OD1-N 3.24Å; D2241-L2244 HydrophobicContact CB-CB 4.49Å; D2241-L2244 HydrophobicContact CB-CD1 4.01Å; D2241-L2244 PolarHBondContact O-N 3.11Å; D2241-N2245 PolarHBondContact O-N 3.18Å; D2241-N2245 PolarHBondContact O-ND2 2.79Å; D2241-N2245 VanDerWaalsContact O-ND2 3.16Å | ||
| 2242 | P | 57.6 | Low | 60.7 | Low | 80 Ų | 80 | 43.6 Ų | 43.6 | 52% | 0.519 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -20.8 | -176.5 | 25.4 | -32.4 | 0 | 0 | 0 | 113.5 | Y2240 | Y2240-P2242 VanDerWaalsContact O-CD 3.31Å; Y2240-P2242 WeakPolarHBondContact O-CD 3.39Å |
| 2243 | L | 57.7 | Low | 59.1 | Low | 70 Ų | 70 | 47 Ų | 47 | 37% | 0.366 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -17.3 | -176.5 | -64 | 169.6 | 0 | 0 | 0 | 113.7 | R1995 D2241 W2246 | R1995-L2243 VanDerWaalsContact NH1-CD1 3.33Å; D2241-L2243 PolarHBondContact O-N 2.91Å; D2241-L2243 WeakPolarHBondContact OD1-CB 3.3Å; D2241-L2243 PolarHBondContact OD1-N 3.24Å; L2243-W2246 VanDerWaalsContact O-CD1 3.25Å; L2243-W2246 PolarHBondContact O-NE1 2.97Å |
| 2244 | L | 62.1 | Low | 57.6 | Low | 18 Ų | 18 | 51.9 Ų | 51.9 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -25.9 | 176.7 | -81.7 | 149.1 | 0 | 0 | 0 | 112.4 | R1995 Q1996 F2238 D2241 W2246 | R1995-L2244 HydrophobicContact CB-CD2 4.44Å; Q1996-L2244 HydrophobicContact CB-CD2 3.78Å; F2238-L2244 HydrophobicContact CD2-CD1 4.06Å; F2238-L2244 HydrophobicContact CE2-CD1 3.8Å; F2238-L2244 HydrophobicContact CE2-CD2 4.31Å; D2241-L2244 HydrophobicContact CB-CB 4.49Å; D2241-L2244 HydrophobicContact CB-CD1 4.01Å; D2241-L2244 PolarHBondContact O-N 3.11Å; L2244-W2246 VanDerWaalsContact C-N 3.33Å; L2244-W2246 PolarHBondContact O-N 3.48Å |
| 2245 | N | 56.1 | Low | 55.8 | Low | 13 Ų | 13 | 57.5 Ų | 57.5 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -16.3 | -168.7 | -86.7 | -30.6 | 0 | 0 | 0 | 116.5 | V2239 D2241 R2247 L2248 V2277 | V2239-N2245 PolarHBondContact O-ND2 3.16Å; V2239-N2245 PolarHBondContact O-OD1 2.94Å; V2239-N2245 VanDerWaalsContact O-OD1 3.11Å; D2241-N2245 PolarHBondContact O-N 3.18Å; D2241-N2245 PolarHBondContact O-ND2 2.79Å; D2241-N2245 VanDerWaalsContact O-ND2 3.16Å; N2245-R2247 VanDerWaalsContact C-N 3.28Å; N2245-R2247 PolarHBondContact O-N 3.47Å; N2245-L2248 WeakPolarHBondContact O-CB 3.49Å; N2245-L2248 PolarHBondContact O-N 3.26Å; N2245-L2248 VanDerWaalsContact O-N 3.12Å; N2245-L2248 WeakPolarHBondContact OD1-CD1 3.49Å; N2245-V2277 HydrophobicContact CB-CG1 3.7Å; N2245-V2277 WeakPolarHBondContact ND2-CG1 3.3Å |
| 2246 | W | 59.2 | Low | 54.1 | Low | 112 Ų | 112 | 61.2 Ų | 61.2 | 42% | 0.424 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64 | -30.5 | -176.5 | 65.5 | -89.6 | 0 | 0 | 0 | 113.3 | L2243 L2244 L2248 L2249 E2250 | L2243-W2246 VanDerWaalsContact O-CD1 3.25Å; L2243-W2246 PolarHBondContact O-NE1 2.97Å; L2244-W2246 VanDerWaalsContact C-N 3.33Å; L2244-W2246 PolarHBondContact O-N 3.48Å; W2246-L2248 VanDerWaalsContact C-N 3.26Å; W2246-L2248 PolarHBondContact O-N 3.39Å; W2246-L2249 WeakPolarHBondContact O-CB 3.45Å; W2246-L2249 PolarHBondContact O-N 3Å; W2246-L2249 VanDerWaalsContact O-N 3.09Å; W2246-E2250 HydrophobicContact CE3-CG 4.2Å; W2246-E2250 VanDerWaalsContact CZ3-CD 3.5Å; W2246-E2250 HydrophobicContact CZ3-CG 4.45Å; W2246-E2250 WeakPolarHBondContact CZ3-OE1 3.48Å; W2246-E2250 PolarHBondContact O-N 3.41Å |
| 2247 | R | 55.5 | Low | 52.6 | Low | 82 Ų | 82 | 66.5 Ų | 66.5 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.6 | -28.4 | 175.3 | -78.3 | -176.4 | 173.5 | 172.9 | -4 | 113.2 | N2245 L2249 | N2245-R2247 VanDerWaalsContact C-N 3.28Å; N2245-R2247 PolarHBondContact O-N 3.47Å; R2247-L2249 VanDerWaalsContact C-N 3.28Å; R2247-L2249 PolarHBondContact O-N 3.46Å |
| 2248 | L | 55.5 | Low | 51.3 | Low | 35 Ų | 35 | 70 Ų | 70 | 18% | 0.183 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -76.2 | -17 | 176.1 | -60.9 | 169 | 0 | 0 | 0 | 112.7 | V2166 N2245 W2246 K2280 I2284 | V2166-L2248 HydrophobicContact CG2-CD2 3.96Å; N2245-L2248 WeakPolarHBondContact O-CB 3.49Å; N2245-L2248 PolarHBondContact O-N 3.26Å; N2245-L2248 VanDerWaalsContact O-N 3.12Å; N2245-L2248 WeakPolarHBondContact OD1-CD1 3.49Å; W2246-L2248 VanDerWaalsContact C-N 3.26Å; W2246-L2248 PolarHBondContact O-N 3.39Å; L2248-K2280 PolarHBondContact O-NZ 2.92Å; L2248-I2284 HydrophobicContact CD1-CD1 3.76Å; L2248-I2284 HydrophobicContact CD2-CD1 4.13Å |
| 2249 | L | 52.5 | Low | 49.7 | Very low | 58 Ų | 58 | 76.1 Ų | 76.1 | 30% | 0.304 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -89.7 | -39.5 | 178 | -78.8 | 164.2 | 0 | 0 | 0 | 112.8 | W2246 R2247 H2251 C2252 S2253 V2276 V2277 | W2246-L2249 WeakPolarHBondContact O-CB 3.45Å; W2246-L2249 PolarHBondContact O-N 3Å; W2246-L2249 VanDerWaalsContact O-N 3.09Å; R2247-L2249 VanDerWaalsContact C-N 3.28Å; R2247-L2249 PolarHBondContact O-N 3.46Å; L2249-H2251 PolarHBondContact O-N 3.17Å; L2249-H2251 VanDerWaalsContact O-N 3.12Å; L2249-C2252 PolarHBondContact O-N 3.02Å; L2249-S2253 PolarHBondContact O-N 3.41Å; L2249-V2276 HydrophobicContact CD2-CG1 4.48Å; L2249-V2277 HydrophobicContact CD1-CG2 3.45Å; L2249-V2277 VanDerWaalsContact CD1-CG2 3.45Å; L2249-V2277 HydrophobicContact CD2-CG2 4.11Å; L2249-V2277 HydrophobicContact CG-CG2 3.96Å |
| 2250 | E | 53.3 | Low | 48.1 | Very low | 115 Ų | 115 | 85 Ų | 85 | 54% | 0.537 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -55.6 | -33.7 | -175.6 | -80 | -171.1 | 157.1 | 0 | 0 | 113.6 | W2246 C2252 | W2246-E2250 HydrophobicContact CE3-CG 4.2Å; W2246-E2250 VanDerWaalsContact CZ3-CD 3.5Å; W2246-E2250 HydrophobicContact CZ3-CG 4.45Å; W2246-E2250 WeakPolarHBondContact CZ3-OE1 3.48Å; W2246-E2250 PolarHBondContact O-N 3.41Å; E2250-C2252 VanDerWaalsContact C-N 3.31Å; E2250-C2252 PolarHBondContact O-N 3.39Å |
| 2251 | H | 49 | Very low | 46.5 | Very low | 99 Ų | 99 | 90.1 Ų | 90.1 | 46% | 0.458 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -8.4 | 178.5 | -77 | 17.9 | 0 | 0 | 0 | 114.4 | L2249 | L2249-H2251 PolarHBondContact O-N 3.17Å; L2249-H2251 VanDerWaalsContact O-N 3.12Å |
| 2252 | C | 40.7 | Very low | 44.8 | Very low | 52 Ų | 52 | 100 Ų | 100 | 35% | 0.351 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -21.1 | 177.4 | -88 | 0 | 0 | 0 | 0 | 114.9 | L2249 E2250 N2254 K2255 A2256 K2280 | L2249-C2252 PolarHBondContact O-N 3.02Å; E2250-C2252 VanDerWaalsContact C-N 3.31Å; E2250-C2252 PolarHBondContact O-N 3.39Å; C2252-N2254 PolarHBondContact O-N 3Å; C2252-N2254 VanDerWaalsContact O-N 3.08Å; C2252-K2255 PolarHBondContact O-N 2.95Å; C2252-A2256 PolarHBondContact O-N 2.97Å; C2252-K2280 PolarHBondContact SG-NZ 3.47Å |
| 2253 | S | 41.4 | Very low | 43.5 | Very low | 76 Ų | 76 | 101 Ų | 101 | 53% | 0.531 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.2 | 178.5 | -49.6 | 0 | 0 | 0 | 0 | 113 | L2249 | L2249-S2253 PolarHBondContact O-N 3.41Š|
| 2254 | N | 38.9 | Very low | 42.2 | Very low | 115 Ų | 115 | 106 Ų | 106 | 62% | 0.615 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -21.9 | 177.1 | -74.8 | -9.6 | 0 | 0 | 0 | 114.8 | C2252 | C2252-N2254 PolarHBondContact O-N 3Å; C2252-N2254 VanDerWaalsContact O-N 3.08Å |
