| 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 | 52.1 | Low | 52 | Low | 206 Ų | 206 | 115 Ų | 115 | 100% | 1.015 | 56% | 0.564 | S | S | * | * | 0 | -54.2 | 0 | -122.1 | 169.9 | 65.9 | 0 | 0 | 112.5 | I3 Q4 L5 | M1-I3 PolarHBondContact O-N 3.19Å; M1-Q4 PolarHBondContact O-N 3.31Å; M1-L5 PolarHBondContact O-N 3.17Å | |||
| 2 | K | 48.2 | Very low | 53.1 | Low | 172 Ų | 172 | 115.8 Ų | 115.8 | 75% | 0.748 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -53.9 | -44.9 | 178 | -73.7 | -173.6 | 173.7 | -172.8 | 0 | 114.9 | Q4 L5 F6 | K2-Q4 VanDerWaalsContact C-N 3.31Å; K2-Q4 PolarHBondContact O-N 3.19Å; K2-L5 PolarHBondContact O-N 3.14Å; K2-L5 VanDerWaalsContact O-N 3.1Å; K2-F6 WeakPolarHBondContact O-CD2 3.21Å; K2-F6 PolarHBondContact O-N 2.8Å; K2-F6 VanDerWaalsContact O-N 3.14Å |
| 3 | I | 41.6 | Very low | 54.1 | Low | 149 Ų | 149 | 107.3 Ų | 107.3 | 76% | 0.764 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.7 | -38.2 | 179.2 | -66 | 168.4 | 0 | 0 | 0 | 112.6 | M1 A7 | M1-I3 PolarHBondContact O-N 3.19Å; I3-A7 PolarHBondContact O-N 3.34Å |
| 4 | Q | 42.9 | Very low | 55.1 | Low | 156 Ų | 156 | 104.1 Ų | 104.1 | 73% | 0.729 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.8 | -29.8 | 178.1 | -74.1 | -165.7 | -61.1 | 0 | 0 | 112.6 | M1 K2 F8 | M1-Q4 PolarHBondContact O-N 3.31Å; K2-Q4 VanDerWaalsContact C-N 3.31Å; K2-Q4 PolarHBondContact O-N 3.19Å; Q4-F8 PolarHBondContact O-N 2.72Å |
| 5 | L | 49.3 | Very low | 56.1 | Low | 106 Ų | 106 | 97.7 Ų | 97.7 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.6 | -39.6 | 177.7 | -170.9 | 64.3 | 0 | 0 | 0 | 111.5 | M1 K2 K9 | M1-L5 PolarHBondContact O-N 3.17Å; K2-L5 PolarHBondContact O-N 3.14Å; K2-L5 VanDerWaalsContact O-N 3.1Å; L5-K9 WeakPolarHBondContact O-CG 3.47Å; L5-K9 PolarHBondContact O-N 2.66Å |
| 6 | F | 53.2 | Low | 56.9 | Low | 76 Ų | 76 | 94.6 Ų | 94.6 | 33% | 0.333 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -49.6 | 174.1 | -88.4 | -88.6 | 0 | 0 | 0 | 111.7 | K2 F8 K9 V10 I20 | K2-F6 WeakPolarHBondContact O-CD2 3.21Å; K2-F6 PolarHBondContact O-N 2.8Å; K2-F6 VanDerWaalsContact O-N 3.14Å; F6-F8 VanDerWaalsContact C-N 3.28Å; F6-F8 PolarHBondContact O-N 2.65Å; F6-K9 PolarHBondContact O-N 3.47Å; F6-V10 WeakPolarHBondContact O-CG2 3.18Å; F6-V10 PolarHBondContact O-N 2.99Å; F6-I20 HydrophobicContact CD1-CB 4.45Å; F6-I20 HydrophobicContact CD1-CG2 4.08Å; F6-I20 HydrophobicContact CE1-CB 4.24Å; F6-I20 HydrophobicContact CE1-CG2 3.73Å |
| 7 | A | 53.1 | Low | 57.7 | Low | 47 Ų | 47 | 94.3 Ų | 94.3 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56.2 | -40.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I3 K9 V10 E11 | I3-A7 PolarHBondContact O-N 3.34Å; A7-K9 VanDerWaalsContact C-N 3.35Å; A7-K9 PolarHBondContact O-N 3.33Å; A7-V10 PolarHBondContact O-N 2.65Å; A7-E11 WeakPolarHBondContact O-CG 3.5Å; A7-E11 PolarHBondContact O-N 3.34Å; A7-E11 VanDerWaalsContact O-N 3.1Å |
| 8 | F | 59.2 | Low | 58.4 | Low | 120 Ų | 120 | 97.7 Ų | 97.7 | 53% | 0.526 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 176.7 | -174.9 | -100.6 | 0 | 0 | 0 | 112.7 | Q4 F6 R12 | Q4-F8 PolarHBondContact O-N 2.72Å; F6-F8 VanDerWaalsContact C-N 3.28Å; F6-F8 PolarHBondContact O-N 2.65Å; F8-R12 VanDerWaalsContact O-CB 3.28Å; F8-R12 WeakPolarHBondContact O-CB 3.27Å; F8-R12 PolarHBondContact O-N 3.47Å |
| 9 | K | 58.1 | Low | 58.8 | Low | 21 Ų | 21 | 95.8 Ų | 95.8 | 9% | 0.091 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -72.2 | -39.1 | 177.1 | -70.4 | -176.8 | 174.8 | -145.6 | 0 | 112.1 | L5 F6 A7 E11 R12 F13 I20 F76 D77 L80 | L5-K9 WeakPolarHBondContact O-CG 3.47Å; L5-K9 PolarHBondContact O-N 2.66Å; F6-K9 PolarHBondContact O-N 3.47Å; A7-K9 VanDerWaalsContact C-N 3.35Å; A7-K9 PolarHBondContact O-N 3.33Å; K9-E11 PolarHBondContact O-N 3.21Å; K9-R12 PolarHBondContact O-N 3.22Å; K9-F13 HydrophobicContact CB-CD2 4.24Å; K9-F13 HydrophobicContact CB-CE2 4.48Å; K9-F13 HydrophobicContact CG-CE2 4.38Å; K9-F13 VanDerWaalsContact O-CD2 3.28Å; K9-F13 WeakPolarHBondContact O-CD2 3.27Å; K9-F13 PolarHBondContact O-N 3.43Å; K9-I20 HydrophobicContact CB-CD1 3.86Å; K9-F76 HydrophobicContact CD-CE1 4.47Å; K9-D77 WeakPolarHBondContact CE-OD1 3.28Å; K9-D77 IonicContact NZ-OD1 3.6Å; K9-D77 PolarHBondContact NZ-OD1 2.97Å; K9-L80 HydrophobicContact CD-CD1 3.85Å; K9-L80 HydrophobicContact CG-CD1 4.46Å |
| 10 | V | 54.9 | Low | 59.6 | Low | 46 Ų | 46 | 91.1 Ų | 91.1 | 28% | 0.279 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -56.4 | -50.2 | 173.1 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | F6 A7 R12 G14 L15 D17 I20 | F6-V10 WeakPolarHBondContact O-CG2 3.18Å; F6-V10 PolarHBondContact O-N 2.99Å; A7-V10 PolarHBondContact O-N 2.65Å; V10-R12 PolarHBondContact O-N 3.05Å; V10-G14 VanDerWaalsContact O-CA 3.27Å; V10-G14 WeakPolarHBondContact O-CA 3.39Å; V10-G14 PolarHBondContact O-N 3.49Å; V10-L15 WeakPolarHBondContact CA-O 3.32Å; V10-L15 WeakPolarHBondContact CG1-O 3.35Å; V10-L15 WeakPolarHBondContact CG2-O 3.42Å; V10-D17 WeakPolarHBondContact CG2-OD1 3.49Å; V10-I20 HydrophobicContact CG2-CD1 3.7Å |
| 11 | E | 59.2 | Low | 60.3 | Low | 166 Ų | 166 | 88.8 Ų | 88.8 | 78% | 0.776 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.7 | -37.2 | 179.6 | -72 | -178.6 | 173.8 | 0 | 0 | 112.8 | A7 K9 | A7-E11 WeakPolarHBondContact O-CG 3.5Å; A7-E11 PolarHBondContact O-N 3.34Å; A7-E11 VanDerWaalsContact O-N 3.1Å; K9-E11 PolarHBondContact O-N 3.21Å |
| 12 | R | 64.9 | Low | 61.2 | Low | 124 Ų | 124 | 83.2 Ų | 83.2 | 47% | 0.468 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -73.4 | -40 | -177.1 | -173.3 | 177.1 | 178.9 | -165.6 | -1.9 | 113.1 | F8 K9 V10 D77 | F8-R12 VanDerWaalsContact O-CB 3.28Å; F8-R12 WeakPolarHBondContact O-CB 3.27Å; F8-R12 PolarHBondContact O-N 3.47Å; K9-R12 PolarHBondContact O-N 3.22Å; V10-R12 PolarHBondContact O-N 3.05Å; R12-D77 IonicContact NH1-OD2 2.66Å; R12-D77 PolarHBondContact NH1-OD2 3.1Å |
| 13 | F | 66.9 | Low | 62.6 | Low | 6 Ų | 6 | 75.5 Ų | 75.5 | 3% | 0.026 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -108.4 | -15 | -172 | -57.7 | -66.1 | 0 | 0 | 0 | 113.7 | K9 L15 D77 L80 Q81 | K9-F13 HydrophobicContact CB-CD2 4.24Å; K9-F13 HydrophobicContact CB-CE2 4.48Å; K9-F13 HydrophobicContact CG-CE2 4.38Å; K9-F13 VanDerWaalsContact O-CD2 3.28Å; K9-F13 WeakPolarHBondContact O-CD2 3.27Å; K9-F13 PolarHBondContact O-N 3.43Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 HydrophobicContact CB-CD1 3.86Å; F13-L15 HydrophobicContact CB-CG 3.97Å; F13-D77 HydrophobicContact CZ-CB 4.33Å; F13-D77 VanDerWaalsContact CZ-O 3.31Å; F13-D77 WeakPolarHBondContact CZ-O 3.28Å; F13-L80 HydrophobicContact CD1-CB 4.46Å; F13-L80 HydrophobicContact CD2-CB 3.98Å; F13-L80 HydrophobicContact CD2-CD1 4Å; F13-L80 HydrophobicContact CE1-CB 4.45Å; F13-L80 HydrophobicContact CE2-CB 3.95Å; F13-L80 HydrophobicContact CE2-CD1 3.93Å; F13-L80 HydrophobicContact CG-CB 4.24Å; F13-L80 HydrophobicContact CZ-CB 4.19Å; F13-Q81 HydrophobicContact CD1-CB 4.21Å; F13-Q81 HydrophobicContact CD1-CG 4.34Å; F13-Q81 HydrophobicContact CE1-CB 3.64Å; F13-Q81 HydrophobicContact CE1-CG 3.93Å |
| 14 | G | 67.3 | Low | 64.5 | Low | 62 Ų | 62 | 71.5 Ų | 71.5 | 64% | 0.639 | 37% | 0.374 | S | S | * | . | trans | 72.5 | 27.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V10 | V10-G14 VanDerWaalsContact O-CA 3.27Å; V10-G14 WeakPolarHBondContact O-CA 3.39Å; V10-G14 PolarHBondContact O-N 3.49Å | ||
| 15 | L | 70 | Confident | 66.2 | Low | 9 Ų | 9 | 69.4 Ų | 69.4 | 5% | 0.047 | 37% | 0.365 | C | S | . | . | trans | -104.6 | 141.5 | -178 | -62.7 | 173.1 | 0 | 0 | 0 | 110.2 | V10 F13 Q19 I20 F23 L80 M87 | V10-L15 WeakPolarHBondContact CA-O 3.32Å; V10-L15 WeakPolarHBondContact CG1-O 3.35Å; V10-L15 WeakPolarHBondContact CG2-O 3.42Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 HydrophobicContact CB-CD1 3.86Å; F13-L15 HydrophobicContact CB-CG 3.97Å; L15-Q19 HydrophobicContact CB-CB 4.4Å; L15-I20 HydrophobicContact CB-CD1 4.33Å; L15-I20 HydrophobicContact CB-CG1 3.86Å; L15-I20 HydrophobicContact CD1-CG1 4.48Å; L15-F23 HydrophobicContact CD1-CD2 3.82Å; L15-F23 HydrophobicContact CD1-CE2 3.64Å; L15-F23 HydrophobicContact CD2-CE2 3.96Å; L15-F23 HydrophobicContact CG-CE2 4.37Å; L15-L80 HydrophobicContact CD1-CD2 3.94Å; L15-M87 HydrophobicContact CD2-SD 4.1Å | ||
| 16 | A | 70.2 | Confident | 67.5 | Low | 47 Ų | 47 | 64.5 Ų | 64.5 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | trans | -70 | 155.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E18 Q19 I20 | A16-E18 PolarHBondContact O-N 3.15Å; A16-Q19 HydrophobicContact CB-CG 4.25Å; A16-Q19 WeakPolarHBondContact O-CB 3.14Å; A16-Q19 PolarHBondContact O-N 3.47Å; A16-I20 WeakPolarHBondContact O-CG1 3.35Å; A16-I20 PolarHBondContact O-N 3.11Å | ||
| 17 | D | 70.4 | Confident | 68.9 | Low | 90 Ų | 90 | 61 Ų | 61 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -54.8 | -37 | 179.5 | -77.3 | -25.5 | 0 | 0 | 0 | 112.4 | V10 I20 A21 | V10-D17 WeakPolarHBondContact CG2-OD1 3.49Å; D17-I20 PolarHBondContact O-N 3.14Å; D17-A21 PolarHBondContact O-N 2.95Å |
| 18 | E | 69.9 | Low | 70.4 | Confident | 156 Ų | 156 | 62.8 Ų | 62.8 | 73% | 0.729 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.7 | -43.9 | 176.1 | -70.5 | 168.1 | -176.8 | 0 | 0 | 111.8 | A16 I20 A21 E22 | A16-E18 PolarHBondContact O-N 3.15Å; E18-I20 VanDerWaalsContact C-N 3.34Å; E18-I20 PolarHBondContact O-N 3.1Å; E18-A21 WeakPolarHBondContact O-CB 3.4Å; E18-A21 PolarHBondContact O-N 3.41Å; E18-E22 WeakPolarHBondContact O-CG 3.47Å; E18-E22 PolarHBondContact O-N 3.01Å |
| 19 | Q | 66.9 | Low | 71.4 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 29% | 0.29 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 176.5 | -62.4 | 177.8 | -64.5 | 0 | 0 | 111.3 | L15 A16 A21 E22 F23 | L15-Q19 HydrophobicContact CB-CB 4.4Å; A16-Q19 HydrophobicContact CB-CG 4.25Å; A16-Q19 WeakPolarHBondContact O-CB 3.14Å; A16-Q19 PolarHBondContact O-N 3.47Å; Q19-A21 VanDerWaalsContact C-N 3.3Å; Q19-A21 PolarHBondContact O-N 3.42Å; Q19-E22 PolarHBondContact O-N 3.22Å; Q19-F23 HydrophobicContact CB-CE2 4.2Å; Q19-F23 WeakPolarHBondContact O-CD2 3.47Å; Q19-F23 WeakPolarHBondContact O-CG 3.46Å; Q19-F23 PolarHBondContact O-N 3.18Å |
| 20 | I | 73.1 | Confident | 72.6 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 175.7 | -63.8 | 168.9 | 0 | 0 | 0 | 110.4 | F6 K9 V10 L15 A16 D17 E18 F23 Q24 F76 L80 | F6-I20 HydrophobicContact CD1-CB 4.45Å; F6-I20 HydrophobicContact CD1-CG2 4.08Å; F6-I20 HydrophobicContact CE1-CB 4.24Å; F6-I20 HydrophobicContact CE1-CG2 3.73Å; K9-I20 HydrophobicContact CB-CD1 3.86Å; V10-I20 HydrophobicContact CG2-CD1 3.7Å; L15-I20 HydrophobicContact CB-CD1 4.33Å; L15-I20 HydrophobicContact CB-CG1 3.86Å; L15-I20 HydrophobicContact CD1-CG1 4.48Å; A16-I20 WeakPolarHBondContact O-CG1 3.35Å; A16-I20 PolarHBondContact O-N 3.11Å; D17-I20 PolarHBondContact O-N 3.14Å; E18-I20 VanDerWaalsContact C-N 3.34Å; E18-I20 PolarHBondContact O-N 3.1Å; I20-F23 PolarHBondContact O-N 3.28Å; I20-Q24 WeakPolarHBondContact O-CB 3.47Å; I20-Q24 PolarHBondContact O-N 2.99Å; I20-F76 HydrophobicContact CG2-CE1 4.3Å; I20-F76 HydrophobicContact CG2-CZ 4.17Å; I20-L80 HydrophobicContact CG2-CD1 4.4Å |
| 21 | A | 75.5 | Confident | 74.3 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 35% | 0.347 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D17 E18 Q19 F23 Q24 E25 | D17-A21 PolarHBondContact O-N 2.95Å; E18-A21 WeakPolarHBondContact O-CB 3.4Å; E18-A21 PolarHBondContact O-N 3.41Å; Q19-A21 VanDerWaalsContact C-N 3.3Å; Q19-A21 PolarHBondContact O-N 3.42Å; A21-F23 PolarHBondContact O-N 2.99Å; A21-Q24 WeakPolarHBondContact O-CB 3.43Å; A21-Q24 PolarHBondContact O-N 3.45Å; A21-E25 PolarHBondContact O-N 2.98Å |
| 22 | E | 71.5 | Confident | 75.5 | Confident | 89 Ų | 89 | 52.8 Ų | 52.8 | 42% | 0.416 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 174.4 | -70.4 | -179.9 | 178.2 | 0 | 0 | 112 | E18 Q19 Q24 E25 A26 | E18-E22 WeakPolarHBondContact O-CG 3.47Å; E18-E22 PolarHBondContact O-N 3.01Å; Q19-E22 PolarHBondContact O-N 3.22Å; E22-Q24 VanDerWaalsContact C-N 3.31Å; E22-Q24 PolarHBondContact O-N 3.49Å; E22-E25 PolarHBondContact O-N 2.82Å; E22-A26 PolarHBondContact O-N 3.2Å |
| 23 | F | 75.9 | Confident | 76.7 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 4% | 0.044 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.3 | -34.7 | 175.3 | -68.5 | -44.1 | 0 | 0 | 0 | 112.9 | L15 Q19 I20 A21 A26 F27 F76 F79 L80 M83 M87 L178 | L15-F23 HydrophobicContact CD1-CD2 3.82Å; L15-F23 HydrophobicContact CD1-CE2 3.64Å; L15-F23 HydrophobicContact CD2-CE2 3.96Å; L15-F23 HydrophobicContact CG-CE2 4.37Å; Q19-F23 HydrophobicContact CB-CE2 4.2Å; Q19-F23 WeakPolarHBondContact O-CD2 3.47Å; Q19-F23 WeakPolarHBondContact O-CG 3.46Å; Q19-F23 PolarHBondContact O-N 3.18Å; I20-F23 PolarHBondContact O-N 3.28Å; A21-F23 PolarHBondContact O-N 2.99Å; F23-A26 PolarHBondContact O-N 2.95Å; F23-F27 VanDerWaalsContact O-CB 3.26Å; F23-F27 WeakPolarHBondContact O-CB 3.49Å; F23-F27 PolarHBondContact O-N 3.2Å; F23-F76 HydrophobicContact CB-CE2 4.16Å; F23-F76 HydrophobicContact CB-CZ 4.45Å; F23-F79 HydrophobicContact CB-CD1 4.49Å; F23-F79 HydrophobicContact CB-CE1 4.16Å; F23-F79 HydrophobicContact CD1-CE1 4.28Å; F23-L80 HydrophobicContact CB-CD2 3.57Å; F23-L80 HydrophobicContact CD2-CD2 3.56Å; F23-L80 HydrophobicContact CG-CD2 3.88Å; F23-M83 HydrophobicContact CD1-CB 4.14Å; F23-M83 HydrophobicContact CD1-CE 4.39Å; F23-M83 HydrophobicContact CD1-CG 3.82Å; F23-M83 HydrophobicContact CE1-CB 3.82Å; F23-M83 HydrophobicContact CE1-CE 3.72Å; F23-M83 HydrophobicContact CE1-CG 3.83Å; F23-M83 HydrophobicContact CE2-CB 4.22Å; F23-M83 HydrophobicContact CG-CG 4.41Å; F23-M83 HydrophobicContact CZ-CB 3.85Å; F23-M83 HydrophobicContact CZ-CE 4.41Å; F23-M83 HydrophobicContact CZ-CG 4.38Å; F23-M87 HydrophobicContact CE2-SD 4.15Å; F23-M87 HydrophobicContact CZ-SD 3.59Å; F23-M87 VanDerWaalsContact CZ-SD 3.59Å; F23-L178 HydrophobicContact CD1-CD1 3.57Å; F23-L178 HydrophobicContact CE1-CD1 3.61Å; F23-L178 HydrophobicContact CE1-CD2 4.11Å; F23-L178 HydrophobicContact CE1-CG 4.47Å |
| 24 | Q | 82 | Confident | 77.9 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 30% | 0.304 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 174.7 | -173.8 | 70.6 | 70.7 | 0 | 0 | 111.1 | I20 A21 E22 A26 F27 N28 F76 | I20-Q24 WeakPolarHBondContact O-CB 3.47Å; I20-Q24 PolarHBondContact O-N 2.99Å; A21-Q24 WeakPolarHBondContact O-CB 3.43Å; A21-Q24 PolarHBondContact O-N 3.45Å; E22-Q24 VanDerWaalsContact C-N 3.31Å; E22-Q24 PolarHBondContact O-N 3.49Å; Q24-A26 VanDerWaalsContact C-N 3.33Å; Q24-F27 PolarHBondContact O-N 3.18Å; Q24-N28 PolarHBondContact NE2-OD1 2.72Å; Q24-N28 WeakPolarHBondContact O-CB 3.47Å; Q24-N28 PolarHBondContact O-N 2.97Å; Q24-N28 PolarHBondContact O-ND2 3.34Å; Q24-N28 PolarHBondContact O-OD1 3.2Å; Q24-F76 HydrophobicContact CB-CE1 4.4Å; Q24-F76 HydrophobicContact CB-CE2 4.04Å; Q24-F76 HydrophobicContact CB-CZ 3.72Å; Q24-F76 HydrophobicContact CG-CZ 4.38Å |
| 25 | E | 79.7 | Confident | 79.1 | Confident | 112 Ų | 112 | 55.6 Ų | 55.6 | 52% | 0.523 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 174.8 | -71.6 | -177.5 | -173.4 | 0 | 0 | 112 | A21 E22 L29 | A21-E25 PolarHBondContact O-N 2.98Å; E22-E25 PolarHBondContact O-N 2.82Å; E25-L29 PolarHBondContact O-N 3.45Å |
| 26 | A | 76.4 | Confident | 80.2 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 3% | 0.033 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -48.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E22 F23 Q24 N28 L29 F30 F79 R175 L178 | E22-A26 PolarHBondContact O-N 3.2Å; F23-A26 PolarHBondContact O-N 2.95Å; Q24-A26 VanDerWaalsContact C-N 3.33Å; A26-N28 VanDerWaalsContact C-N 3.35Å; A26-N28 PolarHBondContact O-N 3.33Å; A26-L29 WeakPolarHBondContact O-CB 3.07Å; A26-L29 PolarHBondContact O-N 2.75Å; A26-F30 WeakPolarHBondContact O-CD2 3.46Å; A26-F79 HydrophobicContact CB-CZ 4.24Å; A26-R175 HydrophobicContact CB-CG 4.45Å; A26-L178 HydrophobicContact CB-CD1 3.81Å |
| 27 | F | 82.7 | Confident | 81.3 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56 | -47.3 | 178.1 | -176.8 | -87.2 | 0 | 0 | 0 | 112.1 | F23 Q24 L29 F30 D31 G36 I38 I74 F76 F79 | F23-F27 VanDerWaalsContact O-CB 3.26Å; F23-F27 WeakPolarHBondContact O-CB 3.49Å; F23-F27 PolarHBondContact O-N 3.2Å; Q24-F27 PolarHBondContact O-N 3.18Å; F27-L29 PolarHBondContact O-N 2.73Å; F27-F30 PolarHBondContact O-N 3.31Å; F27-D31 HydrophobicContact CD1-CB 4.17Å; F27-D31 HydrophobicContact CE1-CB 3.84Å; F27-D31 PolarHBondContact O-N 2.86Å; F27-D31 VanDerWaalsContact O-N 3.08Å; F27-G36 VanDerWaalsContact CZ-O 3.27Å; F27-G36 WeakPolarHBondContact CZ-O 3.12Å; F27-I38 HydrophobicContact CD2-CD1 3.48Å; F27-I38 VanDerWaalsContact CD2-CD1 3.48Å; F27-I38 HydrophobicContact CD2-CG1 4.09Å; F27-I38 HydrophobicContact CE1-CG1 4.45Å; F27-I38 HydrophobicContact CE2-CD1 3.47Å; F27-I38 VanDerWaalsContact CE2-CD1 3.47Å; F27-I38 HydrophobicContact CE2-CG1 3.65Å; F27-I38 HydrophobicContact CG-CD1 4.2Å; F27-I38 HydrophobicContact CZ-CD1 4.17Å; F27-I38 HydrophobicContact CZ-CG1 3.85Å; F27-I74 WeakPolarHBondContact CE2-O 3.42Å; F27-F76 HydrophobicContact CB-CD2 3.76Å; F27-F76 HydrophobicContact CB-CE2 4.07Å; F27-F76 HydrophobicContact CD1-CB 4.5Å; F27-F76 HydrophobicContact CD1-CD2 4.31Å; F27-F76 HydrophobicContact CD2-CB 4.16Å; F27-F76 AromaticContact CD2-CD2 3.75Å; F27-F76 HydrophobicContact CD2-CD2 3.75Å; F27-F76 HydrophobicContact CD2-CG 4.44Å; F27-F76 HydrophobicContact CE1-CB 4.36Å; F27-F76 HydrophobicContact CE2-CB 4Å; F27-F76 HydrophobicContact CE2-CD2 4.43Å; F27-F76 HydrophobicContact CG-CB 4.39Å; F27-F76 AromaticContact CG-CD2 3.66Å; F27-F76 HydrophobicContact CG-CD2 3.66Å; F27-F76 HydrophobicContact CG-CE2 4.46Å; F27-F76 HydrophobicContact CG-CG 4.41Å; F27-F76 HydrophobicContact CZ-CB 4.1Å; F27-F79 HydrophobicContact CB-CD1 4.45Å; F27-F79 HydrophobicContact CB-CE1 4.42Å; F27-F79 HydrophobicContact CD2-CB 3.88Å; F27-F79 HydrophobicContact CD2-CD1 4.26Å; F27-F79 AromaticContact CD2-CD2 3.98Å; F27-F79 HydrophobicContact CD2-CD2 3.98Å; F27-F79 AromaticContact CD2-CG 3.8Å; F27-F79 HydrophobicContact CD2-CG 3.8Å; F27-F79 HydrophobicContact CE2-CB 4.22Å |
