| 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 | N | 36.4 | Very low | 48.1 | Very low | 225 Ų | 225 | 105.1 Ų | 105.1 | 100% | 1.203 | 62% | 0.623 | S | S | * | * | 0 | 94.4 | 0 | -77.3 | -3.1 | 0 | 0 | 0 | 111.7 | |||||
| 2 | A | 31.2 | Very low | 50.7 | Low | 94 Ų | 94 | 96.5 Ų | 96.5 | 78% | 0.777 | 57% | 0.572 | S | S | * | * | trans | -145.1 | 110.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 104.7 | L4 | A2-L4 PolarHBondContact O-N 3.31Š| ||
| 3 | S | 36.6 | Very low | 52.9 | Low | 116 Ų | 116 | 89.8 Ų | 89.8 | 81% | 0.811 | 53% | 0.532 | S | S | * | . | trans | -54.6 | 111.4 | 177.5 | 43.7 | 0 | 0 | 0 | 0 | 110.4 | T5 | S3-T5 PolarHBondContact O-N 2.94Š| ||
| 4 | L | 41.2 | Very low | 54.6 | Low | 80 Ų | 80 | 89.6 Ų | 89.6 | 42% | 0.419 | 52% | 0.521 | S | S | . | . | trans | -62.3 | 111.5 | 167.1 | -79.8 | 150.1 | 0 | 0 | 0 | 107.8 | A2 V6 Q9 F17 | A2-L4 PolarHBondContact O-N 3.31Å; L4-V6 WeakPolarHBondContact O-CG2 3.49Å; L4-V6 PolarHBondContact O-N 2.94Å; L4-Q9 VanDerWaalsContact CD2-NE2 3.3Å; L4-F17 HydrophobicContact CD1-CE1 4.05Å; L4-F17 HydrophobicContact CD1-CE2 4.25Å; L4-F17 HydrophobicContact CD1-CZ 3.71Å | ||
| 5 | T | 38.8 | Very low | 56.3 | Low | 104 Ų | 104 | 84 Ų | 84 | 64% | 0.638 | 49% | 0.489 | S | S | * | . | trans | -64.4 | 103.2 | 170.3 | 45.6 | 0 | 0 | 0 | 0 | 108.7 | S3 F7 | S3-T5 PolarHBondContact O-N 2.94Å; T5-F7 PolarHBondContact O-N 3.2Å | ||
| 6 | V | 46.8 | Very low | 57.9 | Low | 72 Ų | 72 | 78.8 Ų | 78.8 | 44% | 0.436 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -8.2 | -173.9 | 179.1 | 0 | 0 | 0 | 0 | 114 | L4 K14 | L4-V6 WeakPolarHBondContact O-CG2 3.49Å; L4-V6 PolarHBondContact O-N 2.94Å; V6-K14 HydrophobicContact CG1-CD 4.02Å; V6-K14 HydrophobicContact CG1-CG 4.05Å |
| 7 | F | 41.3 | Very low | 59.4 | Low | 197 Ų | 197 | 78.2 Ų | 78.2 | 86% | 0.864 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -7.1 | -167.6 | -77.1 | -81.6 | 0 | 0 | 0 | 116.3 | T5 | T5-F7 PolarHBondContact O-N 3.2Š|
| 8 | S | 49.6 | Very low | 60.5 | Low | 101 Ų | 101 | 79.4 Ų | 79.4 | 71% | 0.706 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -122.6 | 15 | 179.3 | 74.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 9 | Q | 60.9 | Low | 61.3 | Low | 47 Ų | 47 | 79.4 Ų | 79.4 | 22% | 0.22 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -96.3 | 149.4 | -177.6 | -61.3 | -138.9 | -22.7 | 0 | 0 | 111.7 | L4 L13 | L4-Q9 VanDerWaalsContact CD2-NE2 3.3Å; Q9-L13 HydrophobicContact CB-CB 4.38Å |