| 2255 | K | 34.9 | Very low | 40.7 | Very low | 128 Ų | 128 | 109.9 Ų | 109.9 | 56% | 0.557 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -21.9 | 177 | -90.6 | -179.4 | 176.8 | 172.5 | 0 | 113.5 | C2252 L2257 S2258 | C2252-K2255 PolarHBondContact O-N 2.95Å; K2255-L2257 VanDerWaalsContact C-N 3.26Å; K2255-L2257 PolarHBondContact O-N 3.25Å; K2255-S2258 PolarHBondContact O-OG 3.15Å |
| 2256 | A | 35 | Very low | 39.6 | Very low | 84 Ų | 84 | 115 Ų | 115 | 69% | 0.694 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -15.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | C2252 | C2252-A2256 PolarHBondContact O-N 2.97Š|
| 2257 | L | 37 | Very low | 38.2 | Very low | 149 Ų | 149 | 119 Ų | 119 | 78% | 0.78 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -4.2 | -179.2 | -79.3 | 157.4 | 0 | 0 | 0 | 114.4 | K2255 | K2255-L2257 VanDerWaalsContact C-N 3.26Å; K2255-L2257 PolarHBondContact O-N 3.25Å |
| 2258 | S | 34 | Very low | 37 | Very low | 88 Ų | 88 | 123.6 Ų | 123.6 | 62% | 0.615 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -114 | -4.7 | -175.4 | 56.6 | 0 | 0 | 0 | 0 | 115.9 | K2255 | K2255-S2258 PolarHBondContact O-OG 3.15Š|
| 2259 | N | 31.5 | Very low | 35.9 | Very low | 145 Ų | 145 | 130.2 Ų | 130.2 | 78% | 0.775 | 70% | 0.695 | S | S | * | * | trans | -110.9 | 67.4 | 172 | -89.1 | -8.6 | 0 | 0 | 0 | 111.3 | Q2261 | N2259-Q2261 VanDerWaalsContact C-N 3.32Å; N2259-Q2261 PolarHBondContact O-N 2.98Å; N2259-Q2261 VanDerWaalsContact O-N 3.11Å | ||
| 2260 | E | 29.3 | Very low | 34.8 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 88% | 0.883 | 72% | 0.721 | S | S | * | * | trans | -73.6 | 88.8 | 156.9 | -78.8 | -171.9 | 164.1 | 0 | 0 | 109.1 | ||||
| 2261 | Q | 30.9 | Very low | 34 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 84% | 0.841 | 72% | 0.716 | S | S | * | * | trans | -115.3 | 95.3 | 155 | -78.9 | -169.9 | -11.3 | 0 | 0 | 109.3 | N2259 | N2259-Q2261 VanDerWaalsContact C-N 3.32Å; N2259-Q2261 PolarHBondContact O-N 2.98Å; N2259-Q2261 VanDerWaalsContact O-N 3.11Å | ||
| 2262 | K | 28.9 | Very low | 33.6 | Very low | 213 Ų | 213 | 132.8 Ų | 132.8 | 93% | 0.926 | 72% | 0.723 | S | S | * | * | trans | 21.9 | 106.3 | 150.7 | -67.2 | 179.6 | 176.8 | 179.5 | 0 | 117.1 | ||||
| 2263 | A | 30.6 | Very low | 33.9 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -148 | 111.1 | 142.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | S2265 | A2263-S2265 PolarHBondContact O-N 3.15Š| ||
| 2264 | D | 29.1 | Very low | 34.2 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 95% | 0.947 | 74% | 0.735 | S | S | * | * | trans | -72.6 | 109.9 | 170.9 | -78.4 | -45.2 | 0 | 0 | 0 | 110.2 | ||||
| 2265 | S | 32.6 | Very low | 34.8 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | trans | -168.4 | 125.3 | 147.9 | 59.4 | 0 | 0 | 0 | 0 | 110.7 | A2263 F2267 | A2263-S2265 PolarHBondContact O-N 3.15Å; S2265-F2267 PolarHBondContact O-N 2.91Å | ||
| 2266 | P | 32.7 | Very low | 35.8 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | -100.4 | 61 | -173.1 | 38.8 | -33.1 | 0 | 0 | 0 | 112 | ||||
| 2267 | F | 29.9 | Very low | 36.7 | Very low | 196 Ų | 196 | 130.5 Ų | 130.5 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -159.4 | 135.1 | 163.8 | -95 | -79.5 | 0 | 0 | 0 | 108.6 | S2265 | S2265-F2267 PolarHBondContact O-N 2.91Š|
| 2268 | E | 29 | Very low | 37.8 | Very low | 179 Ų | 179 | 126.3 Ų | 126.3 | 84% | 0.836 | 69% | 0.689 | S | S | * | * | trans | 78.3 | 94.1 | -178 | -57.4 | -176.4 | 162.6 | 0 | 0 | 116.9 | ||||
| 2269 | H | 32.1 | Very low | 39.4 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 81% | 0.81 | 70% | 0.695 | S | S | * | * | trans | -170.9 | 86.1 | 135.6 | -90.8 | -46.1 | 0 | 0 | 0 | 110.7 | V2271 | H2269-V2271 HydrophobicContact CB-CG2 4.38Å; H2269-V2271 WeakPolarHBondContact ND1-CG2 3.28Å | ||
| 2270 | C | 29.6 | Very low | 41 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 85% | 0.845 | 67% | 0.672 | S | S | * | * | trans | -94.6 | 76.9 | 146.2 | -73.3 | 0 | 0 | 0 | 0 | 106.9 | H2272 | C2270-H2272 PolarHBondContact O-N 2.65Å; C2270-H2272 VanDerWaalsContact O-N 3.11Å | ||
| 2271 | V | 36.1 | Very low | 42.8 | Very low | 70 Ų | 70 | 119 Ų | 119 | 42% | 0.424 | 63% | 0.631 | S | S | . | * | trans | -67.7 | 109.7 | 165.2 | -179.5 | 0 | 0 | 0 | 0 | 105.8 | H2269 V2276 | H2269-V2271 HydrophobicContact CB-CG2 4.38Å; H2269-V2271 WeakPolarHBondContact ND1-CG2 3.28Å; V2271-V2276 HydrophobicContact CG1-CG2 4.15Å | ||
| 2272 | H | 42.4 | Very low | 44.7 | Very low | 130 Ų | 130 | 114.9 Ų | 114.9 | 60% | 0.602 | 62% | 0.615 | S | S | * | * | trans | -57.4 | 134 | 178.6 | -94.8 | -83.4 | 0 | 0 | 0 | 109.3 | C2270 S2274 E2275 | C2270-H2272 PolarHBondContact O-N 2.65Å; C2270-H2272 VanDerWaalsContact O-N 3.11Å; H2272-S2274 PolarHBondContact O-N 2.83Å; H2272-E2275 PolarHBondContact O-N 3.01Å; H2272-E2275 VanDerWaalsContact O-N 3.07Å | ||
| 2273 | P | 45.2 | Very low | 46.9 | Very low | 94 Ų | 94 | 110 Ų | 110 | 61% | 0.61 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -56.5 | -16.7 | -178.4 | 17.2 | -28.8 | 0 | 0 | 0 | 114 | V2277 | P2273-V2277 VanDerWaalsContact O-CG2 3.25Å; P2273-V2277 WeakPolarHBondContact O-CG2 3.4Å; P2273-V2277 PolarHBondContact O-N 3.02Å |
| 2274 | S | 47.9 | Very low | 49.1 | Very low | 75 Ų | 75 | 106.4 Ų | 106.4 | 52% | 0.524 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.2 | -34.6 | 175 | 56.1 | 0 | 0 | 0 | 0 | 114.5 | H2272 S2278 | H2272-S2274 PolarHBondContact O-N 2.83Å; S2274-S2278 PolarHBondContact O-N 3.41Å; S2274-S2278 VanDerWaalsContact O-N 3.1Å; S2274-S2278 PolarHBondContact O-OG 2.85Å |
| 2275 | E | 51.9 | Low | 51.4 | Low | 133 Ų | 133 | 98.3 Ų | 98.3 | 62% | 0.621 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -74.6 | -38 | -176 | -76.4 | -174.1 | 158.2 | 0 | 0 | 112.6 | H2272 V2277 S2278 R2279 | H2272-E2275 PolarHBondContact O-N 3.01Å; H2272-E2275 VanDerWaalsContact O-N 3.07Å; E2275-V2277 VanDerWaalsContact C-N 3.3Å; E2275-V2277 PolarHBondContact O-N 3.27Å; E2275-S2278 PolarHBondContact O-N 2.98Å; E2275-R2279 PolarHBondContact O-N 3.38Å |
| 2276 | V | 55.8 | Low | 53.7 | Low | 76 Ų | 76 | 97.9 Ų | 97.9 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 176.1 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | L2249 V2271 K2280 | L2249-V2276 HydrophobicContact CD2-CG1 4.48Å; V2271-V2276 HydrophobicContact CG1-CG2 4.15Å; V2276-K2280 PolarHBondContact O-N 3.16Å |
| 2277 | V | 55.2 | Low | 56.1 | Low | 29 Ų | 29 | 96.6 Ų | 96.6 | 18% | 0.176 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -64 | -47.2 | 174.8 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | N2245 L2249 P2273 E2275 R2279 K2280 A2281 | N2245-V2277 HydrophobicContact CB-CG1 3.7Å; N2245-V2277 WeakPolarHBondContact ND2-CG1 3.3Å; L2249-V2277 HydrophobicContact CD1-CG2 3.45Å; L2249-V2277 VanDerWaalsContact CD1-CG2 3.45Å; L2249-V2277 HydrophobicContact CD2-CG2 4.11Å; L2249-V2277 HydrophobicContact CG-CG2 3.96Å; P2273-V2277 VanDerWaalsContact O-CG2 3.25Å; P2273-V2277 WeakPolarHBondContact O-CG2 3.4Å; P2273-V2277 PolarHBondContact O-N 3.02Å; E2275-V2277 VanDerWaalsContact C-N 3.3Å; E2275-V2277 PolarHBondContact O-N 3.27Å; V2277-R2279 VanDerWaalsContact C-N 3.34Å; V2277-R2279 PolarHBondContact O-N 3.37Å; V2277-K2280 PolarHBondContact O-N 3.47Å; V2277-A2281 VanDerWaalsContact O-CB 3.28Å; V2277-A2281 WeakPolarHBondContact O-CB 3.38Å; V2277-A2281 PolarHBondContact O-N 2.89Å |