| 28 | N | 84.8 | Confident | 82.3 | Confident | 86 Ų | 86 | 54 Ų | 54 | 46% | 0.46 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.6 | -13.4 | 178.9 | -64.3 | -10.5 | 0 | 0 | 0 | 113.5 | Q24 A26 | Q24-N28 PolarHBondContact NE2-OD1 2.72Å; Q24-N28 WeakPolarHBondContact O-CB 3.47Å; Q24-N28 PolarHBondContact O-N 2.97Å; Q24-N28 PolarHBondContact O-ND2 3.34Å; Q24-N28 PolarHBondContact O-OD1 3.2Å; A26-N28 VanDerWaalsContact C-N 3.35Å; A26-N28 PolarHBondContact O-N 3.33Å |
| 29 | L | 80 | Confident | 83.4 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 7% | 0.068 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.3 | -41.5 | 170.4 | -173.6 | 63.4 | 0 | 0 | 0 | 111.7 | E25 A26 F27 K32 V46 L123 R175 | E25-L29 PolarHBondContact O-N 3.45Å; A26-L29 WeakPolarHBondContact O-CB 3.07Å; A26-L29 PolarHBondContact O-N 2.75Å; F27-L29 PolarHBondContact O-N 2.73Å; L29-K32 WeakPolarHBondContact O-CD 3.42Å; L29-K32 WeakPolarHBondContact O-CE 3.36Å; L29-K32 PolarHBondContact O-NZ 3.2Å; L29-V46 HydrophobicContact CD2-CG1 4.07Å; L29-L123 HydrophobicContact CD2-CD2 4.19Å; L29-R175 VanDerWaalsContact CD1-CZ 3.49Å; L29-R175 VanDerWaalsContact CG-NH2 3.31Å |
| 30 | F | 83.6 | Confident | 84.5 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -79.4 | -47.6 | -175.3 | -64.1 | -94.1 | 0 | 0 | 0 | 109.8 | A26 F27 K32 I38 E42 L43 V46 F79 L179 L182 | A26-F30 WeakPolarHBondContact O-CD2 3.46Å; F27-F30 PolarHBondContact O-N 3.31Å; F30-K32 VanDerWaalsContact C-N 3.34Å; F30-K32 WeakPolarHBondContact O-CG 3.13Å; F30-K32 PolarHBondContact O-N 3.2Å; F30-I38 HydrophobicContact CB-CB 4.34Å; F30-I38 HydrophobicContact CB-CD1 3.46Å; F30-I38 VanDerWaalsContact CB-CD1 3.46Å; F30-I38 HydrophobicContact CB-CG1 3.6Å; F30-I38 HydrophobicContact CB-CG2 3.79Å; F30-I38 HydrophobicContact CD2-CD1 4.14Å; F30-I38 HydrophobicContact CG-CD1 3.93Å; F30-E42 WeakPolarHBondContact O-CB 3.33Å; F30-L43 HydrophobicContact CD1-CD1 3.88Å; F30-L43 HydrophobicContact CE1-CD1 3.66Å; F30-V46 HydrophobicContact CD1-CB 3.93Å; F30-V46 HydrophobicContact CD1-CG1 4.13Å; F30-V46 HydrophobicContact CD1-CG2 3.79Å; F30-V46 HydrophobicContact CE1-CB 4.1Å; F30-V46 HydrophobicContact CE1-CG1 3.9Å; F30-V46 HydrophobicContact CE1-CG2 4.4Å; F30-V46 HydrophobicContact CG-CG2 4.3Å; F30-F79 HydrophobicContact CE2-CE2 4.32Å; F30-L179 HydrophobicContact CE1-CD2 3.25Å; F30-L179 HydrophobicContact CE1-CG 4.26Å; F30-L179 HydrophobicContact CE2-CD2 4.29Å; F30-L179 HydrophobicContact CE2-CG 4.49Å; F30-L179 HydrophobicContact CZ-CD2 3.11Å; F30-L179 HydrophobicContact CZ-CG 3.61Å; F30-L182 HydrophobicContact CE1-CD1 4.06Å; F30-L182 HydrophobicContact CE2-CD1 4.02Å; F30-L182 HydrophobicContact CZ-CD1 3.45Å; F30-L182 VanDerWaalsContact CZ-CD1 3.45Å |
| 31 | D | 89.1 | Confident | 85.4 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 6% | 0.059 | 28% | 0.28 | C | S | . | . | trans | -65.3 | 89.8 | 175.3 | -179.9 | 5.6 | 0 | 0 | 0 | 110 | F27 G34 D35 G36 I38 | F27-D31 HydrophobicContact CD1-CB 4.17Å; F27-D31 HydrophobicContact CE1-CB 3.84Å; F27-D31 PolarHBondContact O-N 2.86Å; F27-D31 VanDerWaalsContact O-N 3.08Å; D31-G34 VanDerWaalsContact CG-CA 3.49Å; D31-G34 WeakPolarHBondContact OD1-CA 3.28Å; D31-G34 PolarHBondContact OD1-N 3.37Å; D31-G34 WeakPolarHBondContact OD2-CA 3.45Å; D31-D35 PolarHBondContact OD1-N 2.89Å; D31-D35 PolarHBondContact OD2-N 3.48Å; D31-G36 VanDerWaalsContact OD2-CA 3.31Å; D31-G36 WeakPolarHBondContact OD2-CA 3.15Å; D31-G36 PolarHBondContact OD2-N 3.21Å; D31-I38 HydrophobicContact CB-CG1 4.46Å | ||
| 32 | K | 85.3 | Confident | 86.1 | Confident | 116 Ų | 116 | 49.3 Ų | 49.3 | 50% | 0.504 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -79.2 | -29.3 | -172 | -71.1 | -48.8 | -172.9 | -169.1 | 0 | 111.7 | L29 F30 E42 | L29-K32 WeakPolarHBondContact O-CD 3.42Å; L29-K32 WeakPolarHBondContact O-CE 3.36Å; L29-K32 PolarHBondContact O-NZ 3.2Å; F30-K32 VanDerWaalsContact C-N 3.34Å; F30-K32 WeakPolarHBondContact O-CG 3.13Å; F30-K32 PolarHBondContact O-N 3.2Å; K32-E42 HydrophobicContact CB-CG 4.3Å; K32-E42 HydrophobicContact CG-CG 4.3Å; K32-E42 PolarHBondContact N-OE1 2.79Å |
| 33 | D | 90.8 | Very high | 86.9 | Confident | 112 Ų | 112 | 45.2 Ų | 45.2 | 60% | 0.599 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -95.5 | -10.9 | 179.1 | 70.5 | 14.9 | 0 | 0 | 0 | 113.5 | D35 | D33-D35 VanDerWaalsContact OD1-CB 3.25Å; D33-D35 WeakPolarHBondContact OD1-CB 3.38Å; D33-D35 PolarHBondContact OD1-N 3.13Å; D33-D35 VanDerWaalsContact OD1-N 3.08Å |
| 34 | G | 91.4 | Very high | 87.5 | Confident | 59 Ų | 59 | 44.7 Ų | 44.7 | 61% | 0.608 | 25% | 0.245 | S | C | * | . | trans | 76.4 | 24.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D31 G36 | D31-G34 VanDerWaalsContact CG-CA 3.49Å; D31-G34 WeakPolarHBondContact OD1-CA 3.28Å; D31-G34 PolarHBondContact OD1-N 3.37Å; D31-G34 WeakPolarHBondContact OD2-CA 3.45Å; G34-G36 VanDerWaalsContact C-N 3.28Å | ||
| 35 | D | 92.9 | Very high | 87.7 | Confident | 80 Ų | 80 | 45.1 Ų | 45.1 | 43% | 0.428 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -83.1 | -5.1 | -177.3 | 82.4 | -5.2 | 0 | 0 | 0 | 113.8 | D31 D33 K37 | D31-D35 PolarHBondContact OD1-N 2.89Å; D31-D35 PolarHBondContact OD2-N 3.48Å; D33-D35 VanDerWaalsContact OD1-CB 3.25Å; D33-D35 WeakPolarHBondContact OD1-CB 3.38Å; D33-D35 PolarHBondContact OD1-N 3.13Å; D33-D35 VanDerWaalsContact OD1-N 3.08Å; D35-K37 WeakPolarHBondContact OD1-CG 3.11Å; D35-K37 PolarHBondContact OD1-N 3.11Å; D35-K37 VanDerWaalsContact OD1-N 3.13Å; D35-K37 WeakPolarHBondContact OD2-CE 3.36Å; D35-K37 IonicContact OD2-NZ 2.9Å |
| 36 | G | 92.2 | Very high | 87.9 | Confident | 36 Ų | 36 | 39.9 Ų | 39.9 | 37% | 0.371 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 91.8 | 11.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F27 D31 G34 | F27-G36 VanDerWaalsContact CZ-O 3.27Å; F27-G36 WeakPolarHBondContact CZ-O 3.12Å; D31-G36 VanDerWaalsContact OD2-CA 3.31Å; D31-G36 WeakPolarHBondContact OD2-CA 3.15Å; D31-G36 PolarHBondContact OD2-N 3.21Å; G34-G36 VanDerWaalsContact C-N 3.28Å |
| 37 | K | 93.4 | Very high | 88.1 | Confident | 76 Ų | 76 | 40 Ų | 40 | 33% | 0.33 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 155 | 176.1 | 52.6 | 177.6 | -176.8 | 172.2 | 0 | 110.2 | D35 T73 I74 | D35-K37 WeakPolarHBondContact OD1-CG 3.11Å; D35-K37 PolarHBondContact OD1-N 3.11Å; D35-K37 VanDerWaalsContact OD1-N 3.13Å; D35-K37 WeakPolarHBondContact OD2-CE 3.36Å; D35-K37 IonicContact OD2-NZ 2.9Å; K37-T73 HydrophobicContact CD-CG2 3.98Å; K37-T73 WeakPolarHBondContact CD-OG1 3.44Å; K37-I74 CarbonylContact C-O 3.59Å; K37-I74 WeakPolarHBondContact CA-O 3.07Å |
| 38 | I | 90.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 118.1 | 177.6 | -58.7 | 164 | 0 | 0 | 0 | 108.6 | F27 F30 D31 E42 L43 T73 I74 F79 | F27-I38 HydrophobicContact CD2-CD1 3.48Å; F27-I38 VanDerWaalsContact CD2-CD1 3.48Å; F27-I38 HydrophobicContact CD2-CG1 4.09Å; F27-I38 HydrophobicContact CE1-CG1 4.45Å; F27-I38 HydrophobicContact CE2-CD1 3.47Å; F27-I38 VanDerWaalsContact CE2-CD1 3.47Å; F27-I38 HydrophobicContact CE2-CG1 3.65Å; F27-I38 HydrophobicContact CG-CD1 4.2Å; F27-I38 HydrophobicContact CZ-CD1 4.17Å; F27-I38 HydrophobicContact CZ-CG1 3.85Å; F30-I38 HydrophobicContact CB-CB 4.34Å; F30-I38 HydrophobicContact CB-CD1 3.46Å; F30-I38 VanDerWaalsContact CB-CD1 3.46Å; F30-I38 HydrophobicContact CB-CG1 3.6Å; F30-I38 HydrophobicContact CB-CG2 3.79Å; F30-I38 HydrophobicContact CD2-CD1 4.14Å; F30-I38 HydrophobicContact CG-CD1 3.93Å; D31-I38 HydrophobicContact CB-CG1 4.46Å; I38-E42 HydrophobicContact CG2-CB 4.22Å; I38-L43 HydrophobicContact CG2-CB 4.21Å; I38-T73 CarbonylContact O-C 3.6Å; I38-T73 WeakPolarHBondContact O-CA 3.34Å; I38-I74 HydrophobicContact CB-CB 4.22Å; I38-I74 PolarHBondContact N-O 3.08Å; I38-I74 PolarHBondContact O-N 3.13Å; I38-F79 HydrophobicContact CD1-CD2 4.09Å; I38-F79 HydrophobicContact CD1-CE2 4.31Å |
| 39 | T | 93 | Very high | 87.8 | Confident | 27 Ų | 27 | 42.7 Ų | 42.7 | 17% | 0.166 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 159.3 | 172.9 | 62.3 | 0 | 0 | 0 | 0 | 111.7 | Q41 E42 L43 T73 | T39-Q41 PolarHBondContact O-N 3.04Å; T39-E42 WeakPolarHBondContact CB-OE2 3.27Å; T39-E42 PolarHBondContact N-OE2 3.47Å; T39-E42 PolarHBondContact O-N 3.18Å; T39-E42 VanDerWaalsContact O-N 3.16Å; T39-E42 WeakPolarHBondContact OG1-CB 3.38Å; T39-E42 VanDerWaalsContact OG1-CG 3.28Å; T39-E42 WeakPolarHBondContact OG1-CG 3.33Å; T39-E42 PolarHBondContact OG1-N 2.93Å; T39-E42 PolarHBondContact OG1-OE2 2.94Å; T39-L43 PolarHBondContact O-N 3.28Å; T39-T73 HydrophobicContact CG2-CG2 3.98Å |
| 40 | S | 91.7 | Very high | 87.4 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.3 | -31.2 | 172.4 | 72.4 | 0 | 0 | 0 | 0 | 111.9 | G44 | S40-G44 PolarHBondContact O-N 3.45Å |
| 41 | Q | 91.9 | Very high | 87 | Confident | 110 Ų | 110 | 45.5 Ų | 45.5 | 51% | 0.514 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68 | -44.6 | 177 | -65.4 | 84.3 | 22.7 | 0 | 0 | 111.8 | T39 G44 V45 | T39-Q41 PolarHBondContact O-N 3.04Å; Q41-G44 PolarHBondContact O-N 2.93Å; Q41-V45 WeakPolarHBondContact O-CG2 3.3Å; Q41-V45 PolarHBondContact O-N 2.94Å |
| 42 | E | 90.6 | Very high | 86.4 | Confident | 14 Ų | 14 | 49.5 Ų | 49.5 | 7% | 0.065 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 177.5 | -79.7 | 169.6 | 132.6 | 0 | 0 | 112.3 | F30 K32 I38 T39 G44 V45 V46 | F30-E42 WeakPolarHBondContact O-CB 3.33Å; K32-E42 HydrophobicContact CB-CG 4.3Å; K32-E42 HydrophobicContact CG-CG 4.3Å; K32-E42 PolarHBondContact N-OE1 2.79Å; I38-E42 HydrophobicContact CG2-CB 4.22Å; T39-E42 WeakPolarHBondContact CB-OE2 3.27Å; T39-E42 PolarHBondContact N-OE2 3.47Å; T39-E42 PolarHBondContact O-N 3.18Å; T39-E42 VanDerWaalsContact O-N 3.16Å; T39-E42 WeakPolarHBondContact OG1-CB 3.38Å; T39-E42 VanDerWaalsContact OG1-CG 3.28Å; T39-E42 WeakPolarHBondContact OG1-CG 3.33Å; T39-E42 PolarHBondContact OG1-N 2.93Å; T39-E42 PolarHBondContact OG1-OE2 2.94Å; E42-G44 VanDerWaalsContact C-N 3.25Å; E42-G44 PolarHBondContact O-N 2.93Å; E42-V45 WeakPolarHBondContact O-CB 3.15Å; E42-V45 PolarHBondContact O-N 3.28Å; E42-V45 VanDerWaalsContact O-N 3.1Å; E42-V46 PolarHBondContact O-N 3.18Å; E42-V46 VanDerWaalsContact O-N 3.16Å |
| 43 | L | 87.4 | Confident | 86.4 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.8 | -45.5 | 171.5 | -174.9 | 54.2 | 0 | 0 | 0 | 110.9 | F30 I38 T39 V45 V46 M47 L59 M62 V63 | F30-L43 HydrophobicContact CD1-CD1 3.88Å; F30-L43 HydrophobicContact CE1-CD1 3.66Å; I38-L43 HydrophobicContact CG2-CB 4.21Å; T39-L43 PolarHBondContact O-N 3.28Å; L43-V45 PolarHBondContact O-N 3.46Å; L43-V46 PolarHBondContact O-N 3.33Å; L43-M47 HydrophobicContact CD1-CG 4.48Å; L43-M47 HydrophobicContact CG-SD 4.37Å; L43-M47 WeakPolarHBondContact O-CG 3.16Å; L43-M47 PolarHBondContact O-N 2.85Å; L43-L59 HydrophobicContact CB-CD2 4.4Å; L43-L59 HydrophobicContact CD2-CD2 4.47Å; L43-L59 HydrophobicContact CG-CD2 4.07Å; L43-M62 HydrophobicContact CD1-CE 4.25Å; L43-M62 HydrophobicContact CD2-CB 4.17Å; L43-M62 HydrophobicContact CD2-CE 3.72Å; L43-M62 HydrophobicContact CG-CE 4.08Å; L43-V63 HydrophobicContact CD2-CG2 3.9Å |
| 44 | G | 87.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.3 | -36.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S40 Q41 E42 R48 L59 | S40-G44 PolarHBondContact O-N 3.45Å; Q41-G44 PolarHBondContact O-N 2.93Å; E42-G44 VanDerWaalsContact C-N 3.25Å; E42-G44 PolarHBondContact O-N 2.93Å; G44-R48 VanDerWaalsContact C-CZ 3.5Å; G44-R48 VanDerWaalsContact C-NH2 3.28Å; G44-R48 VanDerWaalsContact O-CB 3.3Å; G44-R48 WeakPolarHBondContact O-CB 3.41Å; G44-R48 VanDerWaalsContact O-CG 3.26Å; G44-R48 WeakPolarHBondContact O-CG 3.32Å; G44-R48 VanDerWaalsContact O-CZ 3.26Å; G44-R48 PolarHBondContact O-N 2.91Å; G44-R48 PolarHBondContact O-NE 3.37Å; G44-R48 PolarHBondContact O-NH2 2.82Å; G44-L59 VanDerWaalsContact CA-CD1 3.49Å |
| 45 | V | 87 | Confident | 86.1 | Confident | 74 Ų | 74 | 51 Ų | 51 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 175.3 | 170 | 0 | 0 | 0 | 0 | 110.3 | Q41 E42 L43 R48 S49 | Q41-V45 WeakPolarHBondContact O-CG2 3.3Å; Q41-V45 PolarHBondContact O-N 2.94Å; E42-V45 WeakPolarHBondContact O-CB 3.15Å; E42-V45 PolarHBondContact O-N 3.28Å; E42-V45 VanDerWaalsContact O-N 3.1Å; L43-V45 PolarHBondContact O-N 3.46Å; V45-R48 PolarHBondContact O-N 3.02Å; V45-S49 PolarHBondContact O-N 3.42Å |
| 46 | V | 82.7 | Confident | 86 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.7 | -45.3 | -180 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | L29 F30 E42 L43 R48 S49 L50 L179 | L29-V46 HydrophobicContact CD2-CG1 4.07Å; F30-V46 HydrophobicContact CD1-CB 3.93Å; F30-V46 HydrophobicContact CD1-CG1 4.13Å; F30-V46 HydrophobicContact CD1-CG2 3.79Å; F30-V46 HydrophobicContact CE1-CB 4.1Å; F30-V46 HydrophobicContact CE1-CG1 3.9Å; F30-V46 HydrophobicContact CE1-CG2 4.4Å; F30-V46 HydrophobicContact CG-CG2 4.3Å; E42-V46 PolarHBondContact O-N 3.18Å; E42-V46 VanDerWaalsContact O-N 3.16Å; L43-V46 PolarHBondContact O-N 3.33Å; V46-R48 VanDerWaalsContact C-N 3.3Å; V46-R48 PolarHBondContact O-N 3.07Å; V46-S49 PolarHBondContact O-N 3.28Å; V46-S49 VanDerWaalsContact O-N 3.13Å; V46-S49 PolarHBondContact O-OG 3.25Å; V46-L50 HydrophobicContact CG1-CD1 4.22Å; V46-L50 WeakPolarHBondContact O-CG 3.4Å; V46-L50 PolarHBondContact O-N 3.37Å; V46-L50 VanDerWaalsContact O-N 3.1Å; V46-L179 HydrophobicContact CG1-CD1 4.43Å; V46-L179 HydrophobicContact CG1-CD2 3.65Å |
| 47 | M | 80.5 | Confident | 86 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 177.2 | -74.8 | -172.4 | 72.3 | 0 | 0 | 112.2 | L43 S49 L50 G51 Q52 P54 L59 M62 I183 | L43-M47 HydrophobicContact CD1-CG 4.48Å; L43-M47 HydrophobicContact CG-SD 4.37Å; L43-M47 WeakPolarHBondContact O-CG 3.16Å; L43-M47 PolarHBondContact O-N 2.85Å; M47-S49 VanDerWaalsContact C-N 3.33Å; M47-S49 PolarHBondContact O-N 2.86Å; M47-L50 WeakPolarHBondContact O-CB 3.22Å; M47-L50 PolarHBondContact O-N 2.97Å; M47-G51 PolarHBondContact O-N 3.3Å; M47-Q52 HydrophobicContact CB-CB 4.21Å; M47-Q52 HydrophobicContact CE-CB 4.12Å; M47-Q52 VanDerWaalsContact O-CB 3.31Å; M47-Q52 WeakPolarHBondContact O-CB 3.28Å; M47-Q52 PolarHBondContact O-N 3.09Å; M47-P54 HydrophobicContact CB-CG 3.78Å; M47-P54 HydrophobicContact CE-CB 3.72Å; M47-P54 HydrophobicContact CE-CG 3.72Å; M47-P54 HydrophobicContact CG-CG 4.4Å; M47-P54 HydrophobicContact SD-CB 4.05Å; M47-P54 HydrophobicContact SD-CG 3.72Å; M47-L59 HydrophobicContact SD-CD2 3.54Å; M47-L59 VanDerWaalsContact SD-CD2 3.54Å; M47-M62 HydrophobicContact CE-CE 4.18Å; M47-M62 HydrophobicContact CE-SD 4.08Å; M47-M62 HydrophobicContact SD-CE 3.42Å; M47-M62 WeakPolarHBondContact SD-CE 3.36Å; M47-M62 HydrophobicContact SD-SD 3.78Å; M47-I183 HydrophobicContact CE-CB 4.37Å; M47-I183 HydrophobicContact CE-CD1 3.82Å; M47-I183 HydrophobicContact CE-CG1 3.6Å; M47-I183 HydrophobicContact CE-CG2 3.82Å; M47-I183 HydrophobicContact CG-CD1 4.17Å; M47-I183 HydrophobicContact CG-CG1 4.26Å; M47-I183 HydrophobicContact SD-CD1 4.39Å; M47-I183 HydrophobicContact SD-CG1 3.94Å |
| 48 | R | 84.6 | Confident | 85.7 | Confident | 107 Ų | 107 | 52.9 Ų | 52.9 | 40% | 0.404 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.7 | -33.8 | 177.5 | -73.9 | -179.8 | -72 | -106.8 | 2.5 | 112.7 | G44 V45 V46 L50 G51 Q52 E56 | G44-R48 VanDerWaalsContact C-CZ 3.5Å; G44-R48 VanDerWaalsContact C-NH2 3.28Å; G44-R48 VanDerWaalsContact O-CB 3.3Å; G44-R48 WeakPolarHBondContact O-CB 3.41Å; G44-R48 VanDerWaalsContact O-CG 3.26Å; G44-R48 WeakPolarHBondContact O-CG 3.32Å; G44-R48 VanDerWaalsContact O-CZ 3.26Å; G44-R48 PolarHBondContact O-N 2.91Å; G44-R48 PolarHBondContact O-NE 3.37Å; G44-R48 PolarHBondContact O-NH2 2.82Å; V45-R48 PolarHBondContact O-N 3.02Å; V46-R48 VanDerWaalsContact C-N 3.3Å; V46-R48 PolarHBondContact O-N 3.07Å; R48-L50 VanDerWaalsContact C-N 3.25Å; R48-L50 PolarHBondContact O-N 3.24Å; R48-G51 PolarHBondContact O-N 3.36Å; R48-Q52 WeakPolarHBondContact CA-O 2.94Å; R48-E56 IonicContact NH1-OE1 3.56Å |
| 49 | S | 78.4 | Confident | 85.7 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 26% | 0.259 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.4 | -26.6 | 175.2 | 80.6 | 0 | 0 | 0 | 0 | 112.4 | V45 V46 M47 G51 N122 | V45-S49 PolarHBondContact O-N 3.42Å; V46-S49 PolarHBondContact O-N 3.28Å; V46-S49 VanDerWaalsContact O-N 3.13Å; V46-S49 PolarHBondContact O-OG 3.25Å; M47-S49 VanDerWaalsContact C-N 3.33Å; M47-S49 PolarHBondContact O-N 2.86Å; S49-G51 PolarHBondContact O-N 3.25Å; S49-N122 WeakPolarHBondContact CB-O 3.39Å; S49-N122 WeakPolarHBondContact O-CB 3.47Å; S49-N122 PolarHBondContact OG-O 3.38Å |