| 10 | P | 70.9 | Confident | 62.2 | Low | 47 Ų | 47 | 78.3 Ų | 78.3 | 31% | 0.305 | 45% | 0.448 | S | S | . | . | trans | -49.1 | 142.9 | 172.2 | -27.6 | 34 | 0 | 0 | 0 | 112 | L12 L13 K14 V36 | P10-L12 VanDerWaalsContact C-N 3.25Å; P10-L12 PolarHBondContact O-N 3.16Å; P10-L13 HydrophobicContact CB-CD1 4.42Å; P10-L13 HydrophobicContact CG-CD1 3.98Å; P10-L13 PolarHBondContact O-N 3.39Å; P10-K14 PolarHBondContact O-N 3.42Å; P10-V36 HydrophobicContact CB-CG1 4.43Å; P10-V36 HydrophobicContact CG-CG1 4.39Å; P10-V36 HydrophobicContact CG-CG2 4.12Å | ||
| 11 | P | 74.9 | Confident | 62.9 | Low | 73 Ų | 73 | 75.9 Ų | 75.9 | 47% | 0.474 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -52.9 | -42.2 | -178.1 | -24.4 | 32.8 | 0 | 0 | 0 | 112.9 | L13 K14 A15 L27 E32 | P11-L13 PolarHBondContact O-N 3.06Å; P11-K14 PolarHBondContact O-N 2.94Å; P11-A15 PolarHBondContact O-N 3.44Å; P11-L27 HydrophobicContact CB-CD1 4.35Å; P11-L27 HydrophobicContact CB-CD2 4.22Å; P11-E32 WeakPolarHBondContact CB-OE1 3.24Å |
| 12 | L | 79.8 | Confident | 65 | Low | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -56 | -43.8 | 174 | -169.7 | 59.8 | 0 | 0 | 0 | 114 | P10 K14 A15 I16 V24 L27 I28 E32 V34 P44 L60 | P10-L12 VanDerWaalsContact C-N 3.25Å; P10-L12 PolarHBondContact O-N 3.16Å; L12-K14 VanDerWaalsContact C-N 3.35Å; L12-A15 PolarHBondContact O-N 3.45Å; L12-I16 HydrophobicContact CG-CD1 4.21Å; L12-I16 WeakPolarHBondContact O-CD1 3.47Å; L12-I16 VanDerWaalsContact O-CG1 3.24Å; L12-I16 WeakPolarHBondContact O-CG1 3.49Å; L12-I16 PolarHBondContact O-N 3.03Å; L12-I16 VanDerWaalsContact O-N 3.08Å; L12-V24 HydrophobicContact CD1-CG1 4.03Å; L12-L27 HydrophobicContact CD1-CB 4.2Å; L12-I28 HydrophobicContact CD1-CG1 4.24Å; L12-E32 WeakPolarHBondContact CB-OE2 3.49Å; L12-E32 PolarHBondContact N-OE2 3.4Å; L12-E32 VanDerWaalsContact N-OE2 3.15Å; L12-V34 HydrophobicContact CD2-CG1 4.41Å; L12-P44 HydrophobicContact CD2-CB 4.17Å; L12-P44 HydrophobicContact CD2-CG 3.86Å; L12-P44 HydrophobicContact CG-CB 4.45Å; L12-P44 HydrophobicContact CG-CG 4.4Å; L12-L60 HydrophobicContact CD2-CD2 4.47Å |
| 13 | L | 78.8 | Confident | 67.4 | Low | 10 Ų | 10 | 69.4 Ų | 69.4 | 5% | 0.052 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 178.7 | -88.5 | 163.2 | 0 | 0 | 0 | 111.4 | Q9 P10 P11 I16 F17 P44 A47 | Q9-L13 HydrophobicContact CB-CB 4.38Å; P10-L13 HydrophobicContact CB-CD1 4.42Å; P10-L13 HydrophobicContact CG-CD1 3.98Å; P10-L13 PolarHBondContact O-N 3.39Å; P11-L13 PolarHBondContact O-N 3.06Å; L13-I16 PolarHBondContact O-N 3.43Å; L13-F17 HydrophobicContact CD2-CE2 4.3Å; L13-F17 WeakPolarHBondContact O-CD2 3.17Å; L13-F17 PolarHBondContact O-N 3.39Å; L13-P44 HydrophobicContact CG-CG 4.49Å; L13-A47 HydrophobicContact CD2-CB 3.65Å |