| 2278 | S | 60.1 | Low | 58.6 | Low | 61 Ų | 61 | 87.5 Ų | 87.5 | 43% | 0.427 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 178.5 | -76.9 | 0 | 0 | 0 | 0 | 113.5 | S2274 E2275 A2281 L2282 | S2274-S2278 PolarHBondContact O-N 3.41Å; S2274-S2278 VanDerWaalsContact O-N 3.1Å; S2274-S2278 PolarHBondContact O-OG 2.85Å; E2275-S2278 PolarHBondContact O-N 2.98Å; S2278-A2281 WeakPolarHBondContact O-CB 3.28Å; S2278-L2282 PolarHBondContact O-N 3.24Å; S2278-L2282 VanDerWaalsContact O-N 3.13Å |
| 2279 | R | 66.9 | Low | 61.2 | Low | 196 Ų | 196 | 82.1 Ų | 82.1 | 74% | 0.74 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -67 | -43.2 | 178.8 | -134 | 177.1 | -162.2 | 151.5 | 3.7 | 112.1 | E2275 V2277 L2282 D2283 | E2275-R2279 PolarHBondContact O-N 3.38Å; V2277-R2279 VanDerWaalsContact C-N 3.34Å; V2277-R2279 PolarHBondContact O-N 3.37Å; R2279-L2282 WeakPolarHBondContact O-CB 3.45Å; R2279-L2282 PolarHBondContact O-N 3.34Å; R2279-D2283 PolarHBondContact O-N 2.95Å; R2279-D2283 VanDerWaalsContact O-N 3.14Å |
| 2280 | K | 65.8 | Low | 63.8 | Low | 70 Ų | 70 | 75.4 Ų | 75.4 | 30% | 0.304 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.9 | -33.2 | -179.8 | -143.5 | 166.5 | -177.2 | -170.2 | 0 | 112.6 | L2248 C2252 V2276 V2277 L2282 D2283 I2284 | L2248-K2280 PolarHBondContact O-NZ 2.92Å; C2252-K2280 PolarHBondContact SG-NZ 3.47Å; V2276-K2280 PolarHBondContact O-N 3.16Å; V2277-K2280 PolarHBondContact O-N 3.47Å; K2280-L2282 VanDerWaalsContact C-N 3.33Å; K2280-D2283 PolarHBondContact O-N 3.15Å; K2280-I2284 WeakPolarHBondContact O-CG1 3.39Å; K2280-I2284 PolarHBondContact O-N 3.3Å; K2280-I2284 VanDerWaalsContact O-N 3.1Å |
| 2281 | A | 66.5 | Low | 66.5 | Low | 2 Ų | 2 | 69.6 Ų | 69.6 | 2% | 0.017 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.1 | -45.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V2239 Y2240 V2277 S2278 I2284 V2285 | V2239-A2281 HydrophobicContact CG1-CB 3.41Å; V2239-A2281 VanDerWaalsContact CG1-CB 3.41Å; V2239-A2281 WeakPolarHBondContact CG1-O 3.44Å; Y2240-A2281 HydrophobicContact CD1-CB 4.28Å; Y2240-A2281 HydrophobicContact CE1-CB 4.06Å; V2277-A2281 VanDerWaalsContact O-CB 3.28Å; V2277-A2281 WeakPolarHBondContact O-CB 3.38Å; V2277-A2281 PolarHBondContact O-N 2.89Å; S2278-A2281 WeakPolarHBondContact O-CB 3.28Å; A2281-I2284 PolarHBondContact O-N 3.43Å; A2281-V2285 WeakPolarHBondContact O-CG2 3.47Å; A2281-V2285 PolarHBondContact O-N 2.86Å; A2281-V2285 VanDerWaalsContact O-N 3.07Å |
| 2282 | L | 71 | Confident | 68.9 | Low | 95 Ų | 95 | 66.3 Ų | 66.3 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 175.8 | -79.5 | 159.9 | 0 | 0 | 0 | 112.1 | Y2240 S2278 R2279 K2280 I2284 V2285 Q2286 | Y2240-L2282 WeakPolarHBondContact OH-CD2 3.28Å; Y2240-L2282 WeakPolarHBondContact OH-CG 3.18Å; S2278-L2282 PolarHBondContact O-N 3.24Å; S2278-L2282 VanDerWaalsContact O-N 3.13Å; R2279-L2282 WeakPolarHBondContact O-CB 3.45Å; R2279-L2282 PolarHBondContact O-N 3.34Å; K2280-L2282 VanDerWaalsContact C-N 3.33Å; L2282-I2284 VanDerWaalsContact C-N 3.32Å; L2282-I2284 PolarHBondContact O-N 2.85Å; L2282-V2285 PolarHBondContact O-N 3.38Å; L2282-Q2286 WeakPolarHBondContact O-CB 3.39Å; L2282-Q2286 PolarHBondContact O-N 3.11Å |
| 2283 | D | 75.2 | Confident | 70.8 | Confident | 109 Ų | 109 | 61.6 Ų | 61.6 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.5 | -40.3 | 177.5 | -68.3 | -22 | 0 | 0 | 0 | 112.1 | R2279 K2280 Q2286 R2287 | R2279-D2283 PolarHBondContact O-N 2.95Å; R2279-D2283 VanDerWaalsContact O-N 3.14Å; K2280-D2283 PolarHBondContact O-N 3.15Å; D2283-Q2286 PolarHBondContact O-N 2.85Å; D2283-R2287 VanDerWaalsContact O-CB 3.3Å; D2283-R2287 WeakPolarHBondContact O-CB 3.27Å; D2283-R2287 PolarHBondContact O-N 3.48Å |
| 2284 | I | 76.7 | Confident | 72.6 | Confident | 25 Ų | 25 | 57.2 Ų | 57.2 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 177 | -67.7 | 166.9 | 0 | 0 | 0 | 110.9 | F2164 V2239 L2248 K2280 A2281 L2282 Q2286 R2287 I2288 | F2164-I2284 HydrophobicContact CB-CD1 4.37Å; F2164-I2284 HydrophobicContact CB-CG2 4.07Å; F2164-I2284 HydrophobicContact CD1-CG2 3.66Å; F2164-I2284 HydrophobicContact CD2-CG2 4.32Å; F2164-I2284 HydrophobicContact CE1-CG2 4.21Å; F2164-I2284 HydrophobicContact CG-CG2 3.76Å; V2239-I2284 HydrophobicContact CG2-CG2 4.06Å; L2248-I2284 HydrophobicContact CD1-CD1 3.76Å; L2248-I2284 HydrophobicContact CD2-CD1 4.13Å; K2280-I2284 WeakPolarHBondContact O-CG1 3.39Å; K2280-I2284 PolarHBondContact O-N 3.3Å; K2280-I2284 VanDerWaalsContact O-N 3.1Å; A2281-I2284 PolarHBondContact O-N 3.43Å; L2282-I2284 VanDerWaalsContact C-N 3.32Å; L2282-I2284 PolarHBondContact O-N 2.85Å; I2284-Q2286 VanDerWaalsContact C-N 3.32Å; I2284-Q2286 PolarHBondContact O-N 3.42Å; I2284-R2287 WeakPolarHBondContact O-CB 3.5Å; I2284-R2287 PolarHBondContact O-N 3.03Å; I2284-I2288 HydrophobicContact CG2-CD1 3.9Å; I2284-I2288 WeakPolarHBondContact O-CG1 3.4Å; I2284-I2288 PolarHBondContact O-N 3.23Å |
| 2285 | V | 77.3 | Confident | 74.2 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 178.6 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | V2232 E2236 V2239 A2281 L2282 R2287 I2288 R2289 | V2232-V2285 HydrophobicContact CG1-CG1 4.15Å; E2236-V2285 HydrophobicContact CG-CB 4.43Å; E2236-V2285 HydrophobicContact CG-CG1 3.65Å; E2236-V2285 HydrophobicContact CG-CG2 3.84Å; V2239-V2285 HydrophobicContact CB-CG2 4.23Å; V2239-V2285 HydrophobicContact CG1-CG2 4.21Å; V2239-V2285 HydrophobicContact CG2-CG2 4.39Å; A2281-V2285 WeakPolarHBondContact O-CG2 3.47Å; A2281-V2285 PolarHBondContact O-N 2.86Å; A2281-V2285 VanDerWaalsContact O-N 3.07Å; L2282-V2285 PolarHBondContact O-N 3.38Å; V2285-R2287 VanDerWaalsContact C-N 3.35Å; V2285-R2287 PolarHBondContact O-N 2.96Å; V2285-I2288 PolarHBondContact O-N 3.18Å; V2285-R2289 WeakPolarHBondContact O-CB 3.22Å; V2285-R2289 PolarHBondContact O-N 3.3Å |
| 2286 | Q | 79.9 | Confident | 75.5 | Confident | 89 Ų | 89 | 54.9 Ų | 54.9 | 42% | 0.416 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 176.5 | -170.7 | 60 | 32 | 0 | 0 | 111 | L2282 D2283 I2284 I2288 R2289 D2290 | L2282-Q2286 WeakPolarHBondContact O-CB 3.39Å; L2282-Q2286 PolarHBondContact O-N 3.11Å; D2283-Q2286 PolarHBondContact O-N 2.85Å; I2284-Q2286 VanDerWaalsContact C-N 3.32Å; I2284-Q2286 PolarHBondContact O-N 3.42Å; Q2286-I2288 VanDerWaalsContact C-N 3.34Å; Q2286-I2288 PolarHBondContact O-N 2.9Å; Q2286-R2289 CarbonylContact O-C 3.59Å; Q2286-R2289 WeakPolarHBondContact O-CA 3.43Å; Q2286-R2289 WeakPolarHBondContact O-CB 3.32Å; Q2286-R2289 PolarHBondContact O-N 3.02Å; Q2286-R2289 VanDerWaalsContact O-N 3.09Å; Q2286-D2290 PolarHBondContact NE2-OD1 3.42Å; Q2286-D2290 VanDerWaalsContact O-CG 3.22Å; Q2286-D2290 PolarHBondContact O-N 3.14Å |