| 50 | L | 70.5 | Confident | 85.5 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -1 | 172.8 | -64.3 | 170.1 | 0 | 0 | 0 | 114.3 | V46 M47 R48 V102 L123 L176 L179 | V46-L50 HydrophobicContact CG1-CD1 4.22Å; V46-L50 WeakPolarHBondContact O-CG 3.4Å; V46-L50 PolarHBondContact O-N 3.37Å; V46-L50 VanDerWaalsContact O-N 3.1Å; M47-L50 WeakPolarHBondContact O-CB 3.22Å; M47-L50 PolarHBondContact O-N 2.97Å; R48-L50 VanDerWaalsContact C-N 3.25Å; R48-L50 PolarHBondContact O-N 3.24Å; L50-V102 HydrophobicContact CD2-CG1 4.38Å; L50-L123 HydrophobicContact CD2-CD2 3.5Å; L50-L123 HydrophobicContact CD2-CG 4.13Å; L50-L123 HydrophobicContact CG-CD2 4.26Å; L50-L176 HydrophobicContact CD1-CD2 4.29Å; L50-L176 HydrophobicContact CD2-CD2 3.46Å; L50-L176 VanDerWaalsContact CD2-CD2 3.46Å; L50-L176 HydrophobicContact CG-CD2 4.48Å; L50-L179 HydrophobicContact CD1-CB 4.25Å; L50-L179 HydrophobicContact CD1-CD1 3.52Å; L50-L179 HydrophobicContact CD1-CD2 3.66Å; L50-L179 HydrophobicContact CD1-CG 4.02Å |
| 51 | G | 75.8 | Confident | 85.2 | Confident | 57 Ų | 57 | 60.4 Ų | 60.4 | 59% | 0.588 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | 0.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | M47 R48 S49 | M47-G51 PolarHBondContact O-N 3.3Å; R48-G51 PolarHBondContact O-N 3.36Å; S49-G51 PolarHBondContact O-N 3.25Å |
| 52 | Q | 77.2 | Confident | 84.8 | Confident | 96 Ų | 96 | 56 Ų | 56 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | trans | -74.2 | 156.3 | 172.1 | -59.9 | -62.4 | -22.8 | 0 | 0 | 110.6 | M47 R48 P54 | M47-Q52 HydrophobicContact CB-CB 4.21Å; M47-Q52 HydrophobicContact CE-CB 4.12Å; M47-Q52 VanDerWaalsContact O-CB 3.31Å; M47-Q52 WeakPolarHBondContact O-CB 3.28Å; M47-Q52 PolarHBondContact O-N 3.09Å; R48-Q52 WeakPolarHBondContact CA-O 2.94Å; Q52-P54 VanDerWaalsContact C-CD 3.45Å | ||
| 53 | R | 85.2 | Confident | 84.7 | Confident | 228 Ų | 228 | 55.4 Ų | 55.4 | 86% | 0.86 | 28% | 0.28 | S | S | * | . | trans | -130.4 | 62 | 178.1 | -64.5 | -166.2 | -179.2 | -138.6 | 0.9 | 111.7 | ||||
| 54 | P | 84.8 | Confident | 84.6 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 10% | 0.104 | 30% | 0.304 | C | S | . | . | trans | -67.6 | 143.9 | 179.3 | 33.7 | -38.6 | 0 | 0 | 0 | 110.3 | M47 Q52 E58 L59 | M47-P54 HydrophobicContact CB-CG 3.78Å; M47-P54 HydrophobicContact CE-CB 3.72Å; M47-P54 HydrophobicContact CE-CG 3.72Å; M47-P54 HydrophobicContact CG-CG 4.4Å; M47-P54 HydrophobicContact SD-CB 4.05Å; M47-P54 HydrophobicContact SD-CG 3.72Å; Q52-P54 VanDerWaalsContact C-CD 3.45Å; P54-E58 WeakPolarHBondContact CA-OE2 3.26Å; P54-E58 HydrophobicContact CB-CB 4.42Å; P54-L59 HydrophobicContact CB-CD2 3.87Å; P54-L59 HydrophobicContact CB-CG 3.92Å; P54-L59 HydrophobicContact CG-CD1 4.21Å; P54-L59 HydrophobicContact CG-CD2 3.63Å; P54-L59 HydrophobicContact CG-CG 3.94Å | ||
| 55 | T | 90.8 | Very high | 84.4 | Confident | 73 Ų | 73 | 67.2 Ų | 67.2 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | trans | -74.1 | 157.4 | 167.1 | 65.9 | 0 | 0 | 0 | 0 | 110 | S57 E58 L59 | T55-S57 PolarHBondContact O-N 2.66Å; T55-S57 VanDerWaalsContact O-N 3.13Å; T55-E58 WeakPolarHBondContact CB-OE2 3.03Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.35Å; T55-E58 PolarHBondContact N-OE2 3.46Å; T55-E58 PolarHBondContact O-N 2.9Å; T55-E58 VanDerWaalsContact OG1-CD 3.28Å; T55-E58 WeakPolarHBondContact OG1-CG 3.03Å; T55-E58 PolarHBondContact OG1-N 3.29Å; T55-E58 PolarHBondContact OG1-OE2 3.37Å; T55-L59 WeakPolarHBondContact O-CG 3.28Å; T55-L59 PolarHBondContact O-N 2.83Å | ||
| 56 | E | 91.3 | Very high | 84.1 | Confident | 79 Ų | 79 | 64.5 Ų | 64.5 | 37% | 0.369 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.9 | -20.4 | 174.4 | -64 | -63.5 | 131.8 | 0 | 0 | 112.7 | R48 R60 | R48-E56 IonicContact NH1-OE1 3.56Å; E56-R60 WeakPolarHBondContact O-CG 3.46Å; E56-R60 PolarHBondContact O-N 3.13Å; E56-R60 PolarHBondContact O-NH1 2.77Å |
| 57 | S | 91.2 | Very high | 84.4 | Confident | 55 Ų | 55 | 65.1 Ų | 65.1 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -73.3 | -53.1 | 172.8 | -158.4 | 0 | 0 | 0 | 0 | 110.7 | T55 L59 R60 D61 | T55-S57 PolarHBondContact O-N 2.66Å; T55-S57 VanDerWaalsContact O-N 3.13Å; S57-L59 PolarHBondContact O-N 3.28Å; S57-R60 PolarHBondContact O-N 3.45Å; S57-D61 PolarHBondContact O-N 3.41Å; S57-D61 VanDerWaalsContact O-OD2 3.12Å; S57-D61 PolarHBondContact OG-OD2 3.44Å |
| 58 | E | 87.9 | Confident | 84.8 | Confident | 98 Ų | 98 | 70 Ų | 70 | 46% | 0.458 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.2 | -41.8 | 177.7 | -70.2 | 157.9 | 156.3 | 0 | 0 | 110.9 | P54 T55 R60 D61 M62 | P54-E58 WeakPolarHBondContact CA-OE2 3.26Å; P54-E58 HydrophobicContact CB-CB 4.42Å; T55-E58 WeakPolarHBondContact CB-OE2 3.03Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.35Å; T55-E58 PolarHBondContact N-OE2 3.46Å; T55-E58 PolarHBondContact O-N 2.9Å; T55-E58 VanDerWaalsContact OG1-CD 3.28Å; T55-E58 WeakPolarHBondContact OG1-CG 3.03Å; T55-E58 PolarHBondContact OG1-N 3.29Å; T55-E58 PolarHBondContact OG1-OE2 3.37Å; E58-R60 PolarHBondContact O-N 3.48Å; E58-D61 PolarHBondContact O-N 3.38Å; E58-M62 WeakPolarHBondContact O-CB 3.39Å; E58-M62 WeakPolarHBondContact O-CG 3.33Å; E58-M62 PolarHBondContact O-N 2.83Å |
| 59 | L | 88.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62 | -40 | 175.9 | -68.4 | 173.3 | 0 | 0 | 0 | 113.4 | L43 G44 M47 P54 T55 S57 V63 | L43-L59 HydrophobicContact CB-CD2 4.4Å; L43-L59 HydrophobicContact CD2-CD2 4.47Å; L43-L59 HydrophobicContact CG-CD2 4.07Å; G44-L59 VanDerWaalsContact CA-CD1 3.49Å; M47-L59 HydrophobicContact SD-CD2 3.54Å; M47-L59 VanDerWaalsContact SD-CD2 3.54Å; P54-L59 HydrophobicContact CB-CD2 3.87Å; P54-L59 HydrophobicContact CB-CG 3.92Å; P54-L59 HydrophobicContact CG-CD1 4.21Å; P54-L59 HydrophobicContact CG-CD2 3.63Å; P54-L59 HydrophobicContact CG-CG 3.94Å; T55-L59 WeakPolarHBondContact O-CG 3.28Å; T55-L59 PolarHBondContact O-N 2.83Å; S57-L59 PolarHBondContact O-N 3.28Å; L59-V63 WeakPolarHBondContact O-CG2 3.45Å; L59-V63 PolarHBondContact O-N 3.39Å; L59-V63 VanDerWaalsContact O-N 3.16Å |
| 60 | R | 89.2 | Confident | 85.7 | Confident | 117 Ų | 117 | 70.8 Ų | 70.8 | 44% | 0.442 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.4 | -40.7 | 176.2 | -77.3 | -173.1 | -57.9 | -86.7 | -3.4 | 111.2 | E56 S57 E58 M62 V63 N64 | E56-R60 WeakPolarHBondContact O-CG 3.46Å; E56-R60 PolarHBondContact O-N 3.13Å; E56-R60 PolarHBondContact O-NH1 2.77Å; S57-R60 PolarHBondContact O-N 3.45Å; E58-R60 PolarHBondContact O-N 3.48Å; R60-M62 VanDerWaalsContact C-N 3.33Å; R60-V63 PolarHBondContact O-N 3.38Å; R60-N64 WeakPolarHBondContact O-CB 3.26Å; R60-N64 PolarHBondContact O-N 3.26Å; R60-N64 PolarHBondContact O-ND2 2.76Å; R60-N64 VanDerWaalsContact O-ND2 3.1Å |
| 61 | D | 86.8 | Confident | 86.7 | Confident | 82 Ų | 82 | 73.7 Ų | 73.7 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 179.9 | -62.5 | -29.1 | 0 | 0 | 0 | 109.5 | S57 E58 V63 N64 E65 | S57-D61 PolarHBondContact O-N 3.41Å; S57-D61 VanDerWaalsContact O-OD2 3.12Å; S57-D61 PolarHBondContact OG-OD2 3.44Å; E58-D61 PolarHBondContact O-N 3.38Å; D61-V63 PolarHBondContact O-N 2.89Å; D61-N64 PolarHBondContact O-N 2.78Å; D61-E65 WeakPolarHBondContact O-CG 3.13Å; D61-E65 PolarHBondContact O-N 3.41Å |
| 62 | M | 83.4 | Confident | 87.5 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 9% | 0.089 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.6 | -42.5 | 173.1 | -70.8 | 168.1 | 53.1 | 0 | 0 | 113.5 | L43 M47 E58 R60 I183 | L43-M62 HydrophobicContact CD1-CE 4.25Å; L43-M62 HydrophobicContact CD2-CB 4.17Å; L43-M62 HydrophobicContact CD2-CE 3.72Å; L43-M62 HydrophobicContact CG-CE 4.08Å; M47-M62 HydrophobicContact CE-CE 4.18Å; M47-M62 HydrophobicContact CE-SD 4.08Å; M47-M62 HydrophobicContact SD-CE 3.42Å; M47-M62 WeakPolarHBondContact SD-CE 3.36Å; M47-M62 HydrophobicContact SD-SD 3.78Å; E58-M62 WeakPolarHBondContact O-CB 3.39Å; E58-M62 WeakPolarHBondContact O-CG 3.33Å; E58-M62 PolarHBondContact O-N 2.83Å; R60-M62 VanDerWaalsContact C-N 3.33Å; M62-I183 HydrophobicContact CE-CB 4.1Å; M62-I183 HydrophobicContact CE-CG1 3.71Å; M62-I183 HydrophobicContact SD-CG2 4.48Å |
| 63 | V | 87 | Confident | 88.2 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65 | -47.7 | 175.6 | 168.7 | 0 | 0 | 0 | 0 | 110.5 | L43 L59 R60 D61 E65 V66 D67 I74 | L43-V63 HydrophobicContact CD2-CG2 3.9Å; L59-V63 WeakPolarHBondContact O-CG2 3.45Å; L59-V63 PolarHBondContact O-N 3.39Å; L59-V63 VanDerWaalsContact O-N 3.16Å; R60-V63 PolarHBondContact O-N 3.38Å; D61-V63 PolarHBondContact O-N 2.89Å; V63-E65 PolarHBondContact O-N 2.93Å; V63-V66 PolarHBondContact O-N 3.26Å; V63-D67 HydrophobicContact CG1-CB 4.32Å; V63-D67 VanDerWaalsContact O-CB 3.23Å; V63-D67 WeakPolarHBondContact O-CB 2.98Å; V63-D67 PolarHBondContact O-N 2.77Å; V63-I74 HydrophobicContact CB-CG1 4.42Å; V63-I74 HydrophobicContact CG1-CG1 4.07Å; V63-I74 HydrophobicContact CG2-CD1 4.18Å; V63-I74 HydrophobicContact CG2-CG1 4.27Å |
| 64 | N | 86.6 | Confident | 88.5 | Confident | 94 Ų | 94 | 57.8 Ų | 57.8 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.8 | -23.6 | -178.1 | -67.6 | -26.5 | 0 | 0 | 0 | 113.7 | R60 D61 V66 | R60-N64 WeakPolarHBondContact O-CB 3.26Å; R60-N64 PolarHBondContact O-N 3.26Å; R60-N64 PolarHBondContact O-ND2 2.76Å; R60-N64 VanDerWaalsContact O-ND2 3.1Å; D61-N64 PolarHBondContact O-N 2.78Å; N64-V66 PolarHBondContact O-N 3.5Å |
| 65 | E | 82.9 | Confident | 88.8 | Confident | 156 Ų | 156 | 59.4 Ų | 59.4 | 73% | 0.729 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -68.3 | -25.1 | 174.7 | -78.8 | -173.2 | -178.5 | 0 | 0 | 113 | D61 V63 | D61-E65 WeakPolarHBondContact O-CG 3.13Å; D61-E65 PolarHBondContact O-N 3.41Å; V63-E65 PolarHBondContact O-N 2.93Å |
| 66 | V | 81.3 | Confident | 88.7 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -110 | -31.2 | -174 | -175.8 | 0 | 0 | 0 | 0 | 112.2 | V63 N64 E68 I74 E78 M82 | V63-V66 PolarHBondContact O-N 3.26Å; N64-V66 PolarHBondContact O-N 3.5Å; V66-E68 PolarHBondContact O-N 2.98Å; V66-I74 HydrophobicContact CB-CD1 4.39Å; V66-I74 HydrophobicContact CB-CG1 4.4Å; V66-I74 HydrophobicContact CG1-CG2 3.85Å; V66-E78 HydrophobicContact CG1-CB 4.08Å; V66-M82 HydrophobicContact CG1-CB 3.79Å; V66-M82 HydrophobicContact CG1-CG 4.39Å; V66-M82 HydrophobicContact CG1-SD 4.36Å; V66-M82 HydrophobicContact CG2-CB 4.24Å; V66-M82 HydrophobicContact CG2-CG 3.94Å; V66-M82 HydrophobicContact CG2-SD 3.51Å; V66-M82 VanDerWaalsContact CG2-SD 3.51Å |
| 67 | D | 89.1 | Confident | 88.6 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 8% | 0.08 | 30% | 0.301 | C | S | . | . | trans | -63.9 | 95.7 | 177.6 | 177.8 | 9.7 | 0 | 0 | 0 | 111 | V63 D69 G70 N71 G72 | V63-D67 HydrophobicContact CG1-CB 4.32Å; V63-D67 VanDerWaalsContact O-CB 3.23Å; V63-D67 WeakPolarHBondContact O-CB 2.98Å; V63-D67 PolarHBondContact O-N 2.77Å; D67-D69 PolarHBondContact OD1-N 3.3Å; D67-D69 VanDerWaalsContact OD1-OD1 3.12Å; D67-G70 VanDerWaalsContact OD1-CA 3.25Å; D67-G70 WeakPolarHBondContact OD1-CA 3.49Å; D67-G70 PolarHBondContact OD1-N 2.83Å; D67-G70 VanDerWaalsContact OD2-CA 3.27Å; D67-G70 WeakPolarHBondContact OD2-CA 3.3Å; D67-N71 PolarHBondContact OD1-N 3.13Å; D67-N71 VanDerWaalsContact OD1-N 3.12Å; D67-N71 PolarHBondContact OD2-N 2.85Å; D67-N71 VanDerWaalsContact OD2-N 3.13Å; D67-G72 VanDerWaalsContact OD2-CA 3.29Å; D67-G72 WeakPolarHBondContact OD2-CA 3.4Å; D67-G72 PolarHBondContact OD2-N 3.07Å | ||
| 68 | E | 87.5 | Confident | 88.4 | Confident | 108 Ų | 108 | 53.2 Ų | 53.2 | 51% | 0.505 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -75.2 | -29.6 | -177.7 | -68.1 | -159.3 | 128.2 | 0 | 0 | 111.7 | V66 E78 Q81 R85 | V66-E68 PolarHBondContact O-N 2.98Å; E68-E78 PolarHBondContact N-OE1 2.9Å; E68-Q81 VanDerWaalsContact CD-OE1 3.31Å; E68-Q81 PolarHBondContact OE1-NE2 3.33Å; E68-Q81 PolarHBondContact OE1-OE1 3.26Å; E68-Q81 PolarHBondContact OE2-NE2 3.2Å; E68-R85 IonicContact OE1-NH2 2.66Å |
| 69 | D | 91.1 | Very high | 88.2 | Confident | 101 Ų | 101 | 48.5 Ų | 48.5 | 54% | 0.54 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -93.1 | -14.3 | -176.9 | 88.7 | -0.8 | 0 | 0 | 0 | 113.8 | D67 N71 E78 | D67-D69 PolarHBondContact OD1-N 3.3Å; D67-D69 VanDerWaalsContact OD1-OD1 3.12Å; D69-N71 VanDerWaalsContact CG-ND2 3.31Å; D69-N71 WeakPolarHBondContact OD1-CB 3.07Å; D69-N71 PolarHBondContact OD1-N 2.96Å; D69-N71 PolarHBondContact OD1-ND2 3.36Å; D69-N71 PolarHBondContact OD2-ND2 3.48Å; D69-E78 PolarHBondContact N-OE1 3.12Å |
| 70 | G | 91 | Very high | 87.9 | Confident | 61 Ų | 61 | 48.5 Ų | 48.5 | 63% | 0.629 | 26% | 0.262 | S | S | * | . | trans | 77.5 | 24.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | D67 G72 | D67-G70 VanDerWaalsContact OD1-CA 3.25Å; D67-G70 WeakPolarHBondContact OD1-CA 3.49Å; D67-G70 PolarHBondContact OD1-N 2.83Å; D67-G70 VanDerWaalsContact OD2-CA 3.27Å; D67-G70 WeakPolarHBondContact OD2-CA 3.3Å; G70-G72 VanDerWaalsContact C-N 3.3Å | ||
| 71 | N | 92.9 | Very high | 87.4 | Confident | 76 Ų | 76 | 44.5 Ų | 44.5 | 41% | 0.406 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -83.6 | -4 | -177.7 | 73.2 | 33.2 | 0 | 0 | 0 | 114.4 | D67 D69 T73 E75 | D67-N71 PolarHBondContact OD1-N 3.13Å; D67-N71 VanDerWaalsContact OD1-N 3.12Å; D67-N71 PolarHBondContact OD2-N 2.85Å; D67-N71 VanDerWaalsContact OD2-N 3.13Å; D69-N71 VanDerWaalsContact CG-ND2 3.31Å; D69-N71 WeakPolarHBondContact OD1-CB 3.07Å; D69-N71 PolarHBondContact OD1-N 2.96Å; D69-N71 PolarHBondContact OD1-ND2 3.36Å; D69-N71 PolarHBondContact OD2-ND2 3.48Å; N71-T73 PolarHBondContact OD1-N 2.77Å; N71-T73 PolarHBondContact OD1-O 3.05Å; N71-T73 PolarHBondContact OD1-OG1 3.39Å; N71-E75 PolarHBondContact ND2-OE1 2.99Å |
| 72 | G | 91.8 | Very high | 86.9 | Confident | 33 Ų | 33 | 41.4 Ų | 41.4 | 34% | 0.34 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 83.9 | 16 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D67 G70 | D67-G72 VanDerWaalsContact OD2-CA 3.29Å; D67-G72 WeakPolarHBondContact OD2-CA 3.4Å; D67-G72 PolarHBondContact OD2-N 3.07Å; G70-G72 VanDerWaalsContact C-N 3.3Å |
| 73 | T | 92.6 | Very high | 86.3 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 8% | 0.08 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 161.8 | 176 | 64.8 | 0 | 0 | 0 | 0 | 110.8 | K37 I38 T39 N71 | K37-T73 HydrophobicContact CD-CG2 3.98Å; K37-T73 WeakPolarHBondContact CD-OG1 3.44Å; I38-T73 CarbonylContact O-C 3.6Å; I38-T73 WeakPolarHBondContact O-CA 3.34Å; T39-T73 HydrophobicContact CG2-CG2 3.98Å; N71-T73 PolarHBondContact OD1-N 2.77Å; N71-T73 PolarHBondContact OD1-O 3.05Å; N71-T73 PolarHBondContact OD1-OG1 3.39Å |
| 74 | I | 90.4 | Very high | 85.5 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 111.7 | 175.2 | -53 | 172.7 | 0 | 0 | 0 | 108.2 | F27 K37 I38 V63 V66 E78 F79 L182 | F27-I74 WeakPolarHBondContact CE2-O 3.42Å; K37-I74 CarbonylContact C-O 3.59Å; K37-I74 WeakPolarHBondContact CA-O 3.07Å; I38-I74 HydrophobicContact CB-CB 4.22Å; I38-I74 PolarHBondContact N-O 3.08Å; I38-I74 PolarHBondContact O-N 3.13Å; V63-I74 HydrophobicContact CB-CG1 4.42Å; V63-I74 HydrophobicContact CG1-CG1 4.07Å; V63-I74 HydrophobicContact CG2-CD1 4.18Å; V63-I74 HydrophobicContact CG2-CG1 4.27Å; V66-I74 HydrophobicContact CB-CD1 4.39Å; V66-I74 HydrophobicContact CB-CG1 4.4Å; V66-I74 HydrophobicContact CG1-CG2 3.85Å; I74-E78 WeakPolarHBondContact CA-OE2 3.33Å; I74-E78 HydrophobicContact CG2-CB 4.22Å; I74-F79 HydrophobicContact CG2-CB 3.98Å; I74-F79 HydrophobicContact CG2-CD2 4.48Å; I74-L182 HydrophobicContact CD1-CD2 4.4Å |
| 75 | E | 92.3 | Very high | 84.6 | Confident | 51 Ų | 51 | 43 Ų | 43 | 24% | 0.238 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 160 | 169.2 | -72.1 | 94.4 | -140.7 | 0 | 0 | 112.2 | N71 D77 E78 F79 | N71-E75 PolarHBondContact ND2-OE1 2.99Å; E75-D77 PolarHBondContact O-N 3.4Å; E75-D77 VanDerWaalsContact O-N 3.16Å; E75-E78 HydrophobicContact CB-CG 4.3Å; E75-E78 PolarHBondContact N-OE2 2.97Å; E75-E78 PolarHBondContact O-N 2.88Å; E75-E78 VanDerWaalsContact OE2-CD 3.23Å; E75-F79 WeakPolarHBondContact O-CB 3.25Å; E75-F79 PolarHBondContact O-N 3.34Å |