| 14 | K | 76.8 | Confident | 69.5 | Low | 87 Ų | 87 | 63.9 Ų | 63.9 | 38% | 0.378 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 176 | -174 | 175 | 177.1 | -179.4 | 0 | 111.9 | V6 P10 P11 L12 I16 F17 N18 | V6-K14 HydrophobicContact CG1-CD 4.02Å; V6-K14 HydrophobicContact CG1-CG 4.05Å; P10-K14 PolarHBondContact O-N 3.42Å; P11-K14 PolarHBondContact O-N 2.94Å; L12-K14 VanDerWaalsContact C-N 3.35Å; K14-I16 VanDerWaalsContact C-N 3.34Å; K14-F17 PolarHBondContact O-N 3.39Å; K14-N18 VanDerWaalsContact O-CG 3.29Å; K14-N18 PolarHBondContact O-N 3.4Å; K14-N18 VanDerWaalsContact O-N 3.11Å |
| 15 | A | 79.9 | Confident | 71.5 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P11 L12 N18 V19 D23 V24 L27 | P11-A15 PolarHBondContact O-N 3.44Å; L12-A15 PolarHBondContact O-N 3.45Å; A15-N18 PolarHBondContact O-N 2.76Å; A15-V19 PolarHBondContact O-N 3.33Å; A15-D23 HydrophobicContact CB-CB 4.29Å; A15-V24 HydrophobicContact CB-CG2 3.8Å; A15-L27 HydrophobicContact CB-CD1 3.6Å |
| 16 | I | 83.2 | Confident | 73.6 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 175.9 | -67.2 | 164.7 | 0 | 0 | 0 | 111.6 | L12 L13 K14 N18 V19 V24 P44 A47 A48 L51 I56 L60 | L12-I16 HydrophobicContact CG-CD1 4.21Å; L12-I16 WeakPolarHBondContact O-CD1 3.47Å; L12-I16 VanDerWaalsContact O-CG1 3.24Å; L12-I16 WeakPolarHBondContact O-CG1 3.49Å; L12-I16 PolarHBondContact O-N 3.03Å; L12-I16 VanDerWaalsContact O-N 3.08Å; L13-I16 PolarHBondContact O-N 3.43Å; K14-I16 VanDerWaalsContact C-N 3.34Å; I16-N18 PolarHBondContact O-N 2.94Å; I16-V19 PolarHBondContact O-N 3.26Å; I16-V24 HydrophobicContact CG1-CG2 3.88Å; I16-P44 HydrophobicContact CD1-CB 3.53Å; I16-A47 HydrophobicContact CG2-CB 4.11Å; I16-A48 HydrophobicContact CG2-CB 4.03Å; I16-L51 HydrophobicContact CG2-CD1 3.92Å; I16-L51 WeakPolarHBondContact O-CD1 3.25Å; I16-I56 HydrophobicContact CG1-CG2 3.98Å; I16-I56 HydrophobicContact CG2-CG2 4.39Å; I16-L60 HydrophobicContact CD1-CD1 3.9Å; I16-L60 HydrophobicContact CD1-CD2 4.49Å |