| 2287 | R | 83.1 | Confident | 76.6 | Confident | 92 Ų | 92 | 52.4 Ų | 52.4 | 35% | 0.347 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 176 | -175.6 | 62.3 | 173.8 | 164.2 | 4.7 | 112.5 | E2165 D2283 I2284 V2285 R2289 D2290 K2291 D2296 | E2165-R2287 IonicContact OE1-NE 3.54Å; E2165-R2287 IonicContact OE2-NE 2.8Å; D2283-R2287 VanDerWaalsContact O-CB 3.3Å; D2283-R2287 WeakPolarHBondContact O-CB 3.27Å; D2283-R2287 PolarHBondContact O-N 3.48Å; I2284-R2287 WeakPolarHBondContact O-CB 3.5Å; I2284-R2287 PolarHBondContact O-N 3.03Å; V2285-R2287 VanDerWaalsContact C-N 3.35Å; V2285-R2287 PolarHBondContact O-N 2.96Å; R2287-R2289 VanDerWaalsContact C-N 3.33Å; R2287-D2290 PolarHBondContact O-N 3.18Å; R2287-K2291 WeakPolarHBondContact O-CG 3.43Å; R2287-K2291 PolarHBondContact O-N 3.02Å; R2287-K2291 VanDerWaalsContact O-N 3.08Å; R2287-D2296 PolarHBondContact NH1-O 3.24Å |
| 2288 | I | 83.9 | Confident | 77 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 176 | -66.8 | 162.3 | 0 | 0 | 0 | 110.5 | I2135 F2164 L2235 I2284 V2285 Q2286 D2290 K2291 L2292 | I2135-I2288 HydrophobicContact CG2-CG2 4.2Å; F2164-I2288 HydrophobicContact CD1-CD1 4.06Å; F2164-I2288 HydrophobicContact CE1-CD1 3.8Å; L2235-I2288 HydrophobicContact CB-CD1 4.47Å; L2235-I2288 HydrophobicContact CD1-CD1 4.16Å; L2235-I2288 HydrophobicContact CD1-CG2 3.86Å; I2284-I2288 HydrophobicContact CG2-CD1 3.9Å; I2284-I2288 WeakPolarHBondContact O-CG1 3.4Å; I2284-I2288 PolarHBondContact O-N 3.23Å; V2285-I2288 PolarHBondContact O-N 3.18Å; Q2286-I2288 VanDerWaalsContact C-N 3.34Å; Q2286-I2288 PolarHBondContact O-N 2.9Å; I2288-D2290 VanDerWaalsContact C-N 3.33Å; I2288-K2291 PolarHBondContact O-N 3.31Å; I2288-L2292 HydrophobicContact CG2-CD1 3.94Å; I2288-L2292 PolarHBondContact O-N 3.41Å |
| 2289 | R | 83.3 | Confident | 77 | Confident | 66 Ų | 66 | 61 Ų | 61 | 25% | 0.249 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 176.2 | -154.8 | -178.1 | -80.8 | -176.2 | -2.4 | 111.2 | E1684 E2236 V2285 Q2286 R2287 L2292 T2293 | E1684-R2289 IonicContact OE1-NH1 3.95Å; E2236-R2289 IonicContact OE1-NH2 2.7Å; E2236-R2289 PolarHBondContact OE1-NH2 3.28Å; V2285-R2289 WeakPolarHBondContact O-CB 3.22Å; V2285-R2289 PolarHBondContact O-N 3.3Å; Q2286-R2289 CarbonylContact O-C 3.59Å; Q2286-R2289 WeakPolarHBondContact O-CA 3.43Å; Q2286-R2289 WeakPolarHBondContact O-CB 3.32Å; Q2286-R2289 PolarHBondContact O-N 3.02Å; Q2286-R2289 VanDerWaalsContact O-N 3.09Å; R2287-R2289 VanDerWaalsContact C-N 3.33Å; R2289-L2292 PolarHBondContact O-N 3.08Å; R2289-T2293 WeakPolarHBondContact O-CB 3.47Å; R2289-T2293 WeakPolarHBondContact O-CG2 3.28Å; R2289-T2293 PolarHBondContact O-N 2.81Å; R2289-T2293 PolarHBondContact O-OG1 2.87Å |
| 2290 | D | 85.4 | Confident | 76.7 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -43 | 174.5 | -64 | -21.6 | 0 | 0 | 0 | 111.3 | Q2286 R2287 I2288 T2293 G2294 R2295 | Q2286-D2290 PolarHBondContact NE2-OD1 3.42Å; Q2286-D2290 VanDerWaalsContact O-CG 3.22Å; Q2286-D2290 PolarHBondContact O-N 3.14Å; R2287-D2290 PolarHBondContact O-N 3.18Å; I2288-D2290 VanDerWaalsContact C-N 3.33Å; D2290-T2293 WeakPolarHBondContact CA-OG1 3.28Å; D2290-T2293 CarbonylContact O-C 3.51Å; D2290-T2293 PolarHBondContact O-N 3.28Å; D2290-T2293 PolarHBondContact O-OG1 3.37Å; D2290-G2294 PolarHBondContact O-N 3.3Å; D2290-R2295 HydrophobicContact CB-CB 4.42Å; D2290-R2295 PolarHBondContact O-N 3.42Å |
| 2291 | K | 87.4 | Confident | 76.5 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.017 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 174.3 | -66.9 | 179.3 | -178.5 | 177.8 | 0 | 112.5 | Y2134 E2165 R2287 I2288 T2293 G2294 D2296 Q2310 | Y2134-K2291 HydrophobicContact CE1-CB 4.21Å; Y2134-K2291 HydrophobicContact CE1-CD 4.27Å; Y2134-K2291 HydrophobicContact CE1-CG 4.33Å; Y2134-K2291 HydrophobicContact CE2-CD 4.07Å; Y2134-K2291 HydrophobicContact CE2-CG 4.33Å; Y2134-K2291 PolarHBondContact O-NZ 2.9Å; E2165-K2291 WeakPolarHBondContact OE1-CE 3.42Å; E2165-K2291 IonicContact OE1-NZ 2.8Å; E2165-K2291 PolarHBondContact OE1-NZ 3.49Å; R2287-K2291 WeakPolarHBondContact O-CG 3.43Å; R2287-K2291 PolarHBondContact O-N 3.02Å; R2287-K2291 VanDerWaalsContact O-N 3.08Å; I2288-K2291 PolarHBondContact O-N 3.31Å; K2291-T2293 PolarHBondContact O-N 3.35Å; K2291-G2294 PolarHBondContact O-N 3.1Å; K2291-D2296 HydrophobicContact CG-CB 4.11Å; K2291-Q2310 PolarHBondContact O-NE2 2.63Å |
| 2292 | L | 85.5 | Confident | 76 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70 | -14 | 177.4 | -76 | 164.3 | 0 | 0 | 0 | 113.1 | I2135 L2224 R2225 R2228 I2231 V2232 I2288 R2289 | I2135-L2292 HydrophobicContact CD1-CD2 3.55Å; I2135-L2292 HydrophobicContact CD1-CG 4.2Å; I2135-L2292 HydrophobicContact CG2-CG 4.37Å; L2224-L2292 HydrophobicContact CB-CD2 4.19Å; R2225-L2292 VanDerWaalsContact CG-O 3.29Å; R2225-L2292 WeakPolarHBondContact CG-O 3.46Å; R2225-L2292 PolarHBondContact NE-O 3.46Å; R2228-L2292 HydrophobicContact CB-CB 4.02Å; R2228-L2292 HydrophobicContact CB-CD1 4.06Å; R2228-L2292 HydrophobicContact CB-CD2 4.2Å; R2228-L2292 HydrophobicContact CB-CG 4.34Å; I2231-L2292 HydrophobicContact CB-CD1 4.47Å; I2231-L2292 HydrophobicContact CD1-CD2 4.35Å; I2231-L2292 HydrophobicContact CG2-CD1 4.21Å; V2232-L2292 HydrophobicContact CG2-CD1 3.78Å; I2288-L2292 HydrophobicContact CG2-CD1 3.94Å; I2288-L2292 PolarHBondContact O-N 3.41Å; R2289-L2292 PolarHBondContact O-N 3.08Å |
| 2293 | T | 83 | Confident | 75.7 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 18% | 0.184 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -109.2 | -0.4 | 176.3 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | R2225 R2289 D2290 K2291 R2295 | R2225-T2293 PolarHBondContact NH2-O 3.42Å; R2289-T2293 WeakPolarHBondContact O-CB 3.47Å; R2289-T2293 WeakPolarHBondContact O-CG2 3.28Å; R2289-T2293 PolarHBondContact O-N 2.81Å; R2289-T2293 PolarHBondContact O-OG1 2.87Å; D2290-T2293 WeakPolarHBondContact CA-OG1 3.28Å; D2290-T2293 CarbonylContact O-C 3.51Å; D2290-T2293 PolarHBondContact O-N 3.28Å; D2290-T2293 PolarHBondContact O-OG1 3.37Å; K2291-T2293 PolarHBondContact O-N 3.35Å; T2293-R2295 VanDerWaalsContact C-N 3.28Å |
| 2294 | G | 82.9 | Confident | 75.7 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 27.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R2225 D2290 K2291 L2305 | R2225-G2294 VanDerWaalsContact NH2-CA 3.33Å; D2290-G2294 PolarHBondContact O-N 3.3Å; K2291-G2294 PolarHBondContact O-N 3.1Å; G2294-L2305 PolarHBondContact O-N 3.49Å |
| 2295 | R | 81.7 | Confident | 76 | Confident | 146 Ų | 146 | 64 Ų | 64 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | trans | -108 | 18.7 | 179.1 | -66.6 | -174.6 | 176.9 | -172.7 | -1 | 112 | D2290 T2293 F2297 I2298 A2304 | D2290-R2295 HydrophobicContact CB-CB 4.42Å; D2290-R2295 PolarHBondContact O-N 3.42Å; T2293-R2295 VanDerWaalsContact C-N 3.28Å; R2295-F2297 VanDerWaalsContact C-N 3.32Å; R2295-F2297 PolarHBondContact O-N 3Å; R2295-I2298 HydrophobicContact CB-CD1 4.16Å; R2295-I2298 HydrophobicContact CB-CG1 4.33Å; R2295-I2298 WeakPolarHBondContact O-CD1 3.35Å; R2295-I2298 WeakPolarHBondContact O-CG1 3.47Å; R2295-A2304 HydrophobicContact CG-CB 4.05Å | ||