| 76 | F | 88.3 | Confident | 83.6 | Confident | 19 Ų | 19 | 38.9 Ų | 38.9 | 8% | 0.083 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58 | -31.8 | 177.1 | -175.4 | -125.8 | 0 | 0 | 0 | 113.9 | K9 I20 F23 Q24 F27 F79 L80 | K9-F76 HydrophobicContact CD-CE1 4.47Å; I20-F76 HydrophobicContact CG2-CE1 4.3Å; I20-F76 HydrophobicContact CG2-CZ 4.17Å; F23-F76 HydrophobicContact CB-CE2 4.16Å; F23-F76 HydrophobicContact CB-CZ 4.45Å; Q24-F76 HydrophobicContact CB-CE1 4.4Å; Q24-F76 HydrophobicContact CB-CE2 4.04Å; Q24-F76 HydrophobicContact CB-CZ 3.72Å; Q24-F76 HydrophobicContact CG-CZ 4.38Å; F27-F76 HydrophobicContact CB-CD2 3.76Å; F27-F76 HydrophobicContact CB-CE2 4.07Å; F27-F76 HydrophobicContact CD1-CB 4.5Å; F27-F76 HydrophobicContact CD1-CD2 4.31Å; F27-F76 HydrophobicContact CD2-CB 4.16Å; F27-F76 AromaticContact CD2-CD2 3.75Å; F27-F76 HydrophobicContact CD2-CD2 3.75Å; F27-F76 HydrophobicContact CD2-CG 4.44Å; F27-F76 HydrophobicContact CE1-CB 4.36Å; F27-F76 HydrophobicContact CE2-CB 4Å; F27-F76 HydrophobicContact CE2-CD2 4.43Å; F27-F76 HydrophobicContact CG-CB 4.39Å; F27-F76 AromaticContact CG-CD2 3.66Å; F27-F76 HydrophobicContact CG-CD2 3.66Å; F27-F76 HydrophobicContact CG-CE2 4.46Å; F27-F76 HydrophobicContact CG-CG 4.41Å; F27-F76 HydrophobicContact CZ-CB 4.1Å; F76-F79 HydrophobicContact CD2-CD1 4.4Å; F76-F79 HydrophobicContact CE2-CD1 4.43Å; F76-L80 HydrophobicContact CD1-CD1 4.21Å; F76-L80 HydrophobicContact CD2-CG 4.38Å; F76-L80 HydrophobicContact CE1-CD1 3.68Å; F76-L80 HydrophobicContact CE1-CG 4.13Å; F76-L80 HydrophobicContact CE2-CD1 4.4Å; F76-L80 HydrophobicContact CE2-CD2 4.02Å; F76-L80 HydrophobicContact CE2-CG 3.94Å; F76-L80 HydrophobicContact CZ-CD1 3.8Å; F76-L80 HydrophobicContact CZ-CD2 3.81Å; F76-L80 HydrophobicContact CZ-CG 3.79Å; F76-L80 WeakPolarHBondContact O-CB 3.48Å; F76-L80 VanDerWaalsContact O-CG 3.26Å; F76-L80 WeakPolarHBondContact O-CG 3.37Å; F76-L80 PolarHBondContact O-N 3.12Å |
| 77 | D | 87.7 | Confident | 82.6 | Confident | 49 Ų | 49 | 42.4 Ų | 42.4 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.5 | -36.9 | 176.3 | -86.5 | 22.7 | 0 | 0 | 0 | 112.4 | K9 R12 F13 E75 Q81 | K9-D77 WeakPolarHBondContact CE-OD1 3.28Å; K9-D77 IonicContact NZ-OD1 3.6Å; K9-D77 PolarHBondContact NZ-OD1 2.97Å; R12-D77 IonicContact NH1-OD2 2.66Å; R12-D77 PolarHBondContact NH1-OD2 3.1Å; F13-D77 HydrophobicContact CZ-CB 4.33Å; F13-D77 VanDerWaalsContact CZ-O 3.31Å; F13-D77 WeakPolarHBondContact CZ-O 3.28Å; E75-D77 PolarHBondContact O-N 3.4Å; E75-D77 VanDerWaalsContact O-N 3.16Å; D77-Q81 WeakPolarHBondContact O-CB 3.24Å; D77-Q81 PolarHBondContact O-N 3.18Å |
| 78 | E | 87.6 | Confident | 81.1 | Confident | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.1 | -42 | 176.2 | -57.7 | 178.2 | 132.6 | 0 | 0 | 110.5 | V66 E68 D69 I74 E75 L80 Q81 M82 | V66-E78 HydrophobicContact CG1-CB 4.08Å; E68-E78 PolarHBondContact N-OE1 2.9Å; D69-E78 PolarHBondContact N-OE1 3.12Å; I74-E78 WeakPolarHBondContact CA-OE2 3.33Å; I74-E78 HydrophobicContact CG2-CB 4.22Å; E75-E78 HydrophobicContact CB-CG 4.3Å; E75-E78 PolarHBondContact N-OE2 2.97Å; E75-E78 PolarHBondContact O-N 2.88Å; E75-E78 VanDerWaalsContact OE2-CD 3.23Å; E78-L80 PolarHBondContact O-N 3Å; E78-Q81 WeakPolarHBondContact O-CB 3.37Å; E78-Q81 PolarHBondContact O-N 3.37Å; E78-Q81 VanDerWaalsContact O-N 3.12Å; E78-M82 PolarHBondContact O-N 2.83Å |
| 79 | F | 84 | Confident | 79.6 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.3 | -52.6 | 170.2 | -172.5 | -89.9 | 0 | 0 | 0 | 111.1 | F23 A26 F27 F30 I38 I74 E75 F76 Q81 M82 M83 L182 | F23-F79 HydrophobicContact CB-CD1 4.49Å; F23-F79 HydrophobicContact CB-CE1 4.16Å; F23-F79 HydrophobicContact CD1-CE1 4.28Å; A26-F79 HydrophobicContact CB-CZ 4.24Å; F27-F79 HydrophobicContact CB-CD1 4.45Å; F27-F79 HydrophobicContact CB-CE1 4.42Å; F27-F79 HydrophobicContact CD2-CB 3.88Å; F27-F79 HydrophobicContact CD2-CD1 4.26Å; F27-F79 AromaticContact CD2-CD2 3.98Å; F27-F79 HydrophobicContact CD2-CD2 3.98Å; F27-F79 AromaticContact CD2-CG 3.8Å; F27-F79 HydrophobicContact CD2-CG 3.8Å; F27-F79 HydrophobicContact CE2-CB 4.22Å; F30-F79 HydrophobicContact CE2-CE2 4.32Å; I38-F79 HydrophobicContact CD1-CD2 4.09Å; I38-F79 HydrophobicContact CD1-CE2 4.31Å; I74-F79 HydrophobicContact CG2-CB 3.98Å; I74-F79 HydrophobicContact CG2-CD2 4.48Å; E75-F79 WeakPolarHBondContact O-CB 3.25Å; E75-F79 PolarHBondContact O-N 3.34Å; F76-F79 HydrophobicContact CD2-CD1 4.4Å; F76-F79 HydrophobicContact CE2-CD1 4.43Å; F79-Q81 VanDerWaalsContact C-N 3.27Å; F79-Q81 PolarHBondContact O-N 2.75Å; F79-M82 HydrophobicContact CD2-CE 4.45Å; F79-M82 PolarHBondContact O-N 3.38Å; F79-M83 HydrophobicContact CD1-CG 3.9Å; F79-M83 HydrophobicContact CE1-CG 3.71Å; F79-M83 HydrophobicContact CE1-SD 4.38Å; F79-M83 HydrophobicContact CZ-CG 4.26Å; F79-M83 HydrophobicContact CZ-SD 4.35Å; F79-M83 WeakPolarHBondContact O-CB 3.46Å; F79-M83 VanDerWaalsContact O-CG 3.24Å; F79-M83 WeakPolarHBondContact O-CG 3.33Å; F79-M83 PolarHBondContact O-N 3.48Å; F79-L182 HydrophobicContact CD2-CD2 4.36Å; F79-L182 HydrophobicContact CE2-CD1 3.77Å; F79-L182 HydrophobicContact CE2-CD2 4.26Å; F79-L182 HydrophobicContact CE2-CG 4.49Å; F79-L182 HydrophobicContact CZ-CD1 4.45Å |
| 80 | L | 82.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.1 | -39.4 | 176.4 | -75.8 | 177.8 | 0 | 0 | 0 | 112.1 | K9 F13 L15 I20 F23 F76 E78 M83 S84 | K9-L80 HydrophobicContact CD-CD1 3.85Å; K9-L80 HydrophobicContact CG-CD1 4.46Å; F13-L80 HydrophobicContact CD1-CB 4.46Å; F13-L80 HydrophobicContact CD2-CB 3.98Å; F13-L80 HydrophobicContact CD2-CD1 4Å; F13-L80 HydrophobicContact CE1-CB 4.45Å; F13-L80 HydrophobicContact CE2-CB 3.95Å; F13-L80 HydrophobicContact CE2-CD1 3.93Å; F13-L80 HydrophobicContact CG-CB 4.24Å; F13-L80 HydrophobicContact CZ-CB 4.19Å; L15-L80 HydrophobicContact CD1-CD2 3.94Å; I20-L80 HydrophobicContact CG2-CD1 4.4Å; F23-L80 HydrophobicContact CB-CD2 3.57Å; F23-L80 HydrophobicContact CD2-CD2 3.56Å; F23-L80 HydrophobicContact CG-CD2 3.88Å; F76-L80 HydrophobicContact CD1-CD1 4.21Å; F76-L80 HydrophobicContact CD2-CG 4.38Å; F76-L80 HydrophobicContact CE1-CD1 3.68Å; F76-L80 HydrophobicContact CE1-CG 4.13Å; F76-L80 HydrophobicContact CE2-CD1 4.4Å; F76-L80 HydrophobicContact CE2-CD2 4.02Å; F76-L80 HydrophobicContact CE2-CG 3.94Å; F76-L80 HydrophobicContact CZ-CD1 3.8Å; F76-L80 HydrophobicContact CZ-CD2 3.81Å; F76-L80 HydrophobicContact CZ-CG 3.79Å; F76-L80 WeakPolarHBondContact O-CB 3.48Å; F76-L80 VanDerWaalsContact O-CG 3.26Å; F76-L80 WeakPolarHBondContact O-CG 3.37Å; F76-L80 PolarHBondContact O-N 3.12Å; E78-L80 PolarHBondContact O-N 3Å; L80-M83 PolarHBondContact O-N 3.44Å; L80-S84 VanDerWaalsContact O-CB 3.25Å; L80-S84 WeakPolarHBondContact O-CB 3.4Å; L80-S84 PolarHBondContact O-N 2.9Å; L80-S84 PolarHBondContact O-OG 2.91Å |
| 81 | Q | 79.7 | Confident | 75.9 | Confident | 32 Ų | 32 | 49.8 Ų | 49.8 | 15% | 0.15 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.1 | -50.1 | 179.2 | -160.4 | -159.9 | 65.7 | 0 | 0 | 111.1 | F13 E68 D77 E78 F79 M83 S84 R85 | F13-Q81 HydrophobicContact CD1-CB 4.21Å; F13-Q81 HydrophobicContact CD1-CG 4.34Å; F13-Q81 HydrophobicContact CE1-CB 3.64Å; F13-Q81 HydrophobicContact CE1-CG 3.93Å; E68-Q81 VanDerWaalsContact CD-OE1 3.31Å; E68-Q81 PolarHBondContact OE1-NE2 3.33Å; E68-Q81 PolarHBondContact OE1-OE1 3.26Å; E68-Q81 PolarHBondContact OE2-NE2 3.2Å; D77-Q81 WeakPolarHBondContact O-CB 3.24Å; D77-Q81 PolarHBondContact O-N 3.18Å; E78-Q81 WeakPolarHBondContact O-CB 3.37Å; E78-Q81 PolarHBondContact O-N 3.37Å; E78-Q81 VanDerWaalsContact O-N 3.12Å; F79-Q81 VanDerWaalsContact C-N 3.27Å; F79-Q81 PolarHBondContact O-N 2.75Å; Q81-M83 PolarHBondContact O-N 2.9Å; Q81-S84 PolarHBondContact O-N 2.91Å; Q81-S84 PolarHBondContact O-OG 3.41Å; Q81-R85 WeakPolarHBondContact O-CG 3.48Å; Q81-R85 PolarHBondContact O-N 2.88Å |
| 82 | M | 75.4 | Confident | 74.5 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 9% | 0.089 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59 | -47.4 | 176.5 | 178.9 | -149.3 | 54.3 | 0 | 0 | 110.7 | V66 E78 F79 S84 R85 K86 L182 | V66-M82 HydrophobicContact CG1-CB 3.79Å; V66-M82 HydrophobicContact CG1-CG 4.39Å; V66-M82 HydrophobicContact CG1-SD 4.36Å; V66-M82 HydrophobicContact CG2-CB 4.24Å; V66-M82 HydrophobicContact CG2-CG 3.94Å; V66-M82 HydrophobicContact CG2-SD 3.51Å; V66-M82 VanDerWaalsContact CG2-SD 3.51Å; E78-M82 PolarHBondContact O-N 2.83Å; F79-M82 HydrophobicContact CD2-CE 4.45Å; F79-M82 PolarHBondContact O-N 3.38Å; M82-S84 VanDerWaalsContact C-N 3.33Å; M82-S84 PolarHBondContact O-N 3.37Å; M82-R85 PolarHBondContact O-N 3.14Å; M82-K86 HydrophobicContact CG-CG 4.39Å; M82-K86 WeakPolarHBondContact O-CG 3.42Å; M82-K86 PolarHBondContact O-N 3.5Å; M82-L182 HydrophobicContact CE-CD2 3.23Å; M82-L182 HydrophobicContact CE-CG 3.62Å; M82-L182 HydrophobicContact SD-CD2 3.42Å; M82-L182 WeakPolarHBondContact SD-CD2 3.32Å; M82-L182 HydrophobicContact SD-CG 4Å |
| 83 | M | 70.8 | Confident | 73.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 177.4 | -66.8 | -42.8 | -57 | 0 | 0 | 111.8 | F23 F79 L80 Q81 R85 K86 M87 L178 L181 | F23-M83 HydrophobicContact CD1-CB 4.14Å; F23-M83 HydrophobicContact CD1-CE 4.39Å; F23-M83 HydrophobicContact CD1-CG 3.82Å; F23-M83 HydrophobicContact CE1-CB 3.82Å; F23-M83 HydrophobicContact CE1-CE 3.72Å; F23-M83 HydrophobicContact CE1-CG 3.83Å; F23-M83 HydrophobicContact CE2-CB 4.22Å; F23-M83 HydrophobicContact CG-CG 4.41Å; F23-M83 HydrophobicContact CZ-CB 3.85Å; F23-M83 HydrophobicContact CZ-CE 4.41Å; F23-M83 HydrophobicContact CZ-CG 4.38Å; F79-M83 HydrophobicContact CD1-CG 3.9Å; F79-M83 HydrophobicContact CE1-CG 3.71Å; F79-M83 HydrophobicContact CE1-SD 4.38Å; F79-M83 HydrophobicContact CZ-CG 4.26Å; F79-M83 HydrophobicContact CZ-SD 4.35Å; F79-M83 WeakPolarHBondContact O-CB 3.46Å; F79-M83 VanDerWaalsContact O-CG 3.24Å; F79-M83 WeakPolarHBondContact O-CG 3.33Å; F79-M83 PolarHBondContact O-N 3.48Å; L80-M83 PolarHBondContact O-N 3.44Å; Q81-M83 PolarHBondContact O-N 2.9Å; M83-R85 VanDerWaalsContact C-N 3.3Å; M83-R85 PolarHBondContact O-N 2.85Å; M83-K86 PolarHBondContact O-N 3.32Å; M83-M87 WeakPolarHBondContact O-CB 3.29Å; M83-M87 VanDerWaalsContact O-CG 3.29Å; M83-M87 WeakPolarHBondContact O-CG 3.41Å; M83-M87 PolarHBondContact O-N 3.16Å; M83-L178 HydrophobicContact CE-CB 3.62Å; M83-L178 HydrophobicContact CE-CD1 3.83Å; M83-L178 HydrophobicContact CE-CD2 3.09Å; M83-L178 HydrophobicContact CE-CG 3.58Å; M83-L178 HydrophobicContact SD-CB 4.09Å; M83-L181 HydrophobicContact CE-CD1 3.97Å |
| 84 | S | 69.9 | Low | 71.8 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.9 | -30.2 | 179.4 | 77 | 0 | 0 | 0 | 0 | 113.4 | L80 Q81 M82 K88 | L80-S84 VanDerWaalsContact O-CB 3.25Å; L80-S84 WeakPolarHBondContact O-CB 3.4Å; L80-S84 PolarHBondContact O-N 2.9Å; L80-S84 PolarHBondContact O-OG 2.91Å; Q81-S84 PolarHBondContact O-N 2.91Å; Q81-S84 PolarHBondContact O-OG 3.41Å; M82-S84 VanDerWaalsContact C-N 3.33Å; M82-S84 PolarHBondContact O-N 3.37Å; S84-K88 WeakPolarHBondContact O-CD 3.35Å; S84-K88 VanDerWaalsContact O-CG 3.32Å; S84-K88 WeakPolarHBondContact O-CG 3.09Å |
| 85 | R | 67.8 | Low | 70.5 | Confident | 137 Ų | 137 | 57 Ų | 57 | 52% | 0.517 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -74.2 | -50.7 | 174.1 | -71.8 | 178.8 | -175.7 | 175.7 | 8.5 | 110 | E68 Q81 M82 M83 M87 K88 D89 | E68-R85 IonicContact OE1-NH2 2.66Å; Q81-R85 WeakPolarHBondContact O-CG 3.48Å; Q81-R85 PolarHBondContact O-N 2.88Å; M82-R85 PolarHBondContact O-N 3.14Å; M83-R85 VanDerWaalsContact C-N 3.3Å; M83-R85 PolarHBondContact O-N 2.85Å; R85-M87 PolarHBondContact O-N 2.97Å; R85-K88 WeakPolarHBondContact O-CB 3.17Å; R85-K88 PolarHBondContact O-N 2.93Å; R85-D89 PolarHBondContact O-N 3.39Å; R85-D89 VanDerWaalsContact O-N 3.13Å |
| 86 | K | 62.1 | Low | 69.2 | Low | 71 Ų | 71 | 54.7 Ų | 54.7 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 180 | -70.6 | -64.4 | -155.3 | 164.4 | 0 | 112.1 | M82 M83 K88 D89 S90 L181 | M82-K86 HydrophobicContact CG-CG 4.39Å; M82-K86 WeakPolarHBondContact O-CG 3.42Å; M82-K86 PolarHBondContact O-N 3.5Å; M83-K86 PolarHBondContact O-N 3.32Å; K86-K88 PolarHBondContact O-N 3.47Å; K86-K88 VanDerWaalsContact O-N 3.12Å; K86-D89 PolarHBondContact O-N 2.83Å; K86-D89 VanDerWaalsContact O-N 3.08Å; K86-S90 WeakPolarHBondContact O-CB 3.31Å; K86-S90 PolarHBondContact O-N 3.47Å; K86-S90 PolarHBondContact O-OG 3.06Å; K86-L181 HydrophobicContact CB-CB 4.45Å; K86-L181 HydrophobicContact CB-CD1 3.79Å; K86-L181 HydrophobicContact CB-CD2 3.67Å; K86-L181 HydrophobicContact CB-CG 4.18Å; K86-L181 HydrophobicContact CD-CD2 3.59Å; K86-L181 VanDerWaalsContact CE-O 3.27Å; K86-L181 WeakPolarHBondContact CE-O 3.25Å; K86-L181 HydrophobicContact CG-CB 4.22Å; K86-L181 HydrophobicContact CG-CD1 4.45Å; K86-L181 HydrophobicContact CG-CD2 3.74Å; K86-L181 HydrophobicContact CG-CG 4.37Å |
| 87 | M | 60.4 | Low | 68.4 | Low | 89 Ų | 89 | 60.5 Ų | 60.5 | 44% | 0.438 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.6 | -23.1 | 174.6 | -74.3 | -168.9 | 85 | 0 | 0 | 114.7 | L15 F23 M83 R85 | L15-M87 HydrophobicContact CD2-SD 4.1Å; F23-M87 HydrophobicContact CE2-SD 4.15Å; F23-M87 HydrophobicContact CZ-SD 3.59Å; F23-M87 VanDerWaalsContact CZ-SD 3.59Å; M83-M87 WeakPolarHBondContact O-CB 3.29Å; M83-M87 VanDerWaalsContact O-CG 3.29Å; M83-M87 WeakPolarHBondContact O-CG 3.41Å; M83-M87 PolarHBondContact O-N 3.16Å; R85-M87 PolarHBondContact O-N 2.97Å |
| 88 | K | 58.3 | Low | 67.5 | Low | 152 Ų | 152 | 59.9 Ų | 59.9 | 66% | 0.661 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -88.1 | -27.1 | 177.3 | -72.5 | 173.4 | -174.3 | 168.7 | 0 | 112.6 | S84 R85 K86 | S84-K88 WeakPolarHBondContact O-CD 3.35Å; S84-K88 VanDerWaalsContact O-CG 3.32Å; S84-K88 WeakPolarHBondContact O-CG 3.09Å; R85-K88 WeakPolarHBondContact O-CB 3.17Å; R85-K88 PolarHBondContact O-N 2.93Å; K86-K88 PolarHBondContact O-N 3.47Å; K86-K88 VanDerWaalsContact O-N 3.12Å |
| 89 | D | 54.4 | Low | 66.6 | Low | 136 Ų | 136 | 59.5 Ų | 59.5 | 73% | 0.727 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -101 | -12.1 | -174.7 | -70.1 | -22.6 | 0 | 0 | 0 | 113.2 | R85 K86 | R85-D89 PolarHBondContact O-N 3.39Å; R85-D89 VanDerWaalsContact O-N 3.13Å; K86-D89 PolarHBondContact O-N 2.83Å; K86-D89 VanDerWaalsContact O-N 3.08Å |
| 90 | S | 51.3 | Low | 66.3 | Low | 33 Ų | 33 | 59.9 Ų | 59.9 | 23% | 0.231 | 28% | 0.284 | C | S | . | . | trans | -80.7 | 125.9 | -170.7 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | K86 S92 E95 | K86-S90 WeakPolarHBondContact O-CB 3.31Å; K86-S90 PolarHBondContact O-N 3.47Å; K86-S90 PolarHBondContact O-OG 3.06Å; S90-S92 PolarHBondContact O-N 2.94Å; S90-E95 WeakPolarHBondContact CB-OE1 2.89Å; S90-E95 WeakPolarHBondContact CB-OE2 3.49Å; S90-E95 PolarHBondContact OG-OE2 2.85Å | ||
| 91 | D | 54.9 | Low | 66.1 | Low | 120 Ų | 120 | 64.3 Ų | 64.3 | 64% | 0.642 | 30% | 0.304 | S | S | * | . | trans | -71.9 | 86.2 | 157.1 | -156 | -7.4 | 0 | 0 | 0 | 106.1 | E93 Q94 | D91-E93 PolarHBondContact O-N 2.78Å; D91-Q94 PolarHBondContact O-N 3.23Å | ||
| 92 | S | 61.6 | Low | 65.9 | Low | 47 Ų | 47 | 63.6 Ų | 63.6 | 33% | 0.329 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -52.6 | -21.3 | -169 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | S90 L96 F157 | S90-S92 PolarHBondContact O-N 2.94Å; S92-L96 WeakPolarHBondContact O-CB 3.17Å; S92-L96 PolarHBondContact O-N 3.08Å; S92-L96 VanDerWaalsContact O-N 3.14Å; S92-F157 VanDerWaalsContact OG-CE1 3.22Å; S92-F157 WeakPolarHBondContact OG-CE1 3.36Å; S92-F157 WeakPolarHBondContact OG-CZ 3.25Å |
| 93 | E | 63.2 | Low | 66.1 | Low | 112 Ų | 112 | 62.8 Ų | 62.8 | 52% | 0.523 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.5 | -46.4 | 174.2 | -165.8 | 176.9 | 175.9 | 0 | 0 | 112.6 | D91 E95 L96 R97 Y149 | D91-E93 PolarHBondContact O-N 2.78Å; E93-E95 PolarHBondContact O-N 3.39Å; E93-L96 PolarHBondContact O-N 3.14Å; E93-R97 WeakPolarHBondContact O-CB 2.96Å; E93-R97 PolarHBondContact O-N 2.79Å; E93-Y149 WeakPolarHBondContact CG-OH 3.45Å; E93-Y149 PolarHBondContact O-OH 3.48Å |
| 94 | Q | 65.3 | Low | 66.8 | Low | 90 Ų | 90 | 63.3 Ų | 63.3 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | -178.2 | 177.7 | 61 | 28.4 | 0 | 0 | 111.1 | D91 L96 R97 E98 | D91-Q94 PolarHBondContact O-N 3.23Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.03Å; Q94-R97 WeakPolarHBondContact O-CB 3.46Å; Q94-R97 PolarHBondContact O-N 3.35Å; Q94-E98 PolarHBondContact NE2-OE1 2.95Å; Q94-E98 WeakPolarHBondContact O-CG 3.45Å; Q94-E98 PolarHBondContact O-N 3.29Å |
| 95 | E | 62.9 | Low | 67.4 | Low | 26 Ų | 26 | 67.7 Ų | 67.7 | 12% | 0.121 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 178.1 | -62.4 | 179.8 | 176.8 | 0 | 0 | 111.1 | S90 E93 R97 E98 A99 L177 Q180 L181 | S90-E95 WeakPolarHBondContact CB-OE1 2.89Å; S90-E95 WeakPolarHBondContact CB-OE2 3.49Å; S90-E95 PolarHBondContact OG-OE2 2.85Å; E93-E95 PolarHBondContact O-N 3.39Å; E95-R97 VanDerWaalsContact C-N 3.27Å; E95-R97 PolarHBondContact O-N 2.9Å; E95-E98 PolarHBondContact O-N 2.78Å; E95-A99 PolarHBondContact O-N 2.81Å; E95-L177 HydrophobicContact CB-CD1 3.64Å; E95-L177 HydrophobicContact CB-CD2 3.91Å; E95-L177 HydrophobicContact CB-CG 3.65Å; E95-L177 VanDerWaalsContact O-CD1 3.31Å; E95-L177 WeakPolarHBondContact O-CD1 3.26Å; E95-L177 WeakPolarHBondContact OE2-CD2 3.24Å; E95-Q180 PolarHBondContact O-OE1 2.97Å; E95-L181 HydrophobicContact CG-CD2 4.36Å; E95-L181 WeakPolarHBondContact OE1-CD2 3.43Å |
| 96 | L | 66.1 | Low | 68.3 | Low | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 176.3 | -179.3 | 59 | 0 | 0 | 0 | 110.4 | S92 E93 Q94 E98 A99 F100 Y149 S153 L156 F157 I173 L177 | S92-L96 WeakPolarHBondContact O-CB 3.17Å; S92-L96 PolarHBondContact O-N 3.08Å; S92-L96 VanDerWaalsContact O-N 3.14Å; E93-L96 PolarHBondContact O-N 3.14Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.03Å; L96-E98 VanDerWaalsContact C-N 3.32Å; L96-E98 PolarHBondContact O-N 3.4Å; L96-A99 PolarHBondContact O-N 3.05Å; L96-F100 HydrophobicContact CD1-CD2 3.85Å; L96-F100 HydrophobicContact CD1-CE2 3.85Å; L96-F100 HydrophobicContact CG-CD2 4.05Å; L96-F100 HydrophobicContact CG-CE2 4.22Å; L96-F100 WeakPolarHBondContact O-CB 3.22Å; L96-F100 WeakPolarHBondContact O-CD2 3.05Å; L96-F100 PolarHBondContact O-N 3.03Å; L96-Y149 HydrophobicContact CB-CE2 4.17Å; L96-Y149 HydrophobicContact CD2-CE2 4.03Å; L96-Y149 HydrophobicContact CG-CD2 4.43Å; L96-Y149 HydrophobicContact CG-CE2 3.75Å; L96-S153 VanDerWaalsContact CD2-CA 3.47Å; L96-L156 HydrophobicContact CD1-CD1 3.27Å; L96-L156 HydrophobicContact CD2-CD1 3.78Å; L96-L156 HydrophobicContact CG-CD1 4.17Å; L96-F157 HydrophobicContact CD2-CE2 4.38Å; L96-I173 HydrophobicContact CD1-CG2 3.31Å; L96-L177 HydrophobicContact CB-CD1 4.14Å; L96-L177 HydrophobicContact CD1-CD1 4.45Å |