| 17 | F | 81.9 | Confident | 75.2 | Confident | 69 Ų | 69 | 60.6 Ų | 60.6 | 30% | 0.303 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.1 | -21.4 | 176.2 | -77.7 | -63.6 | 0 | 0 | 0 | 113.8 | L4 L13 K14 V19 A47 L51 | L4-F17 HydrophobicContact CD1-CE1 4.05Å; L4-F17 HydrophobicContact CD1-CE2 4.25Å; L4-F17 HydrophobicContact CD1-CZ 3.71Å; L13-F17 HydrophobicContact CD2-CE2 4.3Å; L13-F17 WeakPolarHBondContact O-CD2 3.17Å; L13-F17 PolarHBondContact O-N 3.39Å; K14-F17 PolarHBondContact O-N 3.39Å; F17-V19 VanDerWaalsContact C-N 3.33Å; F17-A47 HydrophobicContact CE2-CB 4.25Å; F17-A47 HydrophobicContact CZ-CB 3.98Å; F17-L51 HydrophobicContact CD1-CD1 4.1Å; F17-L51 HydrophobicContact CD1-CD2 4.27Å; F17-L51 HydrophobicContact CD1-CG 4.49Å |
| 18 | N | 80.4 | Confident | 77.1 | Confident | 101 Ų | 101 | 52.5 Ų | 52.5 | 54% | 0.54 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -6.2 | 172.9 | -70.5 | -10.6 | 0 | 0 | 0 | 113.3 | K14 A15 I16 D20 | K14-N18 VanDerWaalsContact O-CG 3.29Å; K14-N18 PolarHBondContact O-N 3.4Å; K14-N18 VanDerWaalsContact O-N 3.11Å; A15-N18 PolarHBondContact O-N 2.76Å; I16-N18 PolarHBondContact O-N 2.94Å; N18-D20 VanDerWaalsContact C-N 3.29Å; N18-D20 PolarHBondContact O-N 3.43Å |
| 19 | V | 74.6 | Confident | 78.6 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 48% | 0.479 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 40.4 | 178.1 | -159.3 | 0 | 0 | 0 | 0 | 112.1 | A15 I16 F17 P21 D53 | A15-V19 PolarHBondContact O-N 3.33Å; I16-V19 PolarHBondContact O-N 3.26Å; F17-V19 VanDerWaalsContact C-N 3.33Å; V19-P21 WeakPolarHBondContact O-CD 3.05Å; V19-D53 VanDerWaalsContact CG1-OD2 3.23Å; V19-D53 WeakPolarHBondContact CG1-OD2 3.28Å |
| 20 | D | 79.6 | Confident | 79.6 | Confident | 57 Ų | 57 | 61.2 Ų | 61.2 | 31% | 0.305 | 31% | 0.312 | S | S | . | . | trans | -108.6 | 101.6 | 177 | -171.7 | -28.7 | 0 | 0 | 0 | 110.2 | N18 D22 D23 V24 | N18-D20 VanDerWaalsContact C-N 3.29Å; N18-D20 PolarHBondContact O-N 3.43Å; D20-D22 VanDerWaalsContact C-N 3.28Å; D20-D22 PolarHBondContact O-N 3.06Å; D20-D22 PolarHBondContact OD1-N 3.46Å; D20-D23 HydrophobicContact CB-CB 3.96Å; D20-D23 PolarHBondContact OD1-N 3.38Å; D20-V24 VanDerWaalsContact O-CG2 3.3Å; D20-V24 WeakPolarHBondContact O-CG2 3.18Å; D20-V24 PolarHBondContact O-N 3.26Å; D20-V24 VanDerWaalsContact O-N 3.13Å | ||
| 21 | P | 77.3 | Confident | 79.9 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.2 | -30.6 | -178.2 | -18 | 30.6 | 0 | 0 | 0 | 113 | V19 V24 R25 E55 | V19-P21 WeakPolarHBondContact O-CD 3.05Å; P21-V24 PolarHBondContact O-N 2.95Å; P21-R25 VanDerWaalsContact O-CG 3.31Å; P21-R25 WeakPolarHBondContact O-CG 3.5Å; P21-R25 PolarHBondContact O-N 3.23Å; P21-E55 HydrophobicContact CB-CG 4.47Å |