| 2296 | D | 79.8 | Confident | 76.4 | Confident | 13 Ų | 13 | 68.1 Ų | 68.1 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -13.6 | -176.1 | 62.1 | -50.3 | 0 | 0 | 0 | 113.8 | Y2134 R2287 K2291 Q2310 | Y2134-D2296 PolarHBondContact OH-OD2 3.21Å; R2287-D2296 PolarHBondContact NH1-O 3.24Å; K2291-D2296 HydrophobicContact CG-CB 4.11Å; D2296-Q2310 PolarHBondContact OD1-NE2 3.05Å |
| 2297 | F | 78.7 | Confident | 76.7 | Confident | 24 Ų | 24 | 65.1 Ų | 65.1 | 11% | 0.105 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 30.7 | -179.8 | -59.8 | -74.8 | 0 | 0 | 0 | 114.2 | R2295 N2299 L2300 Y2301 L2305 V2313 L2314 | R2295-F2297 VanDerWaalsContact C-N 3.32Å; R2295-F2297 PolarHBondContact O-N 3Å; F2297-N2299 PolarHBondContact O-N 3.31Å; F2297-L2300 PolarHBondContact O-N 2.79Å; F2297-Y2301 HydrophobicContact CB-CD2 4.39Å; F2297-Y2301 PolarHBondContact O-N 2.81Å; F2297-Y2301 VanDerWaalsContact O-N 3.14Å; F2297-L2305 HydrophobicContact CB-CD1 4.32Å; F2297-L2305 HydrophobicContact CD2-CD1 3.78Å; F2297-L2305 HydrophobicContact CG-CD1 4.47Å; F2297-V2313 HydrophobicContact CD1-CG1 4.38Å; F2297-V2313 HydrophobicContact CD2-CG1 4.36Å; F2297-V2313 HydrophobicContact CE1-CG1 3.99Å; F2297-V2313 HydrophobicContact CE2-CB 4.43Å; F2297-V2313 HydrophobicContact CE2-CG1 3.94Å; F2297-V2313 HydrophobicContact CZ-CG1 3.76Å; F2297-L2314 HydrophobicContact CE2-CD2 4.43Å; F2297-L2314 HydrophobicContact CZ-CD2 4.07Å |
| 2298 | I | 62.3 | Low | 76.9 | Confident | 103 Ų | 103 | 63.7 Ų | 63.7 | 53% | 0.528 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -29.9 | -177 | -70.2 | 156.2 | 0 | 0 | 0 | 113.5 | R2295 L2300 Y2301 | R2295-I2298 HydrophobicContact CB-CD1 4.16Å; R2295-I2298 HydrophobicContact CB-CG1 4.33Å; R2295-I2298 WeakPolarHBondContact O-CD1 3.35Å; R2295-I2298 WeakPolarHBondContact O-CG1 3.47Å; I2298-L2300 PolarHBondContact O-N 3.06Å; I2298-Y2301 WeakPolarHBondContact CA-O 3.27Å |
| 2299 | N | 60.8 | Low | 77.1 | Confident | 167 Ų | 167 | 65.1 Ų | 65.1 | 89% | 0.893 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -17.3 | 179 | -66.5 | -15.8 | 0 | 0 | 0 | 114 | F2297 | F2297-N2299 PolarHBondContact O-N 3.31Š|
| 2300 | L | 61 | Low | 77.4 | Confident | 124 Ų | 124 | 62 Ų | 62 | 65% | 0.649 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -31 | 179.9 | -73.5 | 161.8 | 0 | 0 | 0 | 112.3 | F2297 I2298 | F2297-L2300 PolarHBondContact O-N 2.79Å; I2298-L2300 PolarHBondContact O-N 3.06Å |
| 2301 | Y | 60.8 | Low | 77.6 | Confident | 119 Ų | 119 | 60.4 Ų | 60.4 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | trans | -135.6 | 129.4 | -176.9 | -58.6 | -79.7 | 0 | 0 | 0 | 110.6 | F2297 I2298 D2303 L2305 V2313 | F2297-Y2301 HydrophobicContact CB-CD2 4.39Å; F2297-Y2301 PolarHBondContact O-N 2.81Å; F2297-Y2301 VanDerWaalsContact O-N 3.14Å; I2298-Y2301 WeakPolarHBondContact CA-O 3.27Å; Y2301-D2303 VanDerWaalsContact C-N 3.35Å; Y2301-L2305 HydrophobicContact CD2-CD1 4.32Å; Y2301-L2305 HydrophobicContact CD2-CD2 4.23Å; Y2301-L2305 HydrophobicContact CG-CD2 4.19Å; Y2301-V2313 HydrophobicContact CE2-CG2 4.47Å | ||
| 2302 | A | 55.5 | Low | 77.6 | Confident | 101 Ų | 101 | 62.4 Ų | 62.4 | 84% | 0.835 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -73.6 | -25 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 2303 | D | 66.7 | Low | 77.8 | Confident | 139 Ų | 139 | 63.4 Ų | 63.4 | 74% | 0.743 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -106.7 | 157 | -177 | -67.1 | -38.6 | 0 | 0 | 0 | 112.1 | Y2301 L2305 | Y2301-D2303 VanDerWaalsContact C-N 3.35Å; D2303-L2305 PolarHBondContact O-N 3.39Å |
| 2304 | A | 75 | Confident | 78.1 | Confident | 56 Ų | 56 | 62 Ų | 62 | 46% | 0.463 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 127.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R2295 | R2295-A2304 HydrophobicContact CG-CB 4.05Š|
| 2305 | L | 82.6 | Confident | 78.4 | Confident | 21 Ų | 21 | 62.3 Ų | 62.3 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 138.5 | -179.6 | -67.1 | 164.6 | 0 | 0 | 0 | 110.9 | R2225 G2294 F2297 Y2301 D2303 A2309 Q2310 | R2225-L2305 PolarHBondContact NH1-O 2.89Å; R2225-L2305 PolarHBondContact NH2-O 3.12Å; G2294-L2305 PolarHBondContact O-N 3.49Å; F2297-L2305 HydrophobicContact CB-CD1 4.32Å; F2297-L2305 HydrophobicContact CD2-CD1 3.78Å; F2297-L2305 HydrophobicContact CG-CD1 4.47Å; Y2301-L2305 HydrophobicContact CD2-CD1 4.32Å; Y2301-L2305 HydrophobicContact CD2-CD2 4.23Å; Y2301-L2305 HydrophobicContact CG-CD2 4.19Å; D2303-L2305 PolarHBondContact O-N 3.39Å; L2305-A2309 HydrophobicContact CD2-CB 4.06Å; L2305-Q2310 HydrophobicContact CB-CB 4.16Å |
| 2306 | D | 84.4 | Confident | 78.7 | Confident | 95 Ų | 95 | 59.8 Ų | 59.8 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 169.8 | 168 | 79.3 | -8.3 | 0 | 0 | 0 | 110.7 | A2309 Q2310 | D2306-A2309 WeakPolarHBondContact OD1-CA 3.4Å; D2306-A2309 WeakPolarHBondContact OD1-CB 3.39Å; D2306-A2309 PolarHBondContact OD1-N 3.01Å; D2306-Q2310 WeakPolarHBondContact O-CB 3.34Å; D2306-Q2310 PolarHBondContact O-N 3.38Å |
| 2307 | V | 87.9 | Confident | 79.1 | Confident | 25 Ų | 25 | 62.3 Ų | 62.3 | 15% | 0.152 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.8 | -49.6 | -175.6 | 171.5 | 0 | 0 | 0 | 0 | 111.9 | E2218 L2221 A2309 Q2310 V2311 | E2218-V2307 HydrophobicContact CB-CG1 4.11Å; E2218-V2307 HydrophobicContact CG-CG1 4.38Å; E2218-V2307 WeakPolarHBondContact O-CG1 3.48Å; L2221-V2307 HydrophobicContact CB-CG1 4.13Å; L2221-V2307 HydrophobicContact CD2-CG1 4.21Å; L2221-V2307 HydrophobicContact CG-CG1 4.36Å; V2307-A2309 PolarHBondContact O-N 3.07Å; V2307-Q2310 PolarHBondContact O-N 2.79Å; V2307-V2311 WeakPolarHBondContact O-CG2 3.36Å; V2307-V2311 PolarHBondContact O-N 2.92Å; V2307-V2311 VanDerWaalsContact O-N 3.08Å |
| 2308 | P | 87.1 | Confident | 79.5 | Confident | 62 Ų | 62 | 61.2 Ų | 61.2 | 40% | 0.403 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 177.7 | -24.6 | 34.7 | 0 | 0 | 0 | 113.8 | Q2310 V2311 E2312 | P2308-Q2310 PolarHBondContact O-N 3.31Å; P2308-V2311 PolarHBondContact O-N 3.31Å; P2308-E2312 PolarHBondContact O-N 3.36Å |
| 2309 | A | 86.7 | Confident | 80.6 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | -180 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2305 D2306 V2307 V2311 E2312 V2313 | L2305-A2309 HydrophobicContact CD2-CB 4.06Å; D2306-A2309 WeakPolarHBondContact OD1-CA 3.4Å; D2306-A2309 WeakPolarHBondContact OD1-CB 3.39Å; D2306-A2309 PolarHBondContact OD1-N 3.01Å; V2307-A2309 PolarHBondContact O-N 3.07Å; A2309-V2311 PolarHBondContact O-N 3.21Å; A2309-E2312 PolarHBondContact O-N 3.41Å; A2309-V2313 WeakPolarHBondContact O-CG2 3.48Å; A2309-V2313 PolarHBondContact O-N 2.81Å; A2309-V2313 VanDerWaalsContact O-N 3.15Å |