| 97 | R | 70.5 | Confident | 69.4 | Low | 140 Ų | 140 | 70.6 Ų | 70.6 | 53% | 0.528 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 178.5 | -171.8 | -178.2 | 179.1 | -174.4 | 0.4 | 111.8 | E93 Q94 E95 F100 Q101 Y149 | E93-R97 WeakPolarHBondContact O-CB 2.96Å; E93-R97 PolarHBondContact O-N 2.79Å; Q94-R97 WeakPolarHBondContact O-CB 3.46Å; Q94-R97 PolarHBondContact O-N 3.35Å; E95-R97 VanDerWaalsContact C-N 3.27Å; E95-R97 PolarHBondContact O-N 2.9Å; R97-F100 WeakPolarHBondContact O-CB 3.42Å; R97-F100 PolarHBondContact O-N 3.4Å; R97-Q101 WeakPolarHBondContact O-CG 3.38Å; R97-Q101 PolarHBondContact O-N 3.08Å; R97-Y149 HydrophobicContact CB-CE2 3.79Å; R97-Y149 HydrophobicContact CG-CE2 4.35Å |
| 98 | E | 69.7 | Low | 70.6 | Confident | 36 Ų | 36 | 70.1 Ų | 70.1 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 175 | -70.5 | 172.5 | -165.8 | 0 | 0 | 110.6 | Q94 E95 L96 F100 Q101 V102 Q180 | Q94-E98 PolarHBondContact NE2-OE1 2.95Å; Q94-E98 WeakPolarHBondContact O-CG 3.45Å; Q94-E98 PolarHBondContact O-N 3.29Å; E95-E98 PolarHBondContact O-N 2.78Å; L96-E98 VanDerWaalsContact C-N 3.32Å; L96-E98 PolarHBondContact O-N 3.4Å; E98-F100 VanDerWaalsContact C-N 3.3Å; E98-F100 PolarHBondContact O-N 3.07Å; E98-Q101 WeakPolarHBondContact O-CB 3.31Å; E98-Q101 PolarHBondContact O-N 3.39Å; E98-Q101 VanDerWaalsContact O-N 3.15Å; E98-V102 PolarHBondContact O-N 2.94Å; E98-Q180 VanDerWaalsContact C-CD 3.45Å; E98-Q180 VanDerWaalsContact CB-CD 3.47Å; E98-Q180 PolarHBondContact O-NE2 3.42Å |
| 99 | A | 69.1 | Low | 71.8 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.5 | -39.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | E95 L96 Q101 V102 F103 I173 L176 L177 Q180 | E95-A99 PolarHBondContact O-N 2.81Å; L96-A99 PolarHBondContact O-N 3.05Å; A99-Q101 VanDerWaalsContact C-N 3.33Å; A99-Q101 PolarHBondContact O-N 3.12Å; A99-V102 WeakPolarHBondContact O-CB 3.5Å; A99-V102 PolarHBondContact O-N 3.23Å; A99-V102 VanDerWaalsContact O-N 3.13Å; A99-F103 WeakPolarHBondContact O-CD2 3.34Å; A99-I173 HydrophobicContact CB-CG2 4.21Å; A99-L176 HydrophobicContact CB-CB 4.11Å; A99-L177 HydrophobicContact CB-CB 4.41Å; A99-L177 HydrophobicContact CB-CD1 4.16Å; A99-Q180 VanDerWaalsContact CA-OE1 3.22Å |
| 100 | F | 76 | Confident | 73.3 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.5 | -43.7 | 172.4 | -101.9 | -93.8 | 0 | 0 | 0 | 112.7 | L96 R97 E98 V102 F103 D104 I111 V147 Y149 T152 I173 | L96-F100 HydrophobicContact CD1-CD2 3.85Å; L96-F100 HydrophobicContact CD1-CE2 3.85Å; L96-F100 HydrophobicContact CG-CD2 4.05Å; L96-F100 HydrophobicContact CG-CE2 4.22Å; L96-F100 WeakPolarHBondContact O-CB 3.22Å; L96-F100 WeakPolarHBondContact O-CD2 3.05Å; L96-F100 PolarHBondContact O-N 3.03Å; R97-F100 WeakPolarHBondContact O-CB 3.42Å; R97-F100 PolarHBondContact O-N 3.4Å; E98-F100 VanDerWaalsContact C-N 3.3Å; E98-F100 PolarHBondContact O-N 3.07Å; F100-V102 PolarHBondContact O-N 3.45Å; F100-V102 VanDerWaalsContact O-N 3.16Å; F100-F103 PolarHBondContact O-N 3.08Å; F100-D104 WeakPolarHBondContact O-CB 3.48Å; F100-D104 PolarHBondContact O-N 2.74Å; F100-I111 HydrophobicContact CD1-CD1 3.59Å; F100-I111 HydrophobicContact CD1-CG1 3.9Å; F100-I111 HydrophobicContact CE1-CD1 3.39Å; F100-I111 HydrophobicContact CE1-CG1 3.84Å; F100-I111 HydrophobicContact CG-CD1 4.32Å; F100-I111 HydrophobicContact CZ-CD1 3.98Å; F100-V147 HydrophobicContact CE1-CG1 4.4Å; F100-V147 HydrophobicContact CZ-CG1 4.26Å; F100-Y149 HydrophobicContact CB-CD2 4.28Å; F100-Y149 HydrophobicContact CD1-CD2 4.36Å; F100-Y149 AromaticContact CD2-CD2 3.72Å; F100-Y149 HydrophobicContact CD2-CD2 3.72Å; F100-Y149 HydrophobicContact CD2-CE2 4.3Å; F100-Y149 HydrophobicContact CE2-CD2 4.19Å; F100-Y149 AromaticContact CG-CD2 3.84Å; F100-Y149 HydrophobicContact CG-CD2 3.84Å; F100-T152 HydrophobicContact CE2-CG2 3.59Å; F100-T152 HydrophobicContact CZ-CG2 3.53Å; F100-T152 WeakPolarHBondContact CZ-OG1 3.28Å; F100-I173 HydrophobicContact CE2-CD1 3.74Å; F100-I173 HydrophobicContact CZ-CD1 3.92Å |
| 101 | Q | 78 | Confident | 74.9 | Confident | 93 Ų | 93 | 59.7 Ų | 59.7 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -18.5 | 179 | -70.4 | 172.2 | 33.4 | 0 | 0 | 113.8 | R97 E98 A99 F103 | R97-Q101 WeakPolarHBondContact O-CG 3.38Å; R97-Q101 PolarHBondContact O-N 3.08Å; E98-Q101 WeakPolarHBondContact O-CB 3.31Å; E98-Q101 PolarHBondContact O-N 3.39Å; E98-Q101 VanDerWaalsContact O-N 3.15Å; A99-Q101 VanDerWaalsContact C-N 3.33Å; A99-Q101 PolarHBondContact O-N 3.12Å; Q101-F103 VanDerWaalsContact C-N 3.35Å |
| 102 | V | 76.4 | Confident | 76.5 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.6 | -35.6 | 173.2 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | L50 E98 A99 F100 K105 L176 | L50-V102 HydrophobicContact CD2-CG1 4.38Å; E98-V102 PolarHBondContact O-N 2.94Å; A99-V102 WeakPolarHBondContact O-CB 3.5Å; A99-V102 PolarHBondContact O-N 3.23Å; A99-V102 VanDerWaalsContact O-N 3.13Å; F100-V102 PolarHBondContact O-N 3.45Å; F100-V102 VanDerWaalsContact O-N 3.16Å; V102-K105 VanDerWaalsContact O-CE 3.3Å; V102-K105 WeakPolarHBondContact O-CE 3.44Å; V102-K105 PolarHBondContact O-NZ 2.92Å; V102-L176 HydrophobicContact CB-CD2 4.25Å; V102-L176 HydrophobicContact CG1-CD1 4.47Å; V102-L176 HydrophobicContact CG1-CD2 3.78Å; V102-L176 HydrophobicContact CG2-CD2 4.48Å |
| 103 | F | 80.3 | Confident | 77.7 | Confident | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -80.8 | -51.8 | 176.7 | -67.9 | -84.4 | 0 | 0 | 0 | 112.5 | A99 F100 Q101 K105 I111 E115 L116 V119 V172 I173 L176 | A99-F103 WeakPolarHBondContact O-CD2 3.34Å; F100-F103 PolarHBondContact O-N 3.08Å; Q101-F103 VanDerWaalsContact C-N 3.35Å; F103-K105 WeakPolarHBondContact O-CG 3.11Å; F103-K105 PolarHBondContact O-N 3.37Å; F103-I111 HydrophobicContact CB-CB 4.33Å; F103-I111 HydrophobicContact CB-CD1 3.49Å; F103-I111 VanDerWaalsContact CB-CD1 3.49Å; F103-I111 HydrophobicContact CB-CG1 3.58Å; F103-I111 HydrophobicContact CB-CG2 3.87Å; F103-I111 HydrophobicContact CD1-CD1 4.48Å; F103-I111 HydrophobicContact CD1-CG2 4.31Å; F103-I111 HydrophobicContact CD2-CD1 3.75Å; F103-I111 HydrophobicContact CE2-CD1 4.47Å; F103-I111 HydrophobicContact CG-CD1 3.71Å; F103-I111 HydrophobicContact CG-CG1 4.32Å; F103-I111 HydrophobicContact CG-CG2 4.32Å; F103-E115 WeakPolarHBondContact O-CB 3.48Å; F103-L116 HydrophobicContact CD1-CD1 4.24Å; F103-L116 HydrophobicContact CE1-CD1 3.68Å; F103-L116 HydrophobicContact CZ-CD1 4.45Å; F103-V119 HydrophobicContact CD1-CB 3.65Å; F103-V119 HydrophobicContact CD1-CG1 3.83Å; F103-V119 HydrophobicContact CD1-CG2 3.66Å; F103-V119 HydrophobicContact CE1-CB 3.77Å; F103-V119 HydrophobicContact CE1-CG1 3.58Å; F103-V119 HydrophobicContact CE1-CG2 4.27Å; F103-V119 HydrophobicContact CG-CG2 4.27Å; F103-V119 HydrophobicContact CZ-CG1 4.27Å; F103-V172 HydrophobicContact CE1-CG1 3.99Å; F103-V172 HydrophobicContact CZ-CB 4.12Å; F103-V172 HydrophobicContact CZ-CG1 3.47Å; F103-V172 VanDerWaalsContact CZ-CG1 3.47Å; F103-I173 HydrophobicContact CD2-CG1 4.41Å; F103-I173 HydrophobicContact CE2-CB 4.49Å; F103-I173 HydrophobicContact CE2-CG1 3.58Å; F103-I173 HydrophobicContact CZ-CG1 4.13Å; F103-L176 HydrophobicContact CD2-CD1 3.7Å; F103-L176 HydrophobicContact CE1-CD1 3.98Å; F103-L176 HydrophobicContact CE2-CD1 2.98Å; F103-L176 HydrophobicContact CE2-CG 4.39Å; F103-L176 HydrophobicContact CG-CD1 4.47Å; F103-L176 HydrophobicContact CZ-CD1 3.17Å |
| 104 | D | 84.6 | Confident | 78.9 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 6% | 0.064 | 27% | 0.271 | C | S | . | . | trans | -68.9 | 87.4 | -177.6 | 178.9 | 6.4 | 0 | 0 | 0 | 110.1 | F100 K107 D108 G109 F110 | F100-D104 WeakPolarHBondContact O-CB 3.48Å; F100-D104 PolarHBondContact O-N 2.74Å; D104-K107 VanDerWaalsContact CG-CA 3.45Å; D104-K107 WeakPolarHBondContact OD1-CA 3.34Å; D104-K107 PolarHBondContact OD1-N 3.31Å; D104-K107 VanDerWaalsContact OD2-CA 3.31Å; D104-K107 WeakPolarHBondContact OD2-CA 3.47Å; D104-D108 PolarHBondContact OD1-N 3.31Å; D104-D108 PolarHBondContact OD2-N 2.96Å; D104-G109 VanDerWaalsContact OD2-CA 3.28Å; D104-G109 WeakPolarHBondContact OD2-CA 3.37Å; D104-G109 PolarHBondContact OD2-N 2.92Å; D104-F110 WeakPolarHBondContact CB-O 3.44Å | ||
| 105 | K | 82.7 | Confident | 80 | Confident | 99 Ų | 99 | 49.7 Ų | 49.7 | 43% | 0.43 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -77.1 | -33.2 | -173.4 | -71.1 | -47.4 | -171.4 | -162.9 | 0 | 111.4 | V102 F103 E115 | V102-K105 VanDerWaalsContact O-CE 3.3Å; V102-K105 WeakPolarHBondContact O-CE 3.44Å; V102-K105 PolarHBondContact O-NZ 2.92Å; F103-K105 WeakPolarHBondContact O-CG 3.11Å; F103-K105 PolarHBondContact O-N 3.37Å; K105-E115 HydrophobicContact CB-CG 4.46Å; K105-E115 HydrophobicContact CG-CG 4.46Å; K105-E115 PolarHBondContact N-OE1 2.81Å |
| 106 | D | 86.8 | Confident | 81 | Confident | 108 Ų | 108 | 48.6 Ų | 48.6 | 58% | 0.578 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -90.1 | -7.8 | 179 | 69.4 | 13.5 | 0 | 0 | 0 | 113.6 | D108 | D106-D108 VanDerWaalsContact C-N 3.32Å; D106-D108 WeakPolarHBondContact OD1-CB 3.45Å; D106-D108 VanDerWaalsContact OD1-CG 3.24Å; D106-D108 PolarHBondContact OD1-N 2.98Å; D106-D108 VanDerWaalsContact OD1-N 3.13Å |
| 107 | K | 84.6 | Confident | 82 | Confident | 161 Ų | 161 | 51.3 Ų | 51.3 | 70% | 0.7 | 26% | 0.262 | S | S | * | . | trans | 65.6 | 32.7 | 176.5 | -56.9 | -174.9 | 176.5 | -171.2 | 0 | 112.6 | D104 G109 | D104-K107 VanDerWaalsContact CG-CA 3.45Å; D104-K107 WeakPolarHBondContact OD1-CA 3.34Å; D104-K107 PolarHBondContact OD1-N 3.31Å; D104-K107 VanDerWaalsContact OD2-CA 3.31Å; D104-K107 WeakPolarHBondContact OD2-CA 3.47Å; K107-G109 VanDerWaalsContact C-N 3.27Å | ||
| 108 | D | 86.5 | Confident | 82.6 | Confident | 80 Ų | 80 | 50.6 Ų | 50.6 | 43% | 0.428 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -80.4 | -9.8 | 177.9 | 80.1 | -5 | 0 | 0 | 0 | 113.2 | D104 D106 F110 | D104-D108 PolarHBondContact OD1-N 3.31Å; D104-D108 PolarHBondContact OD2-N 2.96Å; D106-D108 VanDerWaalsContact C-N 3.32Å; D106-D108 WeakPolarHBondContact OD1-CB 3.45Å; D106-D108 VanDerWaalsContact OD1-CG 3.24Å; D106-D108 PolarHBondContact OD1-N 2.98Å; D106-D108 VanDerWaalsContact OD1-N 3.13Å; D108-F110 WeakPolarHBondContact O-CD2 3.39Å; D108-F110 WeakPolarHBondContact OD1-CA 3.34Å; D108-F110 VanDerWaalsContact OD1-CB 3.28Å; D108-F110 WeakPolarHBondContact OD1-CB 3.28Å; D108-F110 PolarHBondContact OD1-N 2.98Å |
| 109 | G | 82.9 | Confident | 83.1 | Confident | 33 Ų | 33 | 49.1 Ų | 49.1 | 34% | 0.34 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 93.7 | 6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D104 K107 | D104-G109 VanDerWaalsContact OD2-CA 3.28Å; D104-G109 WeakPolarHBondContact OD2-CA 3.37Å; D104-G109 PolarHBondContact OD2-N 2.92Å; K107-G109 VanDerWaalsContact C-N 3.27Å |
| 110 | F | 85.3 | Confident | 83.6 | Confident | 65 Ų | 65 | 49.2 Ų | 49.2 | 29% | 0.285 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 157.9 | -177 | -58.3 | -94.8 | 0 | 0 | 0 | 111 | D104 D108 L146 V147 N148 | D104-F110 WeakPolarHBondContact CB-O 3.44Å; D108-F110 WeakPolarHBondContact O-CD2 3.39Å; D108-F110 WeakPolarHBondContact OD1-CA 3.34Å; D108-F110 VanDerWaalsContact OD1-CB 3.28Å; D108-F110 WeakPolarHBondContact OD1-CB 3.28Å; D108-F110 PolarHBondContact OD1-N 2.98Å; F110-L146 HydrophobicContact CB-CB 4.05Å; F110-L146 HydrophobicContact CB-CD1 4.13Å; F110-L146 HydrophobicContact CD1-CB 3.89Å; F110-L146 HydrophobicContact CD1-CD1 4.06Å; F110-L146 HydrophobicContact CG-CB 4.31Å; F110-L146 HydrophobicContact CG-CD1 4.06Å; F110-V147 CarbonylContact C-O 3.56Å; F110-V147 WeakPolarHBondContact CA-O 3.41Å; F110-N148 HydrophobicContact CD1-CB 3.69Å; F110-N148 HydrophobicContact CE1-CB 3.67Å |
| 111 | I | 85 | Confident | 83.8 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 113.2 | 169.7 | -54.8 | 170.3 | 0 | 0 | 0 | 107.9 | F100 F103 E115 L116 V147 | F100-I111 HydrophobicContact CD1-CD1 3.59Å; F100-I111 HydrophobicContact CD1-CG1 3.9Å; F100-I111 HydrophobicContact CE1-CD1 3.39Å; F100-I111 HydrophobicContact CE1-CG1 3.84Å; F100-I111 HydrophobicContact CG-CD1 4.32Å; F100-I111 HydrophobicContact CZ-CD1 3.98Å; F103-I111 HydrophobicContact CB-CB 4.33Å; F103-I111 HydrophobicContact CB-CD1 3.49Å; F103-I111 VanDerWaalsContact CB-CD1 3.49Å; F103-I111 HydrophobicContact CB-CG1 3.58Å; F103-I111 HydrophobicContact CB-CG2 3.87Å; F103-I111 HydrophobicContact CD1-CD1 4.48Å; F103-I111 HydrophobicContact CD1-CG2 4.31Å; F103-I111 HydrophobicContact CD2-CD1 3.75Å; F103-I111 HydrophobicContact CE2-CD1 4.47Å; F103-I111 HydrophobicContact CG-CD1 3.71Å; F103-I111 HydrophobicContact CG-CG1 4.32Å; F103-I111 HydrophobicContact CG-CG2 4.32Å; I111-E115 HydrophobicContact CG2-CB 4.18Å; I111-L116 HydrophobicContact CG2-CB 4.06Å; I111-V147 HydrophobicContact CB-CB 4.18Å; I111-V147 PolarHBondContact N-O 2.88Å; I111-V147 PolarHBondContact O-N 2.72Å |
| 112 | S | 88.6 | Confident | 83.8 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | trans | -77.9 | 160.2 | 172.1 | 67.4 | 0 | 0 | 0 | 0 | 111.9 | S114 E115 L116 | S112-S114 PolarHBondContact O-N 3.15Å; S112-E115 WeakPolarHBondContact CB-OE2 3.18Å; S112-E115 PolarHBondContact N-OE2 3.23Å; S112-E115 PolarHBondContact O-N 3.23Å; S112-E115 VanDerWaalsContact O-N 3.15Å; S112-E115 VanDerWaalsContact OG-CG 3.31Å; S112-E115 WeakPolarHBondContact OG-CG 3.27Å; S112-E115 PolarHBondContact OG-N 3.08Å; S112-E115 PolarHBondContact OG-OE2 2.91Å; S112-L116 PolarHBondContact O-N 3.21Å | ||
| 113 | A | 87.5 | Confident | 83.5 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 13% | 0.132 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.5 | -38 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H117 V132 I136 | A113-H117 VanDerWaalsContact O-CB 3.3Å; A113-H117 WeakPolarHBondContact O-CB 3.31Å; A113-H117 PolarHBondContact O-N 2.73Å; A113-V132 HydrophobicContact CB-CG1 3.91Å; A113-V132 VanDerWaalsContact O-CG1 3.24Å; A113-V132 WeakPolarHBondContact O-CG1 2.96Å; A113-I136 HydrophobicContact CB-CG1 3.98Å |
| 114 | S | 88.9 | Confident | 83.1 | Confident | 96 Ų | 96 | 52.6 Ų | 52.6 | 67% | 0.671 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68 | -38.5 | 179.1 | -60.5 | 0 | 0 | 0 | 0 | 112.5 | S112 Y118 | S112-S114 PolarHBondContact O-N 3.15Å; S114-Y118 VanDerWaalsContact O-CB 3.28Å; S114-Y118 WeakPolarHBondContact O-CB 3.35Å; S114-Y118 PolarHBondContact O-N 3.31Å |
| 115 | E | 87.4 | Confident | 82.6 | Confident | 16 Ų | 16 | 55.9 Ų | 55.9 | 8% | 0.075 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.2 | -43.7 | 176.2 | -76 | 166.2 | 134.5 | 0 | 0 | 112.2 | F103 K105 I111 S112 Y118 V119 | F103-E115 WeakPolarHBondContact O-CB 3.48Å; K105-E115 HydrophobicContact CB-CG 4.46Å; K105-E115 HydrophobicContact CG-CG 4.46Å; K105-E115 PolarHBondContact N-OE1 2.81Å; I111-E115 HydrophobicContact CG2-CB 4.18Å; S112-E115 WeakPolarHBondContact CB-OE2 3.18Å; S112-E115 PolarHBondContact N-OE2 3.23Å; S112-E115 PolarHBondContact O-N 3.23Å; S112-E115 VanDerWaalsContact O-N 3.15Å; S112-E115 VanDerWaalsContact OG-CG 3.31Å; S112-E115 WeakPolarHBondContact OG-CG 3.27Å; S112-E115 PolarHBondContact OG-N 3.08Å; S112-E115 PolarHBondContact OG-OE2 2.91Å; E115-Y118 PolarHBondContact O-N 2.89Å; E115-V119 WeakPolarHBondContact O-CG2 3.13Å; E115-V119 PolarHBondContact O-N 3.49Å |
| 116 | L | 84.6 | Confident | 82.3 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.1 | -50.9 | 173.6 | 179.5 | 60.3 | 0 | 0 | 0 | 110.7 | F103 I111 S112 Y118 V119 M120 V132 M135 I136 I169 | F103-L116 HydrophobicContact CD1-CD1 4.24Å; F103-L116 HydrophobicContact CE1-CD1 3.68Å; F103-L116 HydrophobicContact CZ-CD1 4.45Å; I111-L116 HydrophobicContact CG2-CB 4.06Å; S112-L116 PolarHBondContact O-N 3.21Å; L116-Y118 VanDerWaalsContact C-N 3.31Å; L116-Y118 PolarHBondContact O-N 3.46Å; L116-V119 PolarHBondContact O-N 2.86Å; L116-M120 HydrophobicContact CD1-CG 4Å; L116-M120 HydrophobicContact CG-CG 4.38Å; L116-M120 WeakPolarHBondContact O-CB 3.13Å; L116-M120 WeakPolarHBondContact O-CG 3.36Å; L116-M120 PolarHBondContact O-N 3.01Å; L116-V132 HydrophobicContact CB-CG1 4.38Å; L116-V132 HydrophobicContact CD2-CG1 4.09Å; L116-V132 HydrophobicContact CG-CG1 4.35Å; L116-M135 HydrophobicContact CD1-CE 4.07Å; L116-M135 HydrophobicContact CD2-CB 3.86Å; L116-M135 HydrophobicContact CD2-CE 4.01Å; L116-M135 HydrophobicContact CD2-SD 4.3Å; L116-M135 HydrophobicContact CG-CE 4.38Å; L116-I136 HydrophobicContact CB-CD1 4.29Å; L116-I136 HydrophobicContact CD2-CD1 3.7Å; L116-I136 HydrophobicContact CD2-CG1 3.98Å; L116-I169 HydrophobicContact CD1-CG1 4.29Å; L116-I169 HydrophobicContact CD2-CD1 3.69Å; L116-I169 HydrophobicContact CD2-CG1 3.91Å |