| 22 | D | 81.1 | Confident | 80.1 | Confident | 102 Ų | 102 | 67.5 Ų | 67.5 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -77.6 | -37.6 | -176.4 | -72.1 | -34.4 | 0 | 0 | 0 | 111.3 | D20 R25 S26 | D20-D22 VanDerWaalsContact C-N 3.28Å; D20-D22 PolarHBondContact O-N 3.06Å; D20-D22 PolarHBondContact OD1-N 3.46Å; D22-R25 PolarHBondContact O-N 3.47Å; D22-R25 IonicContact OD1-CZ 3.19Å; D22-R25 IonicContact OD1-NH1 2.72Å; D22-R25 PolarHBondContact OD1-NH1 3.38Å; D22-S26 WeakPolarHBondContact O-CB 3.35Å; D22-S26 PolarHBondContact O-N 2.72Å |
| 23 | D | 81.1 | Confident | 80.3 | Confident | 82 Ų | 82 | 72.4 Ų | 72.4 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 169.2 | -88.1 | -6.6 | 0 | 0 | 0 | 111.4 | A15 D20 S26 L27 | A15-D23 HydrophobicContact CB-CB 4.29Å; D20-D23 HydrophobicContact CB-CB 3.96Å; D20-D23 PolarHBondContact OD1-N 3.38Å; D23-S26 PolarHBondContact O-N 3.21Å; D23-L27 VanDerWaalsContact O-CG 3.28Å; D23-L27 WeakPolarHBondContact O-CG 3.32Å; D23-L27 PolarHBondContact O-N 3.49Å |
| 24 | V | 80.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 174.1 | 176 | 0 | 0 | 0 | 0 | 111 | L12 A15 I16 D20 P21 S26 L27 I28 I56 L59 | L12-V24 HydrophobicContact CD1-CG1 4.03Å; A15-V24 HydrophobicContact CB-CG2 3.8Å; I16-V24 HydrophobicContact CG1-CG2 3.88Å; D20-V24 VanDerWaalsContact O-CG2 3.3Å; D20-V24 WeakPolarHBondContact O-CG2 3.18Å; D20-V24 PolarHBondContact O-N 3.26Å; D20-V24 VanDerWaalsContact O-N 3.13Å; P21-V24 PolarHBondContact O-N 2.95Å; V24-S26 PolarHBondContact O-N 3.4Å; V24-L27 PolarHBondContact O-N 3.25Å; V24-I28 HydrophobicContact CG1-CD1 3.75Å; V24-I28 HydrophobicContact CG1-CG1 4.39Å; V24-I28 VanDerWaalsContact O-CG1 3.25Å; V24-I28 WeakPolarHBondContact O-CG1 3.41Å; V24-I28 PolarHBondContact O-N 3.3Å; V24-I56 HydrophobicContact CG1-CG2 4.48Å; V24-I56 HydrophobicContact CG2-CD1 4.38Å; V24-L59 HydrophobicContact CB-CD2 4.26Å; V24-L59 HydrophobicContact CG1-CD2 3.76Å |
| 25 | R | 82.4 | Confident | 81.1 | Confident | 109 Ų | 109 | 70 Ų | 70 | 41% | 0.411 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 173.8 | -77.4 | 175.6 | -173 | 139 | 6.9 | 111.9 | P21 D22 L27 I28 F29 E55 L59 | P21-R25 VanDerWaalsContact O-CG 3.31Å; P21-R25 WeakPolarHBondContact O-CG 3.5Å; P21-R25 PolarHBondContact O-N 3.23Å; D22-R25 PolarHBondContact O-N 3.47Å; D22-R25 IonicContact OD1-CZ 3.19Å; D22-R25 IonicContact OD1-NH1 2.72Å; D22-R25 PolarHBondContact OD1-NH1 3.38Å; R25-L27 PolarHBondContact O-N 3.06Å; R25-I28 PolarHBondContact O-N 2.99Å; R25-F29 WeakPolarHBondContact O-CB 3.46Å; R25-F29 PolarHBondContact O-N 2.88Å; R25-E55 IonicContact CZ-OE1 2.81Å; R25-E55 IonicContact NH2-OE1 2.72Å; R25-E55 PolarHBondContact NH2-OE1 3.38Å; R25-L59 HydrophobicContact CB-CD2 4.4Å; R25-L59 HydrophobicContact CG-CD1 3.84Å; R25-L59 HydrophobicContact CG-CD2 3.49Å; R25-L59 VanDerWaalsContact CG-CD2 3.49Å; R25-L59 HydrophobicContact CG-CG 4.31Å |