| 2310 | Q | 90 | Very high | 81.9 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 176.1 | -168.2 | 178.8 | 11.6 | 0 | 0 | 111.4 | Y2134 L2221 K2291 D2296 L2305 D2306 V2307 P2308 V2313 L2314 | Y2134-Q2310 PolarHBondContact OH-NE2 3.18Å; L2221-Q2310 HydrophobicContact CD2-CB 4.44Å; L2221-Q2310 HydrophobicContact CD2-CG 4.4Å; K2291-Q2310 PolarHBondContact O-NE2 2.63Å; D2296-Q2310 PolarHBondContact OD1-NE2 3.05Å; L2305-Q2310 HydrophobicContact CB-CB 4.16Å; D2306-Q2310 WeakPolarHBondContact O-CB 3.34Å; D2306-Q2310 PolarHBondContact O-N 3.38Å; V2307-Q2310 PolarHBondContact O-N 2.79Å; P2308-Q2310 PolarHBondContact O-N 3.31Å; Q2310-V2313 PolarHBondContact O-N 2.8Å; Q2310-L2314 HydrophobicContact CG-CD1 4.37Å; Q2310-L2314 VanDerWaalsContact O-CG 3.28Å; Q2310-L2314 WeakPolarHBondContact O-CG 3.44Å; Q2310-L2314 PolarHBondContact O-N 3.24Å; Q2310-L2314 VanDerWaalsContact O-N 3.13Å |
| 2311 | V | 89.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 177.5 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | M2131 R2214 C2217 E2218 L2221 V2307 P2308 A2309 L2314 I2315 | M2131-V2311 HydrophobicContact SD-CG2 4.33Å; R2214-V2311 HydrophobicContact CG-CG1 4.49Å; C2217-V2311 HydrophobicContact CB-CG1 3.75Å; C2217-V2311 HydrophobicContact CB-CG2 4.13Å; E2218-V2311 HydrophobicContact CG-CB 4.47Å; E2218-V2311 HydrophobicContact CG-CG2 4.24Å; L2221-V2311 HydrophobicContact CD2-CG2 3.84Å; V2307-V2311 WeakPolarHBondContact O-CG2 3.36Å; V2307-V2311 PolarHBondContact O-N 2.92Å; V2307-V2311 VanDerWaalsContact O-N 3.08Å; P2308-V2311 PolarHBondContact O-N 3.31Å; A2309-V2311 PolarHBondContact O-N 3.21Å; V2311-L2314 PolarHBondContact O-N 3.39Å; V2311-I2315 HydrophobicContact CG1-CD1 3.72Å; V2311-I2315 HydrophobicContact CG1-CG1 4.36Å; V2311-I2315 WeakPolarHBondContact O-CG1 3.4Å; V2311-I2315 PolarHBondContact O-N 2.88Å |
| 2312 | E | 88.2 | Confident | 84.5 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 22% | 0.22 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.3 | -49.9 | 175.7 | 177.4 | 71.7 | -128.3 | 0 | 0 | 111.6 | R2214 P2308 A2309 L2314 I2315 Q2316 | R2214-E2312 IonicContact CZ-OE2 3.25Å; R2214-E2312 IonicContact NH1-OE2 2.8Å; R2214-E2312 PolarHBondContact NH1-OE2 3.23Å; R2214-E2312 IonicContact NH2-OE1 2.75Å; R2214-E2312 IonicContact NH2-OE2 3.86Å; R2214-E2312 PolarHBondContact NH2-OE2 3.04Å; P2308-E2312 PolarHBondContact O-N 3.36Å; A2309-E2312 PolarHBondContact O-N 3.41Å; E2312-L2314 VanDerWaalsContact C-N 3.3Å; E2312-L2314 PolarHBondContact O-N 2.88Å; E2312-I2315 PolarHBondContact O-N 3.42Å; E2312-Q2316 WeakPolarHBondContact O-CG 3.17Å; E2312-Q2316 PolarHBondContact O-N 3.23Å; E2312-Q2316 PolarHBondContact OE1-NE2 3.37Å |
| 2313 | V | 88 | Confident | 86.1 | Confident | 21 Ų | 21 | 45.2 Ų | 45.2 | 13% | 0.127 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 179.1 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | F2297 Y2301 A2309 Q2310 Q2316 Q2317 | F2297-V2313 HydrophobicContact CD1-CG1 4.38Å; F2297-V2313 HydrophobicContact CD2-CG1 4.36Å; F2297-V2313 HydrophobicContact CE1-CG1 3.99Å; F2297-V2313 HydrophobicContact CE2-CB 4.43Å; F2297-V2313 HydrophobicContact CE2-CG1 3.94Å; F2297-V2313 HydrophobicContact CZ-CG1 3.76Å; Y2301-V2313 HydrophobicContact CE2-CG2 4.47Å; A2309-V2313 WeakPolarHBondContact O-CG2 3.48Å; A2309-V2313 PolarHBondContact O-N 2.81Å; A2309-V2313 VanDerWaalsContact O-N 3.15Å; Q2310-V2313 PolarHBondContact O-N 2.8Å; V2313-Q2316 PolarHBondContact O-N 3.04Å; V2313-Q2317 PolarHBondContact O-N 3.33Å |
| 2314 | L | 90.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 178.5 | -69.4 | 171.1 | 0 | 0 | 0 | 112.5 | Y2134 P2178 F2179 F2297 Q2310 V2311 E2312 Q2316 Q2317 A2318 | Y2134-L2314 HydrophobicContact CD1-CD1 3.87Å; Y2134-L2314 HydrophobicContact CD2-CD1 4.45Å; Y2134-L2314 HydrophobicContact CD2-CD2 3.65Å; Y2134-L2314 HydrophobicContact CE1-CD1 3.71Å; Y2134-L2314 HydrophobicContact CE1-CD2 4.29Å; Y2134-L2314 HydrophobicContact CE2-CD1 4.3Å; Y2134-L2314 HydrophobicContact CE2-CD2 3.34Å; Y2134-L2314 HydrophobicContact CE2-CG 4.45Å; Y2134-L2314 HydrophobicContact CG-CD1 4.23Å; Y2134-L2314 HydrophobicContact CG-CD2 4.23Å; P2178-L2314 HydrophobicContact CB-CD2 3.91Å; P2178-L2314 HydrophobicContact CG-CD2 4.19Å; F2179-L2314 HydrophobicContact CE1-CB 3.95Å; F2179-L2314 HydrophobicContact CZ-CB 4.27Å; F2297-L2314 HydrophobicContact CE2-CD2 4.43Å; F2297-L2314 HydrophobicContact CZ-CD2 4.07Å; Q2310-L2314 HydrophobicContact CG-CD1 4.37Å; Q2310-L2314 VanDerWaalsContact O-CG 3.28Å; Q2310-L2314 WeakPolarHBondContact O-CG 3.44Å; Q2310-L2314 PolarHBondContact O-N 3.24Å; Q2310-L2314 VanDerWaalsContact O-N 3.13Å; V2311-L2314 PolarHBondContact O-N 3.39Å; E2312-L2314 VanDerWaalsContact C-N 3.3Å; E2312-L2314 PolarHBondContact O-N 2.88Å; L2314-Q2316 VanDerWaalsContact C-N 3.34Å; L2314-Q2317 PolarHBondContact O-N 2.93Å; L2314-A2318 WeakPolarHBondContact O-CB 3.42Å; L2314-A2318 PolarHBondContact O-N 3.38Å |
| 2315 | I | 89.2 | Confident | 87.6 | Confident | 9 Ų | 9 | 36.4 Ų | 36.4 | 5% | 0.046 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -41.6 | 176.7 | -70.6 | 169 | 0 | 0 | 0 | 110.7 | L2181 V2209 F2213 V2311 E2312 A2318 T2319 | L2181-I2315 HydrophobicContact CD2-CG2 4.4Å; V2209-I2315 HydrophobicContact CG1-CD1 4.02Å; V2209-I2315 HydrophobicContact CG1-CG1 4.32Å; V2209-I2315 HydrophobicContact CG1-CG2 3.9Å; F2213-I2315 HydrophobicContact CD1-CD1 4.36Å; F2213-I2315 HydrophobicContact CE1-CD1 4.22Å; F2213-I2315 HydrophobicContact CE1-CG1 4.17Å; V2311-I2315 HydrophobicContact CG1-CD1 3.72Å; V2311-I2315 HydrophobicContact CG1-CG1 4.36Å; V2311-I2315 WeakPolarHBondContact O-CG1 3.4Å; V2311-I2315 PolarHBondContact O-N 2.88Å; E2312-I2315 PolarHBondContact O-N 3.42Å; I2315-A2318 PolarHBondContact O-N 3.43Å; I2315-T2319 PolarHBondContact O-N 3.16Å; I2315-T2319 VanDerWaalsContact O-N 3.1Å; I2315-T2319 PolarHBondContact O-OG1 2.99Å |
| 2316 | Q | 87.3 | Confident | 87.8 | Confident | 94 Ų | 94 | 38.1 Ų | 38.1 | 44% | 0.439 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63 | -45.3 | 177 | -72.2 | -179.5 | 10.4 | 0 | 0 | 111.7 | E2312 V2313 L2314 A2318 T2319 A2320 | E2312-Q2316 WeakPolarHBondContact O-CG 3.17Å; E2312-Q2316 PolarHBondContact O-N 3.23Å; E2312-Q2316 PolarHBondContact OE1-NE2 3.37Å; V2313-Q2316 PolarHBondContact O-N 3.04Å; L2314-Q2316 VanDerWaalsContact C-N 3.34Å; Q2316-A2318 VanDerWaalsContact C-N 3.32Å; Q2316-A2318 PolarHBondContact O-N 3.4Å; Q2316-T2319 PolarHBondContact O-N 3.18Å; Q2316-T2319 PolarHBondContact O-OG1 3Å; Q2316-A2320 WeakPolarHBondContact O-CB 3.45Å; Q2316-A2320 PolarHBondContact O-N 3.43Å; Q2316-A2320 VanDerWaalsContact O-N 3.07Å |
| 2317 | Q | 88 | Confident | 87.9 | Confident | 66 Ų | 66 | 34 Ų | 34 | 31% | 0.308 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 175.3 | -78.9 | -166.1 | -18 | 0 | 0 | 112.7 | I2177 P2178 V2313 L2314 T2319 N2323 | I2177-Q2317 WeakPolarHBondContact CG2-O 3.16Å; P2178-Q2317 HydrophobicContact CG-CB 4.17Å; V2313-Q2317 PolarHBondContact O-N 3.33Å; L2314-Q2317 PolarHBondContact O-N 2.93Å; Q2317-T2319 VanDerWaalsContact C-N 3.31Å; Q2317-T2319 PolarHBondContact O-N 2.81Å; Q2317-N2323 PolarHBondContact O-ND2 3.25Å; Q2317-N2323 VanDerWaalsContact O-ND2 3.08Å |
| 2318 | A | 87.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.2 | -27.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P2178 F2179 L2181 L2314 I2315 Q2316 | P2178-A2318 HydrophobicContact CG-CB 4.15Å; F2179-A2318 HydrophobicContact CD2-CB 4.01Å; F2179-A2318 HydrophobicContact CE2-CB 3.65Å; F2179-A2318 HydrophobicContact CZ-CB 4.11Å; L2181-A2318 HydrophobicContact CB-CB 3.88Å; L2181-A2318 HydrophobicContact CD2-CB 4.5Å; L2314-A2318 WeakPolarHBondContact O-CB 3.42Å; L2314-A2318 PolarHBondContact O-N 3.38Å; I2315-A2318 PolarHBondContact O-N 3.43Å; Q2316-A2318 VanDerWaalsContact C-N 3.32Å; Q2316-A2318 PolarHBondContact O-N 3.4Å |