| 117 | H | 85.8 | Confident | 81.9 | Confident | 60 Ų | 60 | 56.5 Ų | 56.5 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.5 | -42.6 | 178.2 | -174.8 | -101.2 | 0 | 0 | 0 | 112.4 | A113 M120 T121 L127 V132 | A113-H117 VanDerWaalsContact O-CB 3.3Å; A113-H117 WeakPolarHBondContact O-CB 3.31Å; A113-H117 PolarHBondContact O-N 2.73Å; H117-M120 PolarHBondContact O-N 3.42Å; H117-T121 VanDerWaalsContact O-CB 3.3Å; H117-T121 WeakPolarHBondContact O-CB 3.49Å; H117-T121 PolarHBondContact O-N 3.44Å; H117-T121 PolarHBondContact O-OG1 3.32Å; H117-L127 PolarHBondContact NE2-O 3.4Å; H117-V132 HydrophobicContact CB-CG1 4.26Å; H117-V132 HydrophobicContact CB-CG2 4.02Å |
| 118 | Y | 84.5 | Confident | 82 | Confident | 125 Ų | 125 | 52 Ų | 52 | 49% | 0.49 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61 | -49.2 | 178.3 | 178.6 | -99.8 | 0 | 0 | 0 | 111.9 | S114 E115 L116 N122 | S114-Y118 VanDerWaalsContact O-CB 3.28Å; S114-Y118 WeakPolarHBondContact O-CB 3.35Å; S114-Y118 PolarHBondContact O-N 3.31Å; E115-Y118 PolarHBondContact O-N 2.89Å; L116-Y118 VanDerWaalsContact C-N 3.31Å; L116-Y118 PolarHBondContact O-N 3.46Å; Y118-N122 WeakPolarHBondContact CE1-ND2 3.44Å; Y118-N122 WeakPolarHBondContact O-CB 3.18Å; Y118-N122 VanDerWaalsContact O-CG 3.3Å; Y118-N122 PolarHBondContact O-N 2.99Å; Y118-N122 PolarHBondContact O-ND2 3.17Å |
| 119 | V | 80.5 | Confident | 82 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.03 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 178.7 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | F103 E115 L116 T121 N122 L123 L176 | F103-V119 HydrophobicContact CD1-CB 3.65Å; F103-V119 HydrophobicContact CD1-CG1 3.83Å; F103-V119 HydrophobicContact CD1-CG2 3.66Å; F103-V119 HydrophobicContact CE1-CB 3.77Å; F103-V119 HydrophobicContact CE1-CG1 3.58Å; F103-V119 HydrophobicContact CE1-CG2 4.27Å; F103-V119 HydrophobicContact CG-CG2 4.27Å; F103-V119 HydrophobicContact CZ-CG1 4.27Å; E115-V119 WeakPolarHBondContact O-CG2 3.13Å; E115-V119 PolarHBondContact O-N 3.49Å; L116-V119 PolarHBondContact O-N 2.86Å; V119-T121 PolarHBondContact O-N 3.21Å; V119-N122 PolarHBondContact O-N 2.9Å; V119-L123 HydrophobicContact CG1-CD1 3.92Å; V119-L123 HydrophobicContact CG1-CG 4.35Å; V119-L123 WeakPolarHBondContact O-CB 3.28Å; V119-L123 WeakPolarHBondContact O-CG 3.31Å; V119-L123 PolarHBondContact O-N 3.4Å; V119-L176 HydrophobicContact CG1-CD1 4.12Å |
| 120 | M | 78.5 | Confident | 82.1 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 179.2 | -69.9 | -59.5 | -81.4 | 0 | 0 | 112 | L116 H117 N122 L123 G124 E125 L127 M135 L168 V172 | L116-M120 HydrophobicContact CD1-CG 4Å; L116-M120 HydrophobicContact CG-CG 4.38Å; L116-M120 WeakPolarHBondContact O-CB 3.13Å; L116-M120 WeakPolarHBondContact O-CG 3.36Å; L116-M120 PolarHBondContact O-N 3.01Å; H117-M120 PolarHBondContact O-N 3.42Å; M120-N122 VanDerWaalsContact C-N 3.32Å; M120-N122 PolarHBondContact O-N 2.75Å; M120-L123 CarbonylContact O-C 3.36Å; M120-L123 WeakPolarHBondContact O-CB 3.3Å; M120-L123 PolarHBondContact O-N 2.86Å; M120-L123 VanDerWaalsContact O-N 3.12Å; M120-G124 PolarHBondContact O-N 2.83Å; M120-E125 CarbonylContact C-O 3.53Å; M120-E125 HydrophobicContact CB-CB 4.29Å; M120-E125 HydrophobicContact CE-CB 3.78Å; M120-E125 HydrophobicContact CE-CG 3.86Å; M120-E125 WeakPolarHBondContact O-CB 3.43Å; M120-E125 PolarHBondContact O-N 2.95Å; M120-L127 HydrophobicContact CB-CD1 3.91Å; M120-L127 HydrophobicContact CB-CG 4.49Å; M120-L127 HydrophobicContact CE-CD1 3.62Å; M120-L127 HydrophobicContact CE-CG 4.31Å; M120-L127 HydrophobicContact CG-CD1 3.75Å; M120-M135 HydrophobicContact CE-CE 4.27Å; M120-L168 HydrophobicContact CE-CD2 4.39Å; M120-L168 HydrophobicContact CE-CG 4.37Å; M120-V172 HydrophobicContact CE-CG2 3.5Å; M120-V172 VanDerWaalsContact CE-CG2 3.5Å; M120-V172 HydrophobicContact SD-CB 4Å; M120-V172 HydrophobicContact SD-CG1 3.54Å; M120-V172 VanDerWaalsContact SD-CG1 3.54Å; M120-V172 HydrophobicContact SD-CG2 3.28Å; M120-V172 WeakPolarHBondContact SD-CG2 3.36Å |
| 121 | T | 80.9 | Confident | 81.9 | Confident | 66 Ų | 66 | 58.7 Ų | 58.7 | 41% | 0.405 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 176.8 | -60 | 0 | 0 | 0 | 0 | 111.6 | H117 V119 L123 G124 E125 | H117-T121 VanDerWaalsContact O-CB 3.3Å; H117-T121 WeakPolarHBondContact O-CB 3.49Å; H117-T121 PolarHBondContact O-N 3.44Å; H117-T121 PolarHBondContact O-OG1 3.32Å; V119-T121 PolarHBondContact O-N 3.21Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 3.46Å; T121-G124 PolarHBondContact O-N 2.91Å; T121-G124 VanDerWaalsContact O-N 3.08Å; T121-E125 WeakPolarHBondContact CA-O 3.3Å; T121-E125 PolarHBondContact N-O 3.24Å |
| 122 | N | 77.1 | Confident | 81.9 | Confident | 58 Ų | 58 | 58.7 Ų | 58.7 | 31% | 0.31 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.9 | -27.4 | 177.3 | -73.7 | -26.8 | 0 | 0 | 0 | 113.2 | S49 Y118 V119 M120 G124 | S49-N122 WeakPolarHBondContact CB-O 3.39Å; S49-N122 WeakPolarHBondContact O-CB 3.47Å; S49-N122 PolarHBondContact OG-O 3.38Å; Y118-N122 WeakPolarHBondContact CE1-ND2 3.44Å; Y118-N122 WeakPolarHBondContact O-CB 3.18Å; Y118-N122 VanDerWaalsContact O-CG 3.3Å; Y118-N122 PolarHBondContact O-N 2.99Å; Y118-N122 PolarHBondContact O-ND2 3.17Å; V119-N122 PolarHBondContact O-N 2.9Å; M120-N122 VanDerWaalsContact C-N 3.32Å; M120-N122 PolarHBondContact O-N 2.75Å; N122-G124 PolarHBondContact O-N 2.84Å |
| 123 | L | 69.9 | Low | 81.6 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -5.9 | 171.3 | -74.1 | 176 | 0 | 0 | 0 | 113.1 | L29 L50 V119 M120 T121 V172 | L29-L123 HydrophobicContact CD2-CD2 4.19Å; L50-L123 HydrophobicContact CD2-CD2 3.5Å; L50-L123 HydrophobicContact CD2-CG 4.13Å; L50-L123 HydrophobicContact CG-CD2 4.26Å; V119-L123 HydrophobicContact CG1-CD1 3.92Å; V119-L123 HydrophobicContact CG1-CG 4.35Å; V119-L123 WeakPolarHBondContact O-CB 3.28Å; V119-L123 WeakPolarHBondContact O-CG 3.31Å; V119-L123 PolarHBondContact O-N 3.4Å; M120-L123 CarbonylContact O-C 3.36Å; M120-L123 WeakPolarHBondContact O-CB 3.3Å; M120-L123 PolarHBondContact O-N 2.86Å; M120-L123 VanDerWaalsContact O-N 3.12Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 3.46Å; L123-V172 HydrophobicContact CD1-CG1 3.8Å |
| 124 | G | 72.9 | Confident | 81.3 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 61% | 0.608 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | 1.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | M120 T121 N122 | M120-G124 PolarHBondContact O-N 2.83Å; T121-G124 PolarHBondContact O-N 2.91Å; T121-G124 VanDerWaalsContact O-N 3.08Å; N122-G124 PolarHBondContact O-N 2.84Å |
| 125 | E | 74 | Confident | 80.7 | Confident | 81 Ų | 81 | 59 Ų | 59 | 38% | 0.379 | 30% | 0.3 | S | S | . | . | trans | -83.2 | 121.9 | 176.9 | -62.9 | -62.2 | 159.7 | 0 | 0 | 109.7 | M120 T121 | M120-E125 CarbonylContact C-O 3.53Å; M120-E125 HydrophobicContact CB-CB 4.29Å; M120-E125 HydrophobicContact CE-CB 3.78Å; M120-E125 HydrophobicContact CE-CG 3.86Å; M120-E125 WeakPolarHBondContact O-CB 3.43Å; M120-E125 PolarHBondContact O-N 2.95Å; T121-E125 WeakPolarHBondContact CA-O 3.3Å; T121-E125 PolarHBondContact N-O 3.24Å | ||
| 126 | K | 76.5 | Confident | 80.5 | Confident | 196 Ų | 196 | 58.5 Ų | 58.5 | 85% | 0.852 | 30% | 0.298 | S | S | * | . | trans | -97.7 | 97.7 | 176.8 | -68.4 | -175.4 | -178.4 | 178.5 | 0 | 109.1 | ||||
| 127 | L | 78.7 | Confident | 80.2 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 13% | 0.126 | 33% | 0.325 | C | S | . | . | trans | -99.8 | 142 | 173.7 | -59.7 | 177.2 | 0 | 0 | 0 | 110.7 | H117 M120 E131 V132 M135 L168 | H117-L127 PolarHBondContact NE2-O 3.4Å; M120-L127 HydrophobicContact CB-CD1 3.91Å; M120-L127 HydrophobicContact CB-CG 4.49Å; M120-L127 HydrophobicContact CE-CD1 3.62Å; M120-L127 HydrophobicContact CE-CG 4.31Å; M120-L127 HydrophobicContact CG-CD1 3.75Å; L127-E131 VanDerWaalsContact CA-OE2 3.3Å; L127-E131 WeakPolarHBondContact CA-OE2 3.4Å; L127-E131 HydrophobicContact CB-CB 4.22Å; L127-E131 HydrophobicContact CD2-CB 4.3Å; L127-V132 HydrophobicContact CB-CG2 3.75Å; L127-V132 HydrophobicContact CD1-CG2 3.96Å; L127-M135 HydrophobicContact CD1-CE 4.28Å; L127-M135 HydrophobicContact CD1-SD 3.37Å; L127-M135 WeakPolarHBondContact CD1-SD 3.46Å; L127-L168 HydrophobicContact CD2-CD2 4.32Å | ||
| 128 | T | 86.3 | Confident | 79.5 | Confident | 67 Ų | 67 | 64.1 Ų | 64.1 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | trans | -74.3 | 160.2 | 166.9 | 82.4 | 0 | 0 | 0 | 0 | 110.5 | E130 E131 V132 | T128-E130 WeakPolarHBondContact CB-OE2 3.42Å; T128-E130 PolarHBondContact O-N 3.18Å; T128-E130 PolarHBondContact OG1-N 3.5Å; T128-E130 PolarHBondContact OG1-OE2 2.65Å; T128-E131 PolarHBondContact N-OE2 3.24Å; T128-E131 PolarHBondContact O-N 2.88Å; T128-E131 PolarHBondContact OG1-N 2.9Å; T128-V132 PolarHBondContact O-N 2.82Å | ||
| 129 | D | 86.2 | Confident | 78.9 | Confident | 110 Ų | 110 | 58.3 Ų | 58.3 | 59% | 0.588 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -56.6 | -37.2 | 175.8 | -67.2 | -16.3 | 0 | 0 | 0 | 110.6 | V132 Q133 | D129-V132 PolarHBondContact O-N 3.16Å; D129-Q133 WeakPolarHBondContact O-CB 3.42Å; D129-Q133 WeakPolarHBondContact O-CG 3.4Å; D129-Q133 PolarHBondContact O-N 3.13Å |
| 130 | E | 85.1 | Confident | 78.9 | Confident | 140 Ų | 140 | 59.2 Ų | 59.2 | 65% | 0.654 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 175.6 | -61.3 | 76.3 | -165.4 | 0 | 0 | 112.7 | T128 Q133 E134 | T128-E130 WeakPolarHBondContact CB-OE2 3.42Å; T128-E130 PolarHBondContact O-N 3.18Å; T128-E130 PolarHBondContact OG1-N 3.5Å; T128-E130 PolarHBondContact OG1-OE2 2.65Å; E130-Q133 PolarHBondContact O-N 3.45Å; E130-E134 WeakPolarHBondContact O-CB 3.4Å; E130-E134 PolarHBondContact O-N 3.43Å |
| 131 | E | 81.7 | Confident | 78.6 | Confident | 68 Ų | 68 | 63.5 Ų | 63.5 | 32% | 0.318 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 177.5 | -69.1 | 175.4 | 136.6 | 0 | 0 | 111.1 | L127 T128 E134 M135 | L127-E131 VanDerWaalsContact CA-OE2 3.3Å; L127-E131 WeakPolarHBondContact CA-OE2 3.4Å; L127-E131 HydrophobicContact CB-CB 4.22Å; L127-E131 HydrophobicContact CD2-CB 4.3Å; T128-E131 PolarHBondContact N-OE2 3.24Å; T128-E131 PolarHBondContact O-N 2.88Å; T128-E131 PolarHBondContact OG1-N 2.9Å; E131-E134 PolarHBondContact O-N 3.15Å; E131-M135 VanDerWaalsContact O-CG 3.27Å; E131-M135 WeakPolarHBondContact O-CG 3.36Å; E131-M135 PolarHBondContact O-N 2.85Å |
| 132 | V | 84 | Confident | 78.6 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 174.9 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | A113 L116 H117 L127 T128 D129 E134 M135 I136 | A113-V132 HydrophobicContact CB-CG1 3.91Å; A113-V132 VanDerWaalsContact O-CG1 3.24Å; A113-V132 WeakPolarHBondContact O-CG1 2.96Å; L116-V132 HydrophobicContact CB-CG1 4.38Å; L116-V132 HydrophobicContact CD2-CG1 4.09Å; L116-V132 HydrophobicContact CG-CG1 4.35Å; H117-V132 HydrophobicContact CB-CG1 4.26Å; H117-V132 HydrophobicContact CB-CG2 4.02Å; L127-V132 HydrophobicContact CB-CG2 3.75Å; L127-V132 HydrophobicContact CD1-CG2 3.96Å; T128-V132 PolarHBondContact O-N 2.82Å; D129-V132 PolarHBondContact O-N 3.16Å; V132-E134 VanDerWaalsContact C-N 3.3Å; V132-E134 PolarHBondContact O-N 2.91Å; V132-M135 WeakPolarHBondContact O-CB 3.42Å; V132-M135 PolarHBondContact O-N 3.44Å; V132-I136 WeakPolarHBondContact O-CG1 3.27Å; V132-I136 PolarHBondContact O-N 2.91Å |
| 133 | Q | 83.6 | Confident | 78.8 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 45% | 0.449 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 178 | -71.1 | -65.7 | -34.7 | 0 | 0 | 111.8 | D129 E130 R137 | D129-Q133 WeakPolarHBondContact O-CB 3.42Å; D129-Q133 WeakPolarHBondContact O-CG 3.4Å; D129-Q133 PolarHBondContact O-N 3.13Å; E130-Q133 PolarHBondContact O-N 3.45Å; Q133-R137 WeakPolarHBondContact O-CB 3.38Å; Q133-R137 PolarHBondContact O-N 2.75Å |
| 134 | E | 79.4 | Confident | 79.4 | Confident | 55 Ų | 55 | 68.6 Ų | 68.6 | 26% | 0.257 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 174.4 | -162.7 | 61.4 | -145.1 | 0 | 0 | 111.2 | E130 E131 V132 I136 R137 E138 Y165 | E130-E134 WeakPolarHBondContact O-CB 3.4Å; E130-E134 PolarHBondContact O-N 3.43Å; E131-E134 PolarHBondContact O-N 3.15Å; V132-E134 VanDerWaalsContact C-N 3.3Å; V132-E134 PolarHBondContact O-N 2.91Å; E134-I136 PolarHBondContact O-N 3Å; E134-R137 PolarHBondContact O-N 2.73Å; E134-R137 IonicContact OE1-NH1 3.74Å; E134-R137 PolarHBondContact OE1-NH1 3.42Å; E134-R137 IonicContact OE2-CZ 3.47Å; E134-R137 IonicContact OE2-NH1 3.78Å; E134-R137 PolarHBondContact OE2-NH1 2.78Å; E134-R137 IonicContact OE2-NH2 3.39Å; E134-E138 WeakPolarHBondContact O-CG 3.35Å; E134-E138 PolarHBondContact O-N 2.73Å; E134-Y165 HydrophobicContact CB-CD2 4.49Å; E134-Y165 HydrophobicContact CB-CG 4.49Å; E134-Y165 HydrophobicContact CG-CD2 3.67Å; E134-Y165 HydrophobicContact CG-CE2 4.11Å; E134-Y165 HydrophobicContact CG-CG 4.08Å |
| 135 | M | 77.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -55 | -52.3 | 173.7 | -75.5 | 175.7 | 76 | 0 | 0 | 111.5 | L116 M120 L127 E131 V132 R137 E138 A139 Y165 L168 I169 | L116-M135 HydrophobicContact CD1-CE 4.07Å; L116-M135 HydrophobicContact CD2-CB 3.86Å; L116-M135 HydrophobicContact CD2-CE 4.01Å; L116-M135 HydrophobicContact CD2-SD 4.3Å; L116-M135 HydrophobicContact CG-CE 4.38Å; M120-M135 HydrophobicContact CE-CE 4.27Å; L127-M135 HydrophobicContact CD1-CE 4.28Å; L127-M135 HydrophobicContact CD1-SD 3.37Å; L127-M135 WeakPolarHBondContact CD1-SD 3.46Å; E131-M135 VanDerWaalsContact O-CG 3.27Å; E131-M135 WeakPolarHBondContact O-CG 3.36Å; E131-M135 PolarHBondContact O-N 2.85Å; V132-M135 WeakPolarHBondContact O-CB 3.42Å; V132-M135 PolarHBondContact O-N 3.44Å; M135-R137 PolarHBondContact O-N 3.13Å; M135-E138 PolarHBondContact O-N 3.05Å; M135-A139 PolarHBondContact O-N 3.13Å; M135-A139 VanDerWaalsContact O-N 3.11Å; M135-Y165 HydrophobicContact CG-CD1 4.33Å; M135-L168 HydrophobicContact CE-CB 3.9Å; M135-L168 HydrophobicContact CE-CD2 3.75Å; M135-L168 HydrophobicContact CE-CG 3.57Å; M135-L168 HydrophobicContact CG-CB 4.47Å; M135-L168 HydrophobicContact CG-CD2 4.27Å; M135-L168 HydrophobicContact SD-CB 4.47Å; M135-L168 HydrophobicContact SD-CD2 3.58Å; M135-L168 VanDerWaalsContact SD-CD2 3.58Å; M135-L168 HydrophobicContact SD-CG 4.11Å; M135-I169 HydrophobicContact CB-CD1 3.79Å; M135-I169 HydrophobicContact CB-CG1 3.82Å; M135-I169 HydrophobicContact CE-CB 4.47Å; M135-I169 HydrophobicContact CE-CG1 3.52Å; M135-I169 HydrophobicContact CG-CG1 4.41Å; M135-I169 WeakPolarHBondContact O-CD1 3.44Å |
| 136 | I | 81.6 | Confident | 80.4 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.4 | -51.1 | 177.6 | -67.2 | -66.3 | 0 | 0 | 0 | 110.1 | A113 L116 V132 E134 E138 A139 D140 G145 V147 I169 | A113-I136 HydrophobicContact CB-CG1 3.98Å; L116-I136 HydrophobicContact CB-CD1 4.29Å; L116-I136 HydrophobicContact CD2-CD1 3.7Å; L116-I136 HydrophobicContact CD2-CG1 3.98Å; V132-I136 WeakPolarHBondContact O-CG1 3.27Å; V132-I136 PolarHBondContact O-N 2.91Å; E134-I136 PolarHBondContact O-N 3Å; I136-E138 PolarHBondContact O-N 2.78Å; I136-A139 PolarHBondContact O-N 2.88Å; I136-D140 HydrophobicContact CG2-CB 4.48Å; I136-D140 WeakPolarHBondContact O-CB 3.43Å; I136-D140 PolarHBondContact O-N 2.73Å; I136-G145 WeakPolarHBondContact CG2-O 3.28Å; I136-V147 HydrophobicContact CD1-CG2 3.69Å; I136-V147 HydrophobicContact CG2-CG2 4.42Å; I136-I169 HydrophobicContact CD1-CD1 4.46Å |
| 137 | R | 78.3 | Confident | 80.6 | Confident | 155 Ų | 155 | 56.9 Ų | 56.9 | 59% | 0.585 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58.1 | -34.2 | -179.3 | -170.4 | -170.5 | -59.2 | 143.7 | 11.4 | 112.8 | Q133 E134 M135 | Q133-R137 WeakPolarHBondContact O-CB 3.38Å; Q133-R137 PolarHBondContact O-N 2.75Å; E134-R137 PolarHBondContact O-N 2.73Å; E134-R137 IonicContact OE1-NH1 3.74Å; E134-R137 PolarHBondContact OE1-NH1 3.42Å; E134-R137 IonicContact OE2-CZ 3.47Å; E134-R137 IonicContact OE2-NH1 3.78Å; E134-R137 PolarHBondContact OE2-NH1 2.78Å; E134-R137 IonicContact OE2-NH2 3.39Å; M135-R137 PolarHBondContact O-N 3.13Å |
| 138 | E | 72.7 | Confident | 80.6 | Confident | 25 Ų | 25 | 57 Ų | 57 | 12% | 0.117 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -77.1 | -28.8 | 178.7 | -70.2 | -164.1 | -179.8 | 0 | 0 | 113 | E134 M135 I136 R155 K163 Y165 A166 | E134-E138 WeakPolarHBondContact O-CG 3.35Å; E134-E138 PolarHBondContact O-N 2.73Å; M135-E138 PolarHBondContact O-N 3.05Å; I136-E138 PolarHBondContact O-N 2.78Å; E138-R155 PolarHBondContact O-NH1 2.82Å; E138-K163 WeakPolarHBondContact OE2-CB 3.43Å; E138-Y165 VanDerWaalsContact OE2-C 3.28Å; E138-Y165 WeakPolarHBondContact OE2-CA 3.48Å; E138-Y165 WeakPolarHBondContact OE2-CB 3.39Å; E138-Y165 PolarHBondContact OE2-N 3.26Å; E138-A166 HydrophobicContact CB-CB 3.58Å; E138-A166 PolarHBondContact OE2-N 2.8Å |
| 139 | A | 71.7 | Confident | 80 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.033 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -91.7 | -26.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | M135 I136 L141 V147 I169 | M135-A139 PolarHBondContact O-N 3.13Å; M135-A139 VanDerWaalsContact O-N 3.11Å; I136-A139 PolarHBondContact O-N 2.88Å; A139-L141 PolarHBondContact O-N 3.18Å; A139-V147 HydrophobicContact CB-CB 4.46Å; A139-V147 HydrophobicContact CB-CG1 3.95Å; A139-V147 HydrophobicContact CB-CG2 3.62Å; A139-I169 HydrophobicContact CB-CB 4.35Å; A139-I169 HydrophobicContact CB-CD1 3.55Å; A139-I169 HydrophobicContact CB-CG2 4.17Å |