| 26 | S | 83 | Confident | 81.4 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 179.3 | -177 | 0 | 0 | 0 | 0 | 112 | D22 D23 V24 F29 K30 | D22-S26 WeakPolarHBondContact O-CB 3.35Å; D22-S26 PolarHBondContact O-N 2.72Å; D23-S26 PolarHBondContact O-N 3.21Å; V24-S26 PolarHBondContact O-N 3.4Å; S26-F29 PolarHBondContact O-N 3.29Å; S26-K30 WeakPolarHBondContact O-CG 3.3Å; S26-K30 PolarHBondContact O-N 3.41Å; S26-K30 VanDerWaalsContact O-N 3.16Å |
| 27 | L | 81.4 | Confident | 81.5 | Confident | 25 Ų | 25 | 76.7 Ų | 76.7 | 13% | 0.131 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -71.4 | -36.7 | 178.6 | -68.1 | 170.3 | 0 | 0 | 0 | 112.7 | P11 L12 A15 D23 V24 R25 K30 E32 | P11-L27 HydrophobicContact CB-CD1 4.35Å; P11-L27 HydrophobicContact CB-CD2 4.22Å; L12-L27 HydrophobicContact CD1-CB 4.2Å; A15-L27 HydrophobicContact CB-CD1 3.6Å; D23-L27 VanDerWaalsContact O-CG 3.28Å; D23-L27 WeakPolarHBondContact O-CG 3.32Å; D23-L27 PolarHBondContact O-N 3.49Å; V24-L27 PolarHBondContact O-N 3.25Å; R25-L27 PolarHBondContact O-N 3.06Å; L27-K30 PolarHBondContact O-N 2.86Å; L27-E32 PolarHBondContact O-N 3.32Å |
| 28 | I | 80.6 | Confident | 81.5 | Confident | 28 Ų | 28 | 75.2 Ų | 75.2 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 173 | -67.6 | 169.7 | 0 | 0 | 0 | 110.7 | L12 V24 R25 K30 K31 V34 L59 L60 S63 | L12-I28 HydrophobicContact CD1-CG1 4.24Å; V24-I28 HydrophobicContact CG1-CD1 3.75Å; V24-I28 HydrophobicContact CG1-CG1 4.39Å; V24-I28 VanDerWaalsContact O-CG1 3.25Å; V24-I28 WeakPolarHBondContact O-CG1 3.41Å; V24-I28 PolarHBondContact O-N 3.3Å; R25-I28 PolarHBondContact O-N 2.99Å; I28-K30 PolarHBondContact O-N 3.24Å; I28-K31 WeakPolarHBondContact O-CA 3.26Å; I28-K31 PolarHBondContact O-N 3.31Å; I28-V34 HydrophobicContact CD1-CG1 4.48Å; I28-V34 HydrophobicContact CG1-CG1 4.06Å; I28-L59 HydrophobicContact CD1-CD2 4Å; I28-L59 HydrophobicContact CD1-CG 3.89Å; I28-L60 HydrophobicContact CD1-CD2 4.06Å; I28-S63 WeakPolarHBondContact CG2-OG 3.47Å |
| 29 | F | 80.3 | Confident | 81.7 | Confident | 187 Ų | 187 | 78.7 Ų | 78.7 | 82% | 0.82 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.2 | -30.4 | 176.3 | -169.8 | -94.5 | 0 | 0 | 0 | 112.5 | R25 S26 K31 | R25-F29 WeakPolarHBondContact O-CB 3.46Å; R25-F29 PolarHBondContact O-N 2.88Å; S26-F29 PolarHBondContact O-N 3.29Å; F29-K31 PolarHBondContact O-N 3.34Å |