| 2319 | T | 86.7 | Confident | 87.6 | Confident | 27 Ų | 27 | 37.6 Ų | 37.6 | 17% | 0.166 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -104.5 | -9.4 | -175.3 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | L2181 I2315 Q2316 Q2317 H2321 | L2181-T2319 HydrophobicContact CD2-CG2 3.93Å; L2181-T2319 HydrophobicContact CG-CG2 4.26Å; I2315-T2319 PolarHBondContact O-N 3.16Å; I2315-T2319 VanDerWaalsContact O-N 3.1Å; I2315-T2319 PolarHBondContact O-OG1 2.99Å; Q2316-T2319 PolarHBondContact O-N 3.18Å; Q2316-T2319 PolarHBondContact O-OG1 3Å; Q2317-T2319 VanDerWaalsContact C-N 3.31Å; Q2317-T2319 PolarHBondContact O-N 2.81Å; T2319-H2321 PolarHBondContact O-N 3.04Å |
| 2320 | A | 87.2 | Confident | 87.4 | Confident | 32 Ų | 32 | 37.4 Ų | 37.4 | 26% | 0.264 | 19% | 0.192 | S | C | . | . | trans | -62.7 | 124.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q2316 E2322 N2323 L2324 | Q2316-A2320 WeakPolarHBondContact O-CB 3.45Å; Q2316-A2320 PolarHBondContact O-N 3.43Å; Q2316-A2320 VanDerWaalsContact O-N 3.07Å; A2320-E2322 PolarHBondContact O-N 3Å; A2320-N2323 PolarHBondContact O-N 3.38Å; A2320-N2323 VanDerWaalsContact O-N 3.09Å; A2320-L2324 PolarHBondContact O-N 2.98Å; A2320-L2324 VanDerWaalsContact O-N 3.11Å | ||
| 2321 | H | 87.6 | Confident | 87.2 | Confident | 73 Ų | 73 | 37.8 Ų | 37.8 | 34% | 0.338 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.2 | -33 | 177.6 | -63.9 | 172.3 | 0 | 0 | 0 | 112.3 | I2086 E2090 T2319 N2323 L2324 C2325 | I2086-H2321 HydrophobicContact CG2-CB 4.44Å; E2090-H2321 IonicContact OE1-CE1 2.63Å; E2090-H2321 IonicContact OE1-CG 2.74Å; E2090-H2321 IonicContact OE1-ND1 3.6Å; E2090-H2321 PolarHBondContact OE1-ND1 3.16Å; T2319-H2321 PolarHBondContact O-N 3.04Å; H2321-N2323 VanDerWaalsContact C-N 3.3Å; H2321-N2323 PolarHBondContact O-N 3Å; H2321-L2324 PolarHBondContact O-N 3.19Å; H2321-C2325 WeakPolarHBondContact O-CB 3.5Å; H2321-C2325 PolarHBondContact O-N 3.45Å; H2321-C2325 PolarHBondContact O-SG 2.97Å; H2321-C2325 VanDerWaalsContact O-SG 3.36Å |
| 2322 | E | 88.2 | Confident | 87.1 | Confident | 116 Ų | 116 | 38.5 Ų | 38.5 | 54% | 0.542 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -55.7 | -41.6 | 173.7 | -81.3 | -175.4 | 163.4 | 0 | 0 | 112.8 | V2082 I2086 A2320 C2325 Q2326 | V2082-E2322 HydrophobicContact CG1-CG 4.46Å; I2086-E2322 HydrophobicContact CD1-CB 4.47Å; I2086-E2322 HydrophobicContact CD1-CG 3.45Å; I2086-E2322 VanDerWaalsContact CD1-CG 3.45Å; I2086-E2322 HydrophobicContact CG1-CG 4.32Å; A2320-E2322 PolarHBondContact O-N 3Å; E2322-C2325 PolarHBondContact O-SG 2.96Å; E2322-Q2326 WeakPolarHBondContact O-CG 3.3Å; E2322-Q2326 PolarHBondContact O-NE2 3.19Å |
| 2323 | N | 89.1 | Confident | 87 | Confident | 30 Ų | 30 | 36.6 Ų | 36.6 | 16% | 0.16 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -80.1 | -40.5 | -179.5 | -66.4 | -25.7 | 0 | 0 | 0 | 111.1 | K2176 I2177 Q2317 A2320 H2321 Q2326 C2327 | K2176-N2323 HydrophobicContact CB-CB 4.21Å; I2177-N2323 HydrophobicContact CG2-CB 4.05Å; Q2317-N2323 PolarHBondContact O-ND2 3.25Å; Q2317-N2323 VanDerWaalsContact O-ND2 3.08Å; A2320-N2323 PolarHBondContact O-N 3.38Å; A2320-N2323 VanDerWaalsContact O-N 3.09Å; H2321-N2323 VanDerWaalsContact C-N 3.3Å; H2321-N2323 PolarHBondContact O-N 3Å; N2323-Q2326 PolarHBondContact O-N 3.48Å; N2323-C2327 PolarHBondContact O-SG 3.13Å; N2323-C2327 VanDerWaalsContact O-SG 3.41Å |
| 2324 | L | 87.6 | Confident | 86.9 | Confident | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.2 | -39.8 | -178.1 | -72.9 | 167.2 | 0 | 0 | 0 | 112.5 | F2089 I2177 T2182 A2320 H2321 Q2326 C2327 W2331 P2333 | F2089-L2324 HydrophobicContact CE1-CB 4.22Å; F2089-L2324 HydrophobicContact CZ-CB 4.17Å; I2177-L2324 HydrophobicContact CD1-CD2 3.95Å; T2182-L2324 HydrophobicContact CG2-CD2 4.14Å; A2320-L2324 PolarHBondContact O-N 2.98Å; A2320-L2324 VanDerWaalsContact O-N 3.11Å; H2321-L2324 PolarHBondContact O-N 3.19Å; L2324-Q2326 PolarHBondContact O-N 3.32Å; L2324-C2327 WeakPolarHBondContact O-CB 3.29Å; L2324-C2327 PolarHBondContact O-N 2.63Å; L2324-W2331 HydrophobicContact CD2-CH2 4.14Å; L2324-W2331 HydrophobicContact CD2-CZ3 3.76Å; L2324-P2333 HydrophobicContact CB-CB 4.24Å; L2324-P2333 HydrophobicContact CD2-CB 4.38Å; L2324-P2333 WeakPolarHBondContact O-CB 3.4Å |
| 2325 | C | 86.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -17.6 | -177.5 | 77 | 0 | 0 | 0 | 0 | 113.6 | K2085 F2089 H2321 E2322 | K2085-C2325 HydrophobicContact CB-CB 4.05Å; F2089-C2325 HydrophobicContact CB-CB 4.13Å; F2089-C2325 HydrophobicContact CD1-CB 4.42Å; F2089-C2325 HydrophobicContact CD2-CB 4.46Å; F2089-C2325 HydrophobicContact CG-CB 4.12Å; H2321-C2325 WeakPolarHBondContact O-CB 3.5Å; H2321-C2325 PolarHBondContact O-N 3.45Å; H2321-C2325 PolarHBondContact O-SG 2.97Å; H2321-C2325 VanDerWaalsContact O-SG 3.36Å; E2322-C2325 PolarHBondContact O-SG 2.96Å |
| 2326 | Q | 86.6 | Confident | 86.6 | Confident | 56 Ų | 56 | 37.8 Ų | 37.8 | 26% | 0.262 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -15.3 | 176.2 | -70.2 | 178.5 | 75.7 | 0 | 0 | 113.2 | V2082 E2322 N2323 L2324 | V2082-Q2326 HydrophobicContact CG1-CG 4.48Å; V2082-Q2326 HydrophobicContact CG2-CG 4.19Å; E2322-Q2326 WeakPolarHBondContact O-CG 3.3Å; E2322-Q2326 PolarHBondContact O-NE2 3.19Å; N2323-Q2326 PolarHBondContact O-N 3.48Å; L2324-Q2326 PolarHBondContact O-N 3.32Å |
| 2327 | C | 86.2 | Confident | 86.5 | Confident | 8 Ų | 8 | 34.8 Ų | 34.8 | 5% | 0.054 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -67.2 | 150.7 | -179.7 | -65 | 0 | 0 | 0 | 0 | 111.6 | I2177 N2323 L2324 W2331 P2333 | I2177-C2327 WeakPolarHBondContact CD1-SG 3.48Å; N2323-C2327 PolarHBondContact O-SG 3.13Å; N2323-C2327 VanDerWaalsContact O-SG 3.41Å; L2324-C2327 WeakPolarHBondContact O-CB 3.29Å; L2324-C2327 PolarHBondContact O-N 2.63Å; C2327-W2331 HydrophobicContact CB-CB 4.32Å; C2327-W2331 HydrophobicContact CB-CD2 4.29Å; C2327-W2331 HydrophobicContact CB-CE3 4.11Å; C2327-W2331 HydrophobicContact CB-CG 4.4Å; C2327-P2333 HydrophobicContact CB-CB 4.32Å; C2327-P2333 HydrophobicContact CB-CG 4.36Å |
| 2328 | Y | 85.3 | Confident | 86.4 | Confident | 127 Ų | 127 | 33.1 Ų | 33.1 | 50% | 0.498 | 17% | 0.174 | S | C | . | . | trans | -56.3 | 142.5 | 174.7 | 170.6 | -121.1 | 0 | 0 | 0 | 111.2 | F2173 G2330 W2331 | F2173-Y2328 HydrophobicContact CD2-CD2 4.43Å; F2173-Y2328 HydrophobicContact CE2-CD2 4.45Å; Y2328-G2330 VanDerWaalsContact C-N 3.26Å; Y2328-G2330 VanDerWaalsContact CE1-CA 3.4Å; Y2328-G2330 VanDerWaalsContact CE1-N 3.35Å; Y2328-G2330 PolarHBondContact O-N 3.24Å; Y2328-W2331 WeakPolarHBondContact O-CA 3.43Å; Y2328-W2331 WeakPolarHBondContact O-CB 3.49Å; Y2328-W2331 PolarHBondContact O-N 3.38Å | ||