| 140 | D | 79.5 | Confident | 79.1 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | trans | -65.9 | 108.3 | 173.7 | 175.7 | 7.9 | 0 | 0 | 0 | 109.8 | I136 D142 G143 D144 G145 | I136-D140 HydrophobicContact CG2-CB 4.48Å; I136-D140 WeakPolarHBondContact O-CB 3.43Å; I136-D140 PolarHBondContact O-N 2.73Å; D140-D142 PolarHBondContact OD1-N 3.4Å; D140-D142 VanDerWaalsContact OD1-OD1 3.13Å; D140-G143 WeakPolarHBondContact OD1-CA 3.23Å; D140-G143 PolarHBondContact OD1-N 3.21Å; D140-G143 WeakPolarHBondContact OD2-CA 3.48Å; D140-G143 PolarHBondContact OD2-N 3.45Å; D140-D144 PolarHBondContact OD1-N 3.47Å; D140-D144 PolarHBondContact OD2-N 3.07Å; D140-G145 WeakPolarHBondContact OD2-CA 3.09Å; D140-G145 PolarHBondContact OD2-N 2.9Å | ||
| 141 | L | 73.6 | Confident | 78.2 | Confident | 93 Ų | 93 | 49.3 Ų | 49.3 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -88.8 | -23.5 | -177 | -72.7 | -169.7 | 0 | 0 | 0 | 113.7 | A139 G151 R155 | A139-L141 PolarHBondContact O-N 3.18Å; L141-G151 VanDerWaalsContact CD1-CA 3.45Å; L141-G151 WeakPolarHBondContact CD1-O 3.31Å; L141-R155 HydrophobicContact CD1-CG 4.04Å; L141-R155 HydrophobicContact CD2-CG 3.99Å; L141-R155 HydrophobicContact CG-CG 4.29Å |
| 142 | D | 79.9 | Confident | 77.5 | Confident | 97 Ų | 97 | 46.1 Ų | 46.1 | 52% | 0.519 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -107.9 | -7.5 | -175.5 | 59.4 | 27.2 | 0 | 0 | 0 | 113.2 | D140 D144 N148 | D140-D142 PolarHBondContact OD1-N 3.4Å; D140-D142 VanDerWaalsContact OD1-OD1 3.13Å; D142-D144 WeakPolarHBondContact OD1-CB 3.31Å; D142-D144 PolarHBondContact OD1-N 3.21Å; D142-N148 PolarHBondContact OD2-ND2 2.9Å; D142-N148 VanDerWaalsContact OD2-ND2 3.07Å |
| 143 | G | 81.2 | Confident | 76.6 | Confident | 63 Ų | 63 | 46.8 Ų | 46.8 | 65% | 0.649 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 81.4 | 18.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D140 G145 | D140-G143 WeakPolarHBondContact OD1-CA 3.23Å; D140-G143 PolarHBondContact OD1-N 3.21Å; D140-G143 WeakPolarHBondContact OD2-CA 3.48Å; D140-G143 PolarHBondContact OD2-N 3.45Å; G143-G145 VanDerWaalsContact C-N 3.26Å |
| 144 | D | 83.9 | Confident | 75.7 | Confident | 78 Ų | 78 | 47.6 Ų | 47.6 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -80.4 | -5.7 | -179.6 | 77.4 | -4.1 | 0 | 0 | 0 | 113.8 | D140 D142 L146 | D140-D144 PolarHBondContact OD1-N 3.47Å; D140-D144 PolarHBondContact OD2-N 3.07Å; D142-D144 WeakPolarHBondContact OD1-CB 3.31Å; D142-D144 PolarHBondContact OD1-N 3.21Å; D144-L146 VanDerWaalsContact C-N 3.34Å; D144-L146 WeakPolarHBondContact OD1-CA 3.44Å; D144-L146 VanDerWaalsContact OD1-CB 3.25Å; D144-L146 WeakPolarHBondContact OD1-CB 3.41Å; D144-L146 PolarHBondContact OD1-N 2.84Å; D144-L146 VanDerWaalsContact OD1-O 3.14Å |
| 145 | G | 82.8 | Confident | 74.9 | Confident | 38 Ų | 38 | 47.4 Ų | 47.4 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 82.8 | 10.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I136 D140 G143 | I136-G145 WeakPolarHBondContact CG2-O 3.28Å; D140-G145 WeakPolarHBondContact OD2-CA 3.09Å; D140-G145 PolarHBondContact OD2-N 2.9Å; G143-G145 VanDerWaalsContact C-N 3.26Å |
| 146 | L | 83.3 | Confident | 74.2 | Confident | 51 Ų | 51 | 48.9 Ų | 48.9 | 27% | 0.267 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -126.6 | 153 | 179.7 | -56.7 | 173.2 | 0 | 0 | 0 | 110.3 | F110 D144 | F110-L146 HydrophobicContact CB-CB 4.05Å; F110-L146 HydrophobicContact CB-CD1 4.13Å; F110-L146 HydrophobicContact CD1-CB 3.89Å; F110-L146 HydrophobicContact CD1-CD1 4.06Å; F110-L146 HydrophobicContact CG-CB 4.31Å; F110-L146 HydrophobicContact CG-CD1 4.06Å; D144-L146 VanDerWaalsContact C-N 3.34Å; D144-L146 WeakPolarHBondContact OD1-CA 3.44Å; D144-L146 VanDerWaalsContact OD1-CB 3.25Å; D144-L146 WeakPolarHBondContact OD1-CB 3.41Å; D144-L146 PolarHBondContact OD1-N 2.84Å; D144-L146 VanDerWaalsContact OD1-O 3.14Å |
| 147 | V | 80.8 | Confident | 73.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 109 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | F100 F110 I111 I136 A139 T152 I169 | F100-V147 HydrophobicContact CE1-CG1 4.4Å; F100-V147 HydrophobicContact CZ-CG1 4.26Å; F110-V147 CarbonylContact C-O 3.56Å; F110-V147 WeakPolarHBondContact CA-O 3.41Å; I111-V147 HydrophobicContact CB-CB 4.18Å; I111-V147 PolarHBondContact N-O 2.88Å; I111-V147 PolarHBondContact O-N 2.72Å; I136-V147 HydrophobicContact CD1-CG2 3.69Å; I136-V147 HydrophobicContact CG2-CG2 4.42Å; A139-V147 HydrophobicContact CB-CB 4.46Å; A139-V147 HydrophobicContact CB-CG1 3.95Å; A139-V147 HydrophobicContact CB-CG2 3.62Å; V147-T152 WeakPolarHBondContact CG1-OG1 3.49Å; V147-I169 HydrophobicContact CG2-CD1 4.15Å |
| 148 | N | 79.6 | Confident | 72.2 | Confident | 26 Ų | 26 | 49.3 Ų | 49.3 | 14% | 0.139 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 150.7 | 178.2 | 73.1 | 62.9 | 0 | 0 | 0 | 112.4 | F110 D142 N150 G151 T152 | F110-N148 HydrophobicContact CD1-CB 3.69Å; F110-N148 HydrophobicContact CE1-CB 3.67Å; D142-N148 PolarHBondContact OD2-ND2 2.9Å; D142-N148 VanDerWaalsContact OD2-ND2 3.07Å; N148-N150 PolarHBondContact O-N 3.04Å; N148-N150 PolarHBondContact OD1-N 2.72Å; N148-G151 PolarHBondContact O-N 3.13Å; N148-G151 PolarHBondContact OD1-N 3.12Å; N148-T152 PolarHBondContact O-N 3.03Å; N148-T152 VanDerWaalsContact O-N 3.13Å; N148-T152 PolarHBondContact O-OG1 3.21Å |
| 149 | Y | 73 | Confident | 71.2 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 15% | 0.145 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.1 | -47 | -178.6 | 175.3 | -99.8 | 0 | 0 | 0 | 113.3 | E93 L96 R97 F100 G151 T152 S153 | E93-Y149 WeakPolarHBondContact CG-OH 3.45Å; E93-Y149 PolarHBondContact O-OH 3.48Å; L96-Y149 HydrophobicContact CB-CE2 4.17Å; L96-Y149 HydrophobicContact CD2-CE2 4.03Å; L96-Y149 HydrophobicContact CG-CD2 4.43Å; L96-Y149 HydrophobicContact CG-CE2 3.75Å; R97-Y149 HydrophobicContact CB-CE2 3.79Å; R97-Y149 HydrophobicContact CG-CE2 4.35Å; F100-Y149 HydrophobicContact CB-CD2 4.28Å; F100-Y149 HydrophobicContact CD1-CD2 4.36Å; F100-Y149 AromaticContact CD2-CD2 3.72Å; F100-Y149 HydrophobicContact CD2-CD2 3.72Å; F100-Y149 HydrophobicContact CD2-CE2 4.3Å; F100-Y149 HydrophobicContact CE2-CD2 4.19Å; F100-Y149 AromaticContact CG-CD2 3.84Å; F100-Y149 HydrophobicContact CG-CD2 3.84Å; Y149-G151 PolarHBondContact O-N 2.9Å; Y149-T152 PolarHBondContact O-N 3.48Å; Y149-S153 WeakPolarHBondContact O-CB 2.75Å; Y149-S153 PolarHBondContact O-N 3.4Å |
| 150 | N | 68.8 | Low | 70.3 | Confident | 112 Ų | 112 | 61.7 Ų | 61.7 | 60% | 0.599 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -65.5 | -41.4 | -174.1 | -69.5 | -29.2 | 0 | 0 | 0 | 112.2 | N148 N154 | N148-N150 PolarHBondContact O-N 3.04Å; N148-N150 PolarHBondContact OD1-N 2.72Å; N150-N154 PolarHBondContact O-N 3.22Å; N150-N154 VanDerWaalsContact O-N 3.09Å; N150-N154 PolarHBondContact O-ND2 2.9Å; N150-N154 VanDerWaalsContact O-ND2 3.11Å |
| 151 | G | 66.1 | Low | 68.9 | Low | 7 Ų | 7 | 69.2 Ų | 69.2 | 7% | 0.072 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L141 N148 Y149 N154 R155 | L141-G151 VanDerWaalsContact CD1-CA 3.45Å; L141-G151 WeakPolarHBondContact CD1-O 3.31Å; N148-G151 PolarHBondContact O-N 3.13Å; N148-G151 PolarHBondContact OD1-N 3.12Å; Y149-G151 PolarHBondContact O-N 2.9Å; G151-N154 PolarHBondContact O-N 2.69Å; G151-R155 WeakPolarHBondContact O-CG 2.94Å; G151-R155 PolarHBondContact O-N 3.39Å |
| 152 | T | 65.7 | Low | 67.4 | Low | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.012 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.2 | -40 | -179.7 | -50.9 | 0 | 0 | 0 | 0 | 112.3 | F100 V147 N148 Y149 R155 L156 I173 | F100-T152 HydrophobicContact CE2-CG2 3.59Å; F100-T152 HydrophobicContact CZ-CG2 3.53Å; F100-T152 WeakPolarHBondContact CZ-OG1 3.28Å; V147-T152 WeakPolarHBondContact CG1-OG1 3.49Å; N148-T152 PolarHBondContact O-N 3.03Å; N148-T152 VanDerWaalsContact O-N 3.13Å; N148-T152 PolarHBondContact O-OG1 3.21Å; Y149-T152 PolarHBondContact O-N 3.48Å; T152-R155 PolarHBondContact O-N 2.91Å; T152-L156 HydrophobicContact CG2-CD1 3.7Å; T152-L156 HydrophobicContact CG2-CG 4.32Å; T152-L156 WeakPolarHBondContact O-CB 3.36Å; T152-L156 WeakPolarHBondContact O-CD1 3.38Å; T152-L156 WeakPolarHBondContact O-CG 3.49Å; T152-L156 PolarHBondContact O-N 3Å; T152-I173 HydrophobicContact CG2-CD1 3.51Å |
| 153 | S | 64.7 | Low | 65.9 | Low | 17 Ų | 17 | 71.8 Ų | 71.8 | 12% | 0.119 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -54.1 | -53.6 | 169.6 | -180 | 0 | 0 | 0 | 0 | 110.9 | L96 Y149 R155 L156 F157 | L96-S153 VanDerWaalsContact CD2-CA 3.47Å; Y149-S153 WeakPolarHBondContact O-CB 2.75Å; Y149-S153 PolarHBondContact O-N 3.4Å; S153-R155 VanDerWaalsContact C-N 3.29Å; S153-R155 PolarHBondContact O-N 3.07Å; S153-L156 PolarHBondContact O-N 2.99Å; S153-F157 WeakPolarHBondContact O-CD2 3.3Å; S153-F157 PolarHBondContact O-N 3.2Å; S153-F157 VanDerWaalsContact O-N 3.15Å; S153-F157 WeakPolarHBondContact OG-CE2 3.33Å |
| 154 | N | 64.8 | Low | 64.3 | Low | 113 Ų | 113 | 73 Ų | 73 | 60% | 0.604 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.6 | -36.6 | 177.9 | -74.1 | -37 | 0 | 0 | 0 | 113.3 | N150 G151 A158 | N150-N154 PolarHBondContact O-N 3.22Å; N150-N154 VanDerWaalsContact O-N 3.09Å; N150-N154 PolarHBondContact O-ND2 2.9Å; N150-N154 VanDerWaalsContact O-ND2 3.11Å; G151-N154 PolarHBondContact O-N 2.69Å; N154-A158 WeakPolarHBondContact O-CB 3.44Å; N154-A158 PolarHBondContact O-N 2.9Å |
| 155 | R | 64 | Low | 62.7 | Low | 50 Ų | 50 | 73.6 Ų | 73.6 | 19% | 0.189 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -73.2 | -40.3 | 177 | -74.6 | -157.9 | 79.3 | 146.9 | -11.6 | 113.4 | E138 L141 G151 T152 S153 F157 A158 | E138-R155 PolarHBondContact O-NH1 2.82Å; L141-R155 HydrophobicContact CD1-CG 4.04Å; L141-R155 HydrophobicContact CD2-CG 3.99Å; L141-R155 HydrophobicContact CG-CG 4.29Å; G151-R155 WeakPolarHBondContact O-CG 2.94Å; G151-R155 PolarHBondContact O-N 3.39Å; T152-R155 PolarHBondContact O-N 2.91Å; S153-R155 VanDerWaalsContact C-N 3.29Å; S153-R155 PolarHBondContact O-N 3.07Å; R155-F157 VanDerWaalsContact C-N 3.25Å; R155-F157 PolarHBondContact O-N 3.16Å; R155-A158 PolarHBondContact O-N 3Å; R155-A158 VanDerWaalsContact O-O 3.14Å |
| 156 | L | 61.2 | Low | 61.1 | Low | 32 Ų | 32 | 71.9 Ų | 71.9 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.3 | -35.5 | 179.9 | -83.7 | 158.6 | 0 | 0 | 0 | 111.5 | L96 T152 S153 N170 I173 N174 | L96-L156 HydrophobicContact CD1-CD1 3.27Å; L96-L156 HydrophobicContact CD2-CD1 3.78Å; L96-L156 HydrophobicContact CG-CD1 4.17Å; T152-L156 HydrophobicContact CG2-CD1 3.7Å; T152-L156 HydrophobicContact CG2-CG 4.32Å; T152-L156 WeakPolarHBondContact O-CB 3.36Å; T152-L156 WeakPolarHBondContact O-CD1 3.38Å; T152-L156 WeakPolarHBondContact O-CG 3.49Å; T152-L156 PolarHBondContact O-N 3Å; S153-L156 PolarHBondContact O-N 2.99Å; L156-N170 HydrophobicContact CD2-CB 3.74Å; L156-N170 HydrophobicContact CG-CB 4.49Å; L156-I173 HydrophobicContact CD1-CG2 4.07Å; L156-N174 VanDerWaalsContact CD2-OD1 3.28Å; L156-N174 WeakPolarHBondContact CD2-OD1 3.04Å |
| 157 | F | 62.6 | Low | 59.8 | Low | 113 Ų | 113 | 72.7 Ų | 72.7 | 50% | 0.496 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -4.7 | 176.9 | -57.6 | -59.7 | 0 | 0 | 0 | 114 | S92 L96 S153 R155 | S92-F157 VanDerWaalsContact OG-CE1 3.22Å; S92-F157 WeakPolarHBondContact OG-CE1 3.36Å; S92-F157 WeakPolarHBondContact OG-CZ 3.25Å; L96-F157 HydrophobicContact CD2-CE2 4.38Å; S153-F157 WeakPolarHBondContact O-CD2 3.3Å; S153-F157 PolarHBondContact O-N 3.2Å; S153-F157 VanDerWaalsContact O-N 3.15Å; S153-F157 WeakPolarHBondContact OG-CE2 3.33Å; R155-F157 VanDerWaalsContact C-N 3.25Å; R155-F157 PolarHBondContact O-N 3.16Å |
| 158 | A | 56.1 | Low | 58.4 | Low | 54 Ų | 54 | 74.9 Ų | 74.9 | 45% | 0.446 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -96.3 | 112.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | N154 R155 D160 | N154-A158 WeakPolarHBondContact O-CB 3.44Å; N154-A158 PolarHBondContact O-N 2.9Å; R155-A158 PolarHBondContact O-N 3Å; R155-A158 VanDerWaalsContact O-O 3.14Å; A158-D160 PolarHBondContact O-N 3.35Å |
| 159 | N | 51.1 | Low | 57.4 | Low | 176 Ų | 176 | 73.8 Ų | 73.8 | 94% | 0.941 | 38% | 0.379 | S | S | * | . | trans | -66.4 | 75 | 172.6 | -76.6 | -15.1 | 0 | 0 | 0 | 111.4 | ||||
| 160 | D | 53.3 | Low | 56.7 | Low | 114 Ų | 114 | 73.1 Ų | 73.1 | 61% | 0.61 | 38% | 0.379 | S | S | * | . | trans | -114.3 | 110.1 | 174.1 | -153.7 | -23.6 | 0 | 0 | 0 | 110.3 | A158 N162 | A158-D160 PolarHBondContact O-N 3.35Å; D160-N162 PolarHBondContact O-N 3.22Å; D160-N162 VanDerWaalsContact O-N 3.14Å | ||
| 161 | E | 50.6 | Low | 56.3 | Low | 181 Ų | 181 | 72.7 Ų | 72.7 | 85% | 0.846 | 37% | 0.369 | S | S | * | . | trans | -71.8 | 0.9 | -174.5 | -66.5 | 179.2 | 179.8 | 0 | 0 | 113.8 | ||||
| 162 | N | 41.6 | Very low | 56.2 | Low | 128 Ų | 128 | 72.7 Ų | 72.7 | 68% | 0.684 | 37% | 0.367 | S | S | * | . | trans | -111.5 | 106.3 | -174.6 | -98.8 | -28.4 | 0 | 0 | 0 | 112.5 | D160 | D160-N162 PolarHBondContact O-N 3.22Å; D160-N162 VanDerWaalsContact O-N 3.14Å | ||
| 163 | K | 48.8 | Very low | 56.1 | Low | 116 Ų | 116 | 72.6 Ų | 72.6 | 50% | 0.504 | 37% | 0.366 | S | S | . | . | trans | 147.7 | 112.9 | 146.8 | -83.3 | 174.8 | -175.2 | -172.5 | 0 | 111.2 | E138 Y165 A166 Q167 | E138-K163 WeakPolarHBondContact OE2-CB 3.43Å; K163-Y165 PolarHBondContact O-N 3.41Å; K163-A166 HydrophobicContact CB-CB 4.46Å; K163-Q167 VanDerWaalsContact O-CG 3.27Å; K163-Q167 WeakPolarHBondContact O-CG 3.2Å; K163-Q167 PolarHBondContact O-N 3.1Å | ||
| 164 | C | 47.9 | Very low | 55.8 | Low | 87 Ų | 87 | 74.5 Ų | 74.5 | 59% | 0.588 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -24.1 | -163.3 | -166.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 165 | Y | 50.5 | Low | 55.6 | Low | 92 Ų | 92 | 71 Ų | 71 | 36% | 0.361 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -29.3 | -175.4 | -64.2 | -80.5 | 0 | 0 | 0 | 114 | E134 M135 E138 K163 Q167 L168 I169 | E134-Y165 HydrophobicContact CB-CD2 4.49Å; E134-Y165 HydrophobicContact CB-CG 4.49Å; E134-Y165 HydrophobicContact CG-CD2 3.67Å; E134-Y165 HydrophobicContact CG-CE2 4.11Å; E134-Y165 HydrophobicContact CG-CG 4.08Å; M135-Y165 HydrophobicContact CG-CD1 4.33Å; E138-Y165 VanDerWaalsContact OE2-C 3.28Å; E138-Y165 WeakPolarHBondContact OE2-CA 3.48Å; E138-Y165 WeakPolarHBondContact OE2-CB 3.39Å; E138-Y165 PolarHBondContact OE2-N 3.26Å; K163-Y165 PolarHBondContact O-N 3.41Å; Y165-Q167 PolarHBondContact O-N 3.13Å; Y165-L168 WeakPolarHBondContact O-CA 3.08Å; Y165-L168 VanDerWaalsContact O-CB 3.28Å; Y165-L168 WeakPolarHBondContact O-CB 3.48Å; Y165-L168 PolarHBondContact O-N 2.92Å; Y165-I169 PolarHBondContact O-N 3.18Å; Y165-I169 VanDerWaalsContact O-N 3.13Å |
| 166 | A | 48.5 | Very low | 55.6 | Low | 2 Ų | 2 | 68.7 Ų | 68.7 | 2% | 0.017 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.2 | -36 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | E138 K163 L168 I169 N170 | E138-A166 HydrophobicContact CB-CB 3.58Å; E138-A166 PolarHBondContact OE2-N 2.8Å; K163-A166 HydrophobicContact CB-CB 4.46Å; A166-L168 PolarHBondContact O-N 3.46Å; A166-I169 PolarHBondContact O-N 3.01Å; A166-N170 WeakPolarHBondContact O-CB 3.27Å; A166-N170 PolarHBondContact O-N 3.43Å |
| 167 | Q | 55 | Low | 55.6 | Low | 68 Ų | 68 | 68.2 Ų | 68.2 | 32% | 0.318 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58 | -33.5 | 167.7 | -76.9 | 174.1 | -12.1 | 0 | 0 | 111.6 | K163 Y165 R171 | K163-Q167 VanDerWaalsContact O-CG 3.27Å; K163-Q167 WeakPolarHBondContact O-CG 3.2Å; K163-Q167 PolarHBondContact O-N 3.1Å; Y165-Q167 PolarHBondContact O-N 3.13Å; Q167-R171 WeakPolarHBondContact O-CA 3.33Å; Q167-R171 WeakPolarHBondContact O-CB 3.19Å; Q167-R171 WeakPolarHBondContact O-CG 3.23Å; Q167-R171 PolarHBondContact O-N 3.33Å |
| 168 | L | 52.6 | Low | 55.6 | Low | 45 Ų | 45 | 63.8 Ų | 63.8 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.4 | -43.3 | 177 | -170 | 61.3 | 0 | 0 | 0 | 111.9 | M120 L127 M135 Y165 A166 N170 R171 V172 | M120-L168 HydrophobicContact CE-CD2 4.39Å; M120-L168 HydrophobicContact CE-CG 4.37Å; L127-L168 HydrophobicContact CD2-CD2 4.32Å; M135-L168 HydrophobicContact CE-CB 3.9Å; M135-L168 HydrophobicContact CE-CD2 3.75Å; M135-L168 HydrophobicContact CE-CG 3.57Å; M135-L168 HydrophobicContact CG-CB 4.47Å; M135-L168 HydrophobicContact CG-CD2 4.27Å; M135-L168 HydrophobicContact SD-CB 4.47Å; M135-L168 HydrophobicContact SD-CD2 3.58Å; M135-L168 VanDerWaalsContact SD-CD2 3.58Å; M135-L168 HydrophobicContact SD-CG 4.11Å; Y165-L168 WeakPolarHBondContact O-CA 3.08Å; Y165-L168 VanDerWaalsContact O-CB 3.28Å; Y165-L168 WeakPolarHBondContact O-CB 3.48Å; Y165-L168 PolarHBondContact O-N 2.92Å; A166-L168 PolarHBondContact O-N 3.46Å; L168-N170 PolarHBondContact O-N 3.1Å; L168-R171 PolarHBondContact O-N 2.94Å; L168-V172 HydrophobicContact CD1-CG2 4.37Å; L168-V172 HydrophobicContact CG-CG2 4.44Å; L168-V172 WeakPolarHBondContact O-CG2 3.34Å; L168-V172 PolarHBondContact O-N 3.48Å |