| 30 | K | 81.9 | Confident | 82 | Confident | 144 Ų | 144 | 78.5 Ų | 78.5 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 7.4 | 172.1 | -70.3 | 172.3 | -175.5 | 172.3 | 0 | 114.1 | S26 L27 I28 | S26-K30 WeakPolarHBondContact O-CG 3.3Å; S26-K30 PolarHBondContact O-N 3.41Å; S26-K30 VanDerWaalsContact O-N 3.16Å; L27-K30 PolarHBondContact O-N 2.86Å; I28-K30 PolarHBondContact O-N 3.24Å |
| 31 | K | 77.9 | Confident | 82.3 | Confident | 194 Ų | 194 | 81.5 Ų | 81.5 | 84% | 0.843 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 34.7 | -179.2 | -60.6 | -175 | 175.2 | -178.5 | 0 | 114.2 | I28 F29 | I28-K31 WeakPolarHBondContact O-CA 3.26Å; I28-K31 PolarHBondContact O-N 3.31Å; F29-K31 PolarHBondContact O-N 3.34Å |
| 32 | E | 80.1 | Confident | 82.7 | Confident | 58 Ų | 58 | 83.4 Ų | 83.4 | 27% | 0.271 | 40% | 0.4 | S | S | . | . | trans | -64.4 | 145.2 | 167.2 | -69.4 | -162.6 | 173.6 | 0 | 0 | 111.1 | P11 L12 L27 V34 | P11-E32 WeakPolarHBondContact CB-OE1 3.24Å; L12-E32 WeakPolarHBondContact CB-OE2 3.49Å; L12-E32 PolarHBondContact N-OE2 3.4Å; L12-E32 VanDerWaalsContact N-OE2 3.15Å; L27-E32 PolarHBondContact O-N 3.32Å; E32-V34 PolarHBondContact O-N 3.49Å; E32-V34 VanDerWaalsContact O-N 3.13Å | ||
| 33 | D | 82.8 | Confident | 83.2 | Confident | 104 Ų | 104 | 78.7 Ų | 78.7 | 56% | 0.556 | 38% | 0.375 | S | S | * | . | trans | -72.4 | 106.4 | -179.4 | -177.3 | 6.3 | 0 | 0 | 0 | 111.2 | N35 V36 | D33-N35 PolarHBondContact O-N 3.11Å; D33-N35 WeakPolarHBondContact OD1-CA 3.42Å; D33-N35 PolarHBondContact OD1-N 2.8Å; D33-V36 WeakPolarHBondContact O-CB 3.41Å; D33-V36 WeakPolarHBondContact O-CG1 3.34Å; D33-V36 PolarHBondContact O-N 3.38Å | ||
| 34 | V | 84.9 | Confident | 83.5 | Confident | 12 Ų | 12 | 74.8 Ų | 74.8 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -13.2 | 177.8 | -61.3 | 0 | 0 | 0 | 0 | 113.8 | L12 I28 E32 P44 L60 A65 | L12-V34 HydrophobicContact CD2-CG1 4.41Å; I28-V34 HydrophobicContact CD1-CG1 4.48Å; I28-V34 HydrophobicContact CG1-CG1 4.06Å; E32-V34 PolarHBondContact O-N 3.49Å; E32-V34 VanDerWaalsContact O-N 3.13Å; V34-P44 WeakPolarHBondContact O-CG 3.47Å; V34-L60 HydrophobicContact CB-CD2 4.48Å; V34-L60 HydrophobicContact CG1-CD2 4.36Å; V34-A65 HydrophobicContact CG2-CB 4.44Å |