| 2329 | V | 84.1 | Confident | 86.4 | Confident | 37 Ų | 37 | 35 Ų | 35 | 22% | 0.224 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -61.6 | -33 | -174.5 | 104.2 | 0 | 0 | 0 | 0 | 113.2 | H2067 W2331 C2332 F2334 | H2067-V2329 VanDerWaalsContact CE1-CG2 3.45Å; H2067-V2329 WeakPolarHBondContact CE1-CG2 3.34Å; H2067-V2329 VanDerWaalsContact ND1-CG2 3.34Å; H2067-V2329 WeakPolarHBondContact ND1-CG2 3.5Å; V2329-W2331 PolarHBondContact O-N 2.95Å; V2329-C2332 PolarHBondContact O-N 3.04Å; V2329-F2334 HydrophobicContact CG2-CE1 4.27Å |
| 2330 | G | 81 | Confident | 86.4 | Confident | 31 Ų | 31 | 35.5 Ų | 35.5 | 32% | 0.32 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -73.9 | -10.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y2328 C2332 | Y2328-G2330 VanDerWaalsContact C-N 3.26Å; Y2328-G2330 VanDerWaalsContact CE1-CA 3.4Å; Y2328-G2330 VanDerWaalsContact CE1-N 3.35Å; Y2328-G2330 PolarHBondContact O-N 3.24Å; G2330-C2332 PolarHBondContact O-N 3Å |
| 2331 | W | 85.7 | Confident | 86.3 | Confident | 9 Ų | 9 | 35.7 Ų | 35.7 | 3% | 0.034 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -68.8 | -19.9 | 165.5 | -161.8 | 87.3 | 0 | 0 | 0 | 111.7 | R2141 E2175 I2177 R2180 T2182 L2324 C2327 Y2328 V2329 P2333 | R2141-W2331 HydrophobicContact CB-CZ2 4.3Å; E2175-W2331 PolarHBondContact OE1-NE1 2.96Å; I2177-W2331 HydrophobicContact CD1-CH2 3.22Å; I2177-W2331 HydrophobicContact CD1-CZ2 3.51Å; I2177-W2331 HydrophobicContact CD1-CZ3 3.8Å; R2180-W2331 HydrophobicContact CB-CH2 4.07Å; R2180-W2331 HydrophobicContact CB-CZ2 3.91Å; R2180-W2331 HydrophobicContact CG-CH2 3.63Å; R2180-W2331 HydrophobicContact CG-CZ2 3.83Å; R2180-W2331 HydrophobicContact CG-CZ3 4.46Å; R2180-W2331 VanDerWaalsContact CZ-O 3.27Å; R2180-W2331 PolarHBondContact NH1-O 2.88Å; R2180-W2331 PolarHBondContact NH2-O 3.22Å; T2182-W2331 HydrophobicContact CG2-CH2 3.89Å; T2182-W2331 HydrophobicContact CG2-CZ3 3.59Å; L2324-W2331 HydrophobicContact CD2-CH2 4.14Å; L2324-W2331 HydrophobicContact CD2-CZ3 3.76Å; C2327-W2331 HydrophobicContact CB-CB 4.32Å; C2327-W2331 HydrophobicContact CB-CD2 4.29Å; C2327-W2331 HydrophobicContact CB-CE3 4.11Å; C2327-W2331 HydrophobicContact CB-CG 4.4Å; Y2328-W2331 WeakPolarHBondContact O-CA 3.43Å; Y2328-W2331 WeakPolarHBondContact O-CB 3.49Å; Y2328-W2331 PolarHBondContact O-N 3.38Å; V2329-W2331 PolarHBondContact O-N 2.95Å; W2331-P2333 HydrophobicContact CE3-CB 3.87Å; W2331-P2333 HydrophobicContact CZ3-CB 4.1Å |
| 2332 | C | 88.5 | Confident | 86.2 | Confident | 14 Ų | 14 | 33.1 Ų | 33.1 | 10% | 0.095 | 17% | 0.169 | C | C | . | . | trans | 55.6 | 61 | -176.9 | -54.6 | 0 | 0 | 0 | 0 | 113.7 | P2143 R2180 V2329 G2330 F2334 W2335 | P2143-C2332 HydrophobicContact CG-CB 3.93Å; R2180-C2332 PolarHBondContact NH2-O 2.79Å; V2329-C2332 PolarHBondContact O-N 3.04Å; G2330-C2332 PolarHBondContact O-N 3Å; C2332-F2334 HydrophobicContact CB-CE2 4.34Å; C2332-F2334 HydrophobicContact CB-CZ 4.31Å; C2332-F2334 PolarHBondContact O-N 3.42Å; C2332-W2335 HydrophobicContact CB-CB 4.48Å; C2332-W2335 HydrophobicContact CB-CD2 3.47Å; C2332-W2335 VanDerWaalsContact CB-CD2 3.47Å; C2332-W2335 HydrophobicContact CB-CE3 3.82Å; C2332-W2335 HydrophobicContact CB-CG 3.8Å; C2332-W2335 HydrophobicContact CB-CZ2 4.22Å; C2332-W2335 HydrophobicContact CB-CZ3 4.37Å; C2332-W2335 PolarHBondContact O-N 3.12Å | ||
| 2333 | P | 85.7 | Confident | 86 | Confident | 8 Ų | 8 | 26.7 Ų | 26.7 | 5% | 0.052 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22.9 | -177.7 | 24.6 | -31.9 | 0 | 0 | 0 | 114.1 | F2089 L2324 C2327 W2331 W2335 | F2089-P2333 HydrophobicContact CE2-CB 3.99Å; F2089-P2333 HydrophobicContact CE2-CG 3.98Å; F2089-P2333 HydrophobicContact CZ-CB 4.07Å; L2324-P2333 HydrophobicContact CB-CB 4.24Å; L2324-P2333 HydrophobicContact CD2-CB 4.38Å; L2324-P2333 WeakPolarHBondContact O-CB 3.4Å; C2327-P2333 HydrophobicContact CB-CB 4.32Å; C2327-P2333 HydrophobicContact CB-CG 4.36Å; W2331-P2333 HydrophobicContact CE3-CB 3.87Å; W2331-P2333 HydrophobicContact CZ3-CB 4.1Å; P2333-W2335 VanDerWaalsContact C-N 3.33Å |
| 2334 | F | 86 | Confident | 85.8 | Confident | 8 Ų | 8 | 26.4 Ų | 26.4 | 4% | 0.035 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -7.4 | -179.1 | 43.8 | -98.8 | 0 | 0 | 0 | 114.4 | E2066 H2067 M2070 F2089 L2093 R2183 V2329 C2332 | E2066-F2334 HydrophobicContact CB-CB 3.99Å; E2066-F2334 HydrophobicContact CB-CD1 4.47Å; E2066-F2334 HydrophobicContact CB-CD2 3.31Å; E2066-F2334 HydrophobicContact CB-CE2 3.85Å; E2066-F2334 HydrophobicContact CB-CG 3.67Å; E2066-F2334 HydrophobicContact CG-CB 4.22Å; E2066-F2334 HydrophobicContact CG-CD2 3.61Å; E2066-F2334 HydrophobicContact CG-CE2 4.37Å; E2066-F2334 HydrophobicContact CG-CG 4.19Å; H2067-F2334 HydrophobicContact CB-CZ 4.31Å; M2070-F2334 HydrophobicContact SD-CD1 4.09Å; F2089-F2334 HydrophobicContact CE2-CB 3.77Å; F2089-F2334 HydrophobicContact CE2-CD1 4.42Å; F2089-F2334 HydrophobicContact CZ-CB 4.29Å; L2093-F2334 HydrophobicContact CD2-CB 4.14Å; R2183-F2334 PolarHBondContact NE-O 2.99Å; R2183-F2334 VanDerWaalsContact NE-O 3.12Å; R2183-F2334 PolarHBondContact NH2-O 3.42Å; V2329-F2334 HydrophobicContact CG2-CE1 4.27Å; C2332-F2334 HydrophobicContact CB-CE2 4.34Å; C2332-F2334 HydrophobicContact CB-CZ 4.31Å; C2332-F2334 PolarHBondContact O-N 3.42Å |
| 2335 | W | 85.9 | Confident | 85.6 | Confident | 8 Ų | 8 | 28 Ų | 28 | 3% | 0.03 | 15% | 0.147 | C | C | . | . | trans | -67.9 | 0 | 176.4 | -72.4 | -4.2 | 0 | 0 | 0 | 110.1 | H2049 L2052 P2143 T2182 R2183 M2184 C2332 P2333 | H2049-W2335 AromaticContact ND1-CH2 3.46Å; H2049-W2335 WeakPolarHBondContact ND1-CH2 3.4Å; L2052-W2335 HydrophobicContact CD1-CD2 4.16Å; L2052-W2335 HydrophobicContact CD1-CE3 3.52Å; L2052-W2335 HydrophobicContact CD1-CH2 4.27Å; L2052-W2335 HydrophobicContact CD1-CZ3 3.56Å; P2143-W2335 HydrophobicContact CB-CE3 3.77Å; P2143-W2335 HydrophobicContact CB-CH2 4.37Å; P2143-W2335 HydrophobicContact CB-CZ3 3.33Å; P2143-W2335 HydrophobicContact CG-CD2 4.46Å; P2143-W2335 HydrophobicContact CG-CE3 3.41Å; P2143-W2335 VanDerWaalsContact CG-CE3 3.41Å; P2143-W2335 HydrophobicContact CG-CH2 4.23Å; P2143-W2335 HydrophobicContact CG-CZ3 3.3Å; T2182-W2335 WeakPolarHBondContact CB-O 3.47Å; T2182-W2335 PolarHBondContact OG1-O 3.5Å; R2183-W2335 WeakPolarHBondContact CG-OXT 3.46Å; R2183-W2335 PolarHBondContact N-O 3.36Å; R2183-W2335 PolarHBondContact NE-OXT 3.28Å; M2184-W2335 WeakPolarHBondContact CB-O 3.36Å; M2184-W2335 WeakPolarHBondContact CB-OXT 3.34Å; M2184-W2335 HydrophobicContact CE-CB 3.99Å; M2184-W2335 HydrophobicContact CE-CG 4.22Å; M2184-W2335 PolarHBondContact N-O 2.96Å; M2184-W2335 VanDerWaalsContact N-O 3.12Å; M2184-W2335 PolarHBondContact N-OXT 3.27Å; M2184-W2335 HydrophobicContact SD-CB 4.09Å; C2332-W2335 HydrophobicContact CB-CB 4.48Å; C2332-W2335 HydrophobicContact CB-CD2 3.47Å; C2332-W2335 VanDerWaalsContact CB-CD2 3.47Å; C2332-W2335 HydrophobicContact CB-CE3 3.82Å; C2332-W2335 HydrophobicContact CB-CG 3.8Å; C2332-W2335 HydrophobicContact CB-CZ2 4.22Å; C2332-W2335 HydrophobicContact CB-CZ3 4.37Å; C2332-W2335 PolarHBondContact O-N 3.12Å; P2333-W2335 VanDerWaalsContact C-N 3.33Å |
Retrieved 2,335 of 2,335 residues in 938.9 ms
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