| 169 | I | 57.5 | Low | 55.8 | Low | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 171.9 | -73.3 | -177.3 | 0 | 0 | 0 | 110.4 | L116 M135 I136 A139 V147 Y165 A166 R171 V172 I173 | L116-I169 HydrophobicContact CD1-CG1 4.29Å; L116-I169 HydrophobicContact CD2-CD1 3.69Å; L116-I169 HydrophobicContact CD2-CG1 3.91Å; M135-I169 HydrophobicContact CB-CD1 3.79Å; M135-I169 HydrophobicContact CB-CG1 3.82Å; M135-I169 HydrophobicContact CE-CB 4.47Å; M135-I169 HydrophobicContact CE-CG1 3.52Å; M135-I169 HydrophobicContact CG-CG1 4.41Å; M135-I169 WeakPolarHBondContact O-CD1 3.44Å; I136-I169 HydrophobicContact CD1-CD1 4.46Å; A139-I169 HydrophobicContact CB-CB 4.35Å; A139-I169 HydrophobicContact CB-CD1 3.55Å; A139-I169 HydrophobicContact CB-CG2 4.17Å; V147-I169 HydrophobicContact CG2-CD1 4.15Å; Y165-I169 PolarHBondContact O-N 3.18Å; Y165-I169 VanDerWaalsContact O-N 3.13Å; A166-I169 PolarHBondContact O-N 3.01Å; I169-R171 VanDerWaalsContact C-N 3.31Å; I169-R171 PolarHBondContact O-N 3.06Å; I169-V172 PolarHBondContact O-N 3.18Å; I169-V172 VanDerWaalsContact O-N 3.13Å; I169-I173 HydrophobicContact CG2-CD1 3.48Å; I169-I173 VanDerWaalsContact CG2-CD1 3.48Å; I169-I173 HydrophobicContact CG2-CG1 4.15Å; I169-I173 WeakPolarHBondContact O-CB 3.37Å; I169-I173 VanDerWaalsContact O-CG1 3.3Å; I169-I173 WeakPolarHBondContact O-CG1 3.07Å; I169-I173 PolarHBondContact O-N 3.16Å |
| 170 | N | 58.5 | Low | 56.4 | Low | 24 Ų | 24 | 54.4 Ų | 54.4 | 13% | 0.128 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.1 | -37.6 | 177.5 | -73.9 | -14.2 | 0 | 0 | 0 | 111.8 | L156 A166 L168 N174 | L156-N170 HydrophobicContact CD2-CB 3.74Å; L156-N170 HydrophobicContact CG-CB 4.49Å; A166-N170 WeakPolarHBondContact O-CB 3.27Å; A166-N170 PolarHBondContact O-N 3.43Å; L168-N170 PolarHBondContact O-N 3.1Å; N170-N174 WeakPolarHBondContact O-CB 3.42Å; N170-N174 PolarHBondContact O-N 3.04Å; N170-N174 PolarHBondContact O-ND2 3.01Å |
| 171 | R | 61.7 | Low | 56.7 | Low | 103 Ų | 103 | 49.5 Ų | 49.5 | 39% | 0.389 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 173 | -82.6 | 173.5 | -164.5 | 178.4 | 9 | 110.8 | Q167 L168 I169 R175 | Q167-R171 WeakPolarHBondContact O-CA 3.33Å; Q167-R171 WeakPolarHBondContact O-CB 3.19Å; Q167-R171 WeakPolarHBondContact O-CG 3.23Å; Q167-R171 PolarHBondContact O-N 3.33Å; L168-R171 PolarHBondContact O-N 2.94Å; I169-R171 VanDerWaalsContact C-N 3.31Å; I169-R171 PolarHBondContact O-N 3.06Å; R171-R175 WeakPolarHBondContact O-CA 3.29Å; R171-R175 WeakPolarHBondContact O-CB 3.25Å; R171-R175 PolarHBondContact O-N 3.48Å |
| 172 | V | 62.8 | Low | 57 | Low | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.7 | -41 | -179.2 | -176 | 0 | 0 | 0 | 0 | 110.3 | F103 M120 L123 L168 I169 R175 L176 | F103-V172 HydrophobicContact CE1-CG1 3.99Å; F103-V172 HydrophobicContact CZ-CB 4.12Å; F103-V172 HydrophobicContact CZ-CG1 3.47Å; F103-V172 VanDerWaalsContact CZ-CG1 3.47Å; M120-V172 HydrophobicContact CE-CG2 3.5Å; M120-V172 VanDerWaalsContact CE-CG2 3.5Å; M120-V172 HydrophobicContact SD-CB 4Å; M120-V172 HydrophobicContact SD-CG1 3.54Å; M120-V172 VanDerWaalsContact SD-CG1 3.54Å; M120-V172 HydrophobicContact SD-CG2 3.28Å; M120-V172 WeakPolarHBondContact SD-CG2 3.36Å; L123-V172 HydrophobicContact CD1-CG1 3.8Å; L168-V172 HydrophobicContact CD1-CG2 4.37Å; L168-V172 HydrophobicContact CG-CG2 4.44Å; L168-V172 WeakPolarHBondContact O-CG2 3.34Å; L168-V172 PolarHBondContact O-N 3.48Å; I169-V172 PolarHBondContact O-N 3.18Å; I169-V172 VanDerWaalsContact O-N 3.13Å; V172-R175 CarbonylContact O-C 3.6Å; V172-R175 PolarHBondContact O-N 3.45Å; V172-L176 HydrophobicContact CG1-CD1 4.05Å; V172-L176 WeakPolarHBondContact O-CB 3.47Å; V172-L176 WeakPolarHBondContact O-CG 3.47Å; V172-L176 PolarHBondContact O-N 2.75Å |
| 173 | I | 63.2 | Low | 57.9 | Low | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.5 | -51.4 | 173.2 | -70.6 | 170.9 | 0 | 0 | 0 | 110.1 | L96 A99 F100 F103 T152 L156 I169 R175 L176 L177 | L96-I173 HydrophobicContact CD1-CG2 3.31Å; A99-I173 HydrophobicContact CB-CG2 4.21Å; F100-I173 HydrophobicContact CE2-CD1 3.74Å; F100-I173 HydrophobicContact CZ-CD1 3.92Å; F103-I173 HydrophobicContact CD2-CG1 4.41Å; F103-I173 HydrophobicContact CE2-CB 4.49Å; F103-I173 HydrophobicContact CE2-CG1 3.58Å; F103-I173 HydrophobicContact CZ-CG1 4.13Å; T152-I173 HydrophobicContact CG2-CD1 3.51Å; L156-I173 HydrophobicContact CD1-CG2 4.07Å; I169-I173 HydrophobicContact CG2-CD1 3.48Å; I169-I173 VanDerWaalsContact CG2-CD1 3.48Å; I169-I173 HydrophobicContact CG2-CG1 4.15Å; I169-I173 WeakPolarHBondContact O-CB 3.37Å; I169-I173 VanDerWaalsContact O-CG1 3.3Å; I169-I173 WeakPolarHBondContact O-CG1 3.07Å; I169-I173 PolarHBondContact O-N 3.16Å; I173-R175 VanDerWaalsContact C-N 3.27Å; I173-R175 PolarHBondContact O-N 3.17Å; I173-L176 CarbonylContact O-C 3.59Å; I173-L176 WeakPolarHBondContact O-CB 3.31Å; I173-L176 PolarHBondContact O-N 3.45Å; I173-L176 VanDerWaalsContact O-N 3.14Å; I173-L177 WeakPolarHBondContact O-CB 3.47Å; I173-L177 PolarHBondContact O-N 2.86Å |
| 174 | N | 59.7 | Low | 58.2 | Low | 58 Ų | 58 | 33 Ų | 33 | 31% | 0.31 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -57.7 | -43.8 | 175 | -75.2 | -17.4 | 0 | 0 | 0 | 110.1 | L156 N170 L176 L177 L178 | L156-N174 VanDerWaalsContact CD2-OD1 3.28Å; L156-N174 WeakPolarHBondContact CD2-OD1 3.04Å; N170-N174 WeakPolarHBondContact O-CB 3.42Å; N170-N174 PolarHBondContact O-N 3.04Å; N170-N174 PolarHBondContact O-ND2 3.01Å; N174-L176 VanDerWaalsContact C-N 3.32Å; N174-L176 PolarHBondContact O-N 3.1Å; N174-L177 CarbonylContact O-C 3.58Å; N174-L177 WeakPolarHBondContact O-CA 3.43Å; N174-L177 WeakPolarHBondContact O-CB 3.44Å; N174-L177 PolarHBondContact O-N 3.23Å; N174-L177 VanDerWaalsContact O-N 3.08Å; N174-L178 VanDerWaalsContact O-CD2 3.22Å; N174-L178 WeakPolarHBondContact O-CD2 3.18Å; N174-L178 WeakPolarHBondContact O-CG 3.42Å; N174-L178 PolarHBondContact O-N 3.41Å |
| 175 | R | 60.7 | Low | 58.2 | Low | 39 Ų | 39 | 32.3 Ų | 32.3 | 15% | 0.147 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.9 | -36.6 | 177.9 | -171.2 | 170.4 | -172.7 | -124.9 | 32.7 | 112.9 | A26 L29 R171 V172 I173 L178 L179 | A26-R175 HydrophobicContact CB-CG 4.45Å; L29-R175 VanDerWaalsContact CD1-CZ 3.49Å; L29-R175 VanDerWaalsContact CG-NH2 3.31Å; R171-R175 WeakPolarHBondContact O-CA 3.29Å; R171-R175 WeakPolarHBondContact O-CB 3.25Å; R171-R175 PolarHBondContact O-N 3.48Å; V172-R175 CarbonylContact O-C 3.6Å; V172-R175 PolarHBondContact O-N 3.45Å; I173-R175 VanDerWaalsContact C-N 3.27Å; I173-R175 PolarHBondContact O-N 3.17Å; R175-L178 PolarHBondContact O-N 3.25Å; R175-L179 WeakPolarHBondContact O-CD1 3.41Å; R175-L179 WeakPolarHBondContact O-CG 3.45Å; R175-L179 PolarHBondContact O-N 3.37Å |
| 176 | L | 62.6 | Low | 57.7 | Low | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.8 | -35.1 | 171.8 | -78.5 | 162.7 | 0 | 0 | 0 | 112.3 | L50 A99 V102 F103 V119 V172 I173 N174 L178 L179 Q180 | L50-L176 HydrophobicContact CD1-CD2 4.29Å; L50-L176 HydrophobicContact CD2-CD2 3.46Å; L50-L176 VanDerWaalsContact CD2-CD2 3.46Å; L50-L176 HydrophobicContact CG-CD2 4.48Å; A99-L176 HydrophobicContact CB-CB 4.11Å; V102-L176 HydrophobicContact CB-CD2 4.25Å; V102-L176 HydrophobicContact CG1-CD1 4.47Å; V102-L176 HydrophobicContact CG1-CD2 3.78Å; V102-L176 HydrophobicContact CG2-CD2 4.48Å; F103-L176 HydrophobicContact CD2-CD1 3.7Å; F103-L176 HydrophobicContact CE1-CD1 3.98Å; F103-L176 HydrophobicContact CE2-CD1 2.98Å; F103-L176 HydrophobicContact CE2-CG 4.39Å; F103-L176 HydrophobicContact CG-CD1 4.47Å; F103-L176 HydrophobicContact CZ-CD1 3.17Å; V119-L176 HydrophobicContact CG1-CD1 4.12Å; V172-L176 HydrophobicContact CG1-CD1 4.05Å; V172-L176 WeakPolarHBondContact O-CB 3.47Å; V172-L176 WeakPolarHBondContact O-CG 3.47Å; V172-L176 PolarHBondContact O-N 2.75Å; I173-L176 CarbonylContact O-C 3.59Å; I173-L176 WeakPolarHBondContact O-CB 3.31Å; I173-L176 PolarHBondContact O-N 3.45Å; I173-L176 VanDerWaalsContact O-N 3.14Å; N174-L176 VanDerWaalsContact C-N 3.32Å; N174-L176 PolarHBondContact O-N 3.1Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L176-L179 HydrophobicContact CD2-CD1 4.06Å; L176-L179 VanDerWaalsContact O-CB 3.31Å; L176-L179 WeakPolarHBondContact O-CB 3.42Å; L176-L179 PolarHBondContact O-N 3.27Å; L176-Q180 WeakPolarHBondContact O-CG 3.28Å; L176-Q180 PolarHBondContact O-N 2.84Å |
| 177 | L | 62 | Low | 57 | Low | 21 Ų | 21 | 44 Ų | 44 | 11% | 0.11 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 169.7 | -150.7 | 113.8 | 0 | 0 | 0 | 110.1 | E95 L96 A99 I173 N174 L179 Q180 L181 | E95-L177 HydrophobicContact CB-CD1 3.64Å; E95-L177 HydrophobicContact CB-CD2 3.91Å; E95-L177 HydrophobicContact CB-CG 3.65Å; E95-L177 VanDerWaalsContact O-CD1 3.31Å; E95-L177 WeakPolarHBondContact O-CD1 3.26Å; E95-L177 WeakPolarHBondContact OE2-CD2 3.24Å; L96-L177 HydrophobicContact CB-CD1 4.14Å; L96-L177 HydrophobicContact CD1-CD1 4.45Å; A99-L177 HydrophobicContact CB-CB 4.41Å; A99-L177 HydrophobicContact CB-CD1 4.16Å; I173-L177 WeakPolarHBondContact O-CB 3.47Å; I173-L177 PolarHBondContact O-N 2.86Å; N174-L177 CarbonylContact O-C 3.58Å; N174-L177 WeakPolarHBondContact O-CA 3.43Å; N174-L177 WeakPolarHBondContact O-CB 3.44Å; N174-L177 PolarHBondContact O-N 3.23Å; N174-L177 VanDerWaalsContact O-N 3.08Å; L177-L179 VanDerWaalsContact C-N 3.29Å; L177-L179 PolarHBondContact O-N 3.02Å; L177-Q180 PolarHBondContact O-N 2.88Å; L177-Q180 VanDerWaalsContact O-N 3.17Å; L177-L181 HydrophobicContact CD2-CD1 4.14Å; L177-L181 WeakPolarHBondContact O-CB 3.41Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 3.38Å; L177-L181 PolarHBondContact O-N 3.31Å |
| 178 | L | 61.8 | Low | 56.1 | Low | 20 Ų | 20 | 53.6 Ų | 53.6 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 177 | -44.9 | -166.9 | 0 | 0 | 0 | 111.4 | F23 A26 M83 N174 R175 L176 L181 L182 | F23-L178 HydrophobicContact CD1-CD1 3.57Å; F23-L178 HydrophobicContact CE1-CD1 3.61Å; F23-L178 HydrophobicContact CE1-CD2 4.11Å; F23-L178 HydrophobicContact CE1-CG 4.47Å; A26-L178 HydrophobicContact CB-CD1 3.81Å; M83-L178 HydrophobicContact CE-CB 3.62Å; M83-L178 HydrophobicContact CE-CD1 3.83Å; M83-L178 HydrophobicContact CE-CD2 3.09Å; M83-L178 HydrophobicContact CE-CG 3.58Å; M83-L178 HydrophobicContact SD-CB 4.09Å; N174-L178 VanDerWaalsContact O-CD2 3.22Å; N174-L178 WeakPolarHBondContact O-CD2 3.18Å; N174-L178 WeakPolarHBondContact O-CG 3.42Å; N174-L178 PolarHBondContact O-N 3.41Å; R175-L178 PolarHBondContact O-N 3.25Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L178-L181 WeakPolarHBondContact O-CB 3.3Å; L178-L181 PolarHBondContact O-N 3.16Å; L178-L182 WeakPolarHBondContact O-CD1 3.35Å; L178-L182 WeakPolarHBondContact O-CG 3.45Å; L178-L182 PolarHBondContact O-N 3.24Å |
| 179 | L | 61.7 | Low | 56.2 | Low | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 173.5 | -84.1 | 153.9 | 0 | 0 | 0 | 111.7 | F30 V46 L50 R175 L176 L177 L181 L182 I183 | F30-L179 HydrophobicContact CE1-CD2 3.25Å; F30-L179 HydrophobicContact CE1-CG 4.26Å; F30-L179 HydrophobicContact CE2-CD2 4.29Å; F30-L179 HydrophobicContact CE2-CG 4.49Å; F30-L179 HydrophobicContact CZ-CD2 3.11Å; F30-L179 HydrophobicContact CZ-CG 3.61Å; V46-L179 HydrophobicContact CG1-CD1 4.43Å; V46-L179 HydrophobicContact CG1-CD2 3.65Å; L50-L179 HydrophobicContact CD1-CB 4.25Å; L50-L179 HydrophobicContact CD1-CD1 3.52Å; L50-L179 HydrophobicContact CD1-CD2 3.66Å; L50-L179 HydrophobicContact CD1-CG 4.02Å; R175-L179 WeakPolarHBondContact O-CD1 3.41Å; R175-L179 WeakPolarHBondContact O-CG 3.45Å; R175-L179 PolarHBondContact O-N 3.37Å; L176-L179 HydrophobicContact CD2-CD1 4.06Å; L176-L179 VanDerWaalsContact O-CB 3.31Å; L176-L179 WeakPolarHBondContact O-CB 3.42Å; L176-L179 PolarHBondContact O-N 3.27Å; L177-L179 VanDerWaalsContact C-N 3.29Å; L177-L179 PolarHBondContact O-N 3.02Å; L179-L181 VanDerWaalsContact C-N 3.35Å; L179-L182 WeakPolarHBondContact O-CB 3.32Å; L179-L182 PolarHBondContact O-N 3Å; L179-I183 VanDerWaalsContact O-CD1 3.23Å; L179-I183 WeakPolarHBondContact O-CD1 3.37Å; L179-I183 WeakPolarHBondContact O-CG1 3.34Å; L179-I183 PolarHBondContact O-N 3.13Å |
| 180 | Q | 63.3 | Low | 56.2 | Low | 32 Ų | 32 | 56.7 Ų | 56.7 | 15% | 0.15 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69 | -36.4 | 177.4 | -75 | 177.4 | -29.8 | 0 | 0 | 112.4 | E95 E98 A99 L176 L177 L182 I183 G184 | E95-Q180 PolarHBondContact O-OE1 2.97Å; E98-Q180 VanDerWaalsContact C-CD 3.45Å; E98-Q180 VanDerWaalsContact CB-CD 3.47Å; E98-Q180 PolarHBondContact O-NE2 3.42Å; A99-Q180 VanDerWaalsContact CA-OE1 3.22Å; L176-Q180 WeakPolarHBondContact O-CG 3.28Å; L176-Q180 PolarHBondContact O-N 2.84Å; L177-Q180 PolarHBondContact O-N 2.88Å; L177-Q180 VanDerWaalsContact O-N 3.17Å; Q180-L182 VanDerWaalsContact C-N 3.31Å; Q180-L182 PolarHBondContact O-N 3.37Å; Q180-I183 PolarHBondContact O-N 2.85Å; Q180-G184 PolarHBondContact O-N 2.69Å; Q180-G184 VanDerWaalsContact O-N 3.07Å |
| 181 | L | 60.3 | Low | 56.1 | Low | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 172.3 | -78.2 | 175.4 | 0 | 0 | 0 | 112.8 | M83 K86 E95 L177 L178 L179 | M83-L181 HydrophobicContact CE-CD1 3.97Å; K86-L181 HydrophobicContact CB-CB 4.45Å; K86-L181 HydrophobicContact CB-CD1 3.79Å; K86-L181 HydrophobicContact CB-CD2 3.67Å; K86-L181 HydrophobicContact CB-CG 4.18Å; K86-L181 HydrophobicContact CD-CD2 3.59Å; K86-L181 VanDerWaalsContact CE-O 3.27Å; K86-L181 WeakPolarHBondContact CE-O 3.25Å; K86-L181 HydrophobicContact CG-CB 4.22Å; K86-L181 HydrophobicContact CG-CD1 4.45Å; K86-L181 HydrophobicContact CG-CD2 3.74Å; K86-L181 HydrophobicContact CG-CG 4.37Å; E95-L181 HydrophobicContact CG-CD2 4.36Å; E95-L181 WeakPolarHBondContact OE1-CD2 3.43Å; L177-L181 HydrophobicContact CD2-CD1 4.14Å; L177-L181 WeakPolarHBondContact O-CB 3.41Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 3.38Å; L177-L181 PolarHBondContact O-N 3.31Å; L178-L181 WeakPolarHBondContact O-CB 3.3Å; L178-L181 PolarHBondContact O-N 3.16Å; L179-L181 VanDerWaalsContact C-N 3.35Å |
| 182 | L | 56 | Low | 55.7 | Low | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68 | -39.2 | 173.3 | -78.5 | 157.1 | 0 | 0 | 0 | 112.8 | F30 I74 F79 M82 L178 L179 Q180 G184 | F30-L182 HydrophobicContact CE1-CD1 4.06Å; F30-L182 HydrophobicContact CE2-CD1 4.02Å; F30-L182 HydrophobicContact CZ-CD1 3.45Å; F30-L182 VanDerWaalsContact CZ-CD1 3.45Å; I74-L182 HydrophobicContact CD1-CD2 4.4Å; F79-L182 HydrophobicContact CD2-CD2 4.36Å; F79-L182 HydrophobicContact CE2-CD1 3.77Å; F79-L182 HydrophobicContact CE2-CD2 4.26Å; F79-L182 HydrophobicContact CE2-CG 4.49Å; F79-L182 HydrophobicContact CZ-CD1 4.45Å; M82-L182 HydrophobicContact CE-CD2 3.23Å; M82-L182 HydrophobicContact CE-CG 3.62Å; M82-L182 HydrophobicContact SD-CD2 3.42Å; M82-L182 WeakPolarHBondContact SD-CD2 3.32Å; M82-L182 HydrophobicContact SD-CG 4Å; L178-L182 WeakPolarHBondContact O-CD1 3.35Å; L178-L182 WeakPolarHBondContact O-CG 3.45Å; L178-L182 PolarHBondContact O-N 3.24Å; L179-L182 WeakPolarHBondContact O-CB 3.32Å; L179-L182 PolarHBondContact O-N 3Å; Q180-L182 VanDerWaalsContact C-N 3.31Å; Q180-L182 PolarHBondContact O-N 3.37Å; L182-G184 PolarHBondContact O-N 3.18Å |
| 183 | I | 60 | Low | 55.3 | Low | 49 Ų | 49 | 59.1 Ų | 59.1 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.4 | -21.9 | -178 | -64.1 | 160.1 | 0 | 0 | 0 | 111.2 | M47 M62 L179 Q180 | M47-I183 HydrophobicContact CE-CB 4.37Å; M47-I183 HydrophobicContact CE-CD1 3.82Å; M47-I183 HydrophobicContact CE-CG1 3.6Å; M47-I183 HydrophobicContact CE-CG2 3.82Å; M47-I183 HydrophobicContact CG-CD1 4.17Å; M47-I183 HydrophobicContact CG-CG1 4.26Å; M47-I183 HydrophobicContact SD-CD1 4.39Å; M47-I183 HydrophobicContact SD-CG1 3.94Å; M62-I183 HydrophobicContact CE-CB 4.1Å; M62-I183 HydrophobicContact CE-CG1 3.71Å; M62-I183 HydrophobicContact SD-CG2 4.48Å; L179-I183 VanDerWaalsContact O-CD1 3.23Å; L179-I183 WeakPolarHBondContact O-CD1 3.37Å; L179-I183 WeakPolarHBondContact O-CG1 3.34Å; L179-I183 PolarHBondContact O-N 3.13Å; Q180-I183 PolarHBondContact O-N 2.85Å |
| 184 | G | 55.4 | Low | 54.8 | Low | 23 Ų | 23 | 63 Ų | 63 | 24% | 0.237 | 33% | 0.325 | C | S | . | . | trans | 70.3 | 117.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q180 L182 D186 | Q180-G184 PolarHBondContact O-N 2.69Å; Q180-G184 VanDerWaalsContact O-N 3.07Å; L182-G184 PolarHBondContact O-N 3.18Å; G184-D186 PolarHBondContact O-N 3.02Å | ||
| 185 | A | 47.6 | Very low | 54.4 | Low | 72 Ų | 72 | 63.4 Ų | 63.4 | 60% | 0.595 | 33% | 0.326 | S | S | * | . | trans | -69 | 67.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109 | E187 | A185-E187 VanDerWaalsContact C-N 3.34Å; A185-E187 PolarHBondContact O-N 3.2Å | ||
| 186 | D | 39.9 | Very low | 53.9 | Low | 146 Ų | 146 | 65.2 Ų | 65.2 | 78% | 0.781 | 34% | 0.34 | S | S | * | . | trans | -97.3 | 69.5 | 170.2 | -148.3 | 4.7 | 0 | 0 | 0 | 108.7 | G184 | G184-D186 PolarHBondContact O-N 3.02Š| ||
| 187 | E | 35.7 | Very low | 53.2 | Low | 194 Ų | 194 | 70.5 Ų | 70.5 | 91% | 0.907 | 37% | 0.367 | S | S | * | . | trans | -122.2 | 83.2 | 151.9 | -77 | -159.4 | 163.4 | 0 | 0 | 108.6 | A185 | A185-E187 VanDerWaalsContact C-N 3.34Å; A185-E187 PolarHBondContact O-N 3.2Å | ||
| 188 | K | 34.6 | Very low | 52.4 | Low | 269 Ų | 269 | 75 Ų | 75 | 100% | 1.17 | 39% | 0.391 | S | S | * | . | trans | -123.5 | 0 | 144.8 | -87.6 | -163.6 | 179.8 | 179.9 | 0 | 111.1 |
Retrieved 188 of 188 residues in 964.3 ms
(Link to these results)