| 35 | N | 87.8 | Confident | 84 | Confident | 36 Ų | 36 | 74.8 Ų | 74.8 | 19% | 0.193 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 15.5 | 177.9 | -68.3 | -65.8 | 0 | 0 | 0 | 113.1 | D33 Q37 G64 A65 R66 | D33-N35 PolarHBondContact O-N 3.11Å; D33-N35 WeakPolarHBondContact OD1-CA 3.42Å; D33-N35 PolarHBondContact OD1-N 2.8Å; N35-Q37 PolarHBondContact O-N 3.25Å; N35-G64 PolarHBondContact ND2-O 3.49Å; N35-A65 WeakPolarHBondContact OD1-CA 3.15Å; N35-R66 WeakPolarHBondContact OD1-CG 3.16Å; N35-R66 PolarHBondContact OD1-N 3.11Å |
| 36 | V | 85.3 | Confident | 84.4 | Confident | 39 Ų | 39 | 69.9 Ų | 69.9 | 24% | 0.236 | 34% | 0.336 | C | S | . | . | trans | -51.5 | 135.4 | 175.6 | 65.9 | 0 | 0 | 0 | 0 | 110.7 | P10 D33 T43 P44 | P10-V36 HydrophobicContact CB-CG1 4.43Å; P10-V36 HydrophobicContact CG-CG1 4.39Å; P10-V36 HydrophobicContact CG-CG2 4.12Å; D33-V36 WeakPolarHBondContact O-CB 3.41Å; D33-V36 WeakPolarHBondContact O-CG1 3.34Å; D33-V36 PolarHBondContact O-N 3.38Å; V36-T43 WeakPolarHBondContact O-CA 3.37Å; V36-P44 HydrophobicContact CG1-CG 3.57Å; V36-P44 WeakPolarHBondContact O-CD 3.45Å | ||
| 37 | Q | 85.7 | Confident | 84.6 | Confident | 106 Ų | 106 | 67.9 Ų | 67.9 | 50% | 0.495 | 32% | 0.322 | S | S | . | . | trans | -111.4 | 135.1 | -179.3 | -71.2 | -174.1 | -9.7 | 0 | 0 | 110.2 | N35 R42 T43 | N35-Q37 PolarHBondContact O-N 3.25Å; Q37-R42 WeakPolarHBondContact CA-O 3.35Å; Q37-T43 HydrophobicContact CG-CG2 4.15Å | ||
| 38 | D | 83.3 | Confident | 85 | Confident | 37 Ų | 37 | 66.7 Ų | 66.7 | 20% | 0.198 | 32% | 0.316 | C | S | . | . | trans | -82.2 | -177.2 | 169.2 | 74.8 | 0.6 | 0 | 0 | 0 | 112.3 | E40 K41 R42 | D38-E40 PolarHBondContact O-N 2.93Å; D38-E40 VanDerWaalsContact O-N 3.09Å; D38-E40 VanDerWaalsContact OD1-C 3.28Å; D38-E40 WeakPolarHBondContact OD1-CA 3.46Å; D38-E40 WeakPolarHBondContact OD1-CB 3.39Å; D38-E40 PolarHBondContact OD1-N 3.26Å; D38-K41 WeakPolarHBondContact O-CA 3.28Å; D38-K41 PolarHBondContact O-N 3.18Å; D38-K41 PolarHBondContact OD1-N 3.21Å; D38-K41 VanDerWaalsContact OD1-N 3.09Å; D38-R42 PolarHBondContact N-O 3.38Å; D38-R42 VanDerWaalsContact N-O 3.11Å; D38-R42 WeakPolarHBondContact OD1-CB 3.38Å; D38-R42 PolarHBondContact OD1-N 2.88Å; D38-R42 IonicContact OD1-NE 3.71Å; D38-R42 IonicContact OD2-CZ 3.56Å; D38-R42 IonicContact OD2-NE 2.88Å; D38-R42 PolarHBondContact OD2-NE 3.18Å; D38-R42 IonicContact OD2-NH2 3.6Å; D38-R42 PolarHBondContact OD2-NH2 3.27Å | ||
| 39 | N | 83.4 | Confident | 85.5 | Confident | 175 Ų | 175 | 65.3 Ų | 65.3 | 94% | 0.936 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21.5 | 178.6 | -65.9 | -12 | 0 | 0 | 0 | 113.6 | ||
| 40 | E | 81.4 | Confident | 85.9 | Confident | 74 Ų | 74 | 63 Ų | 63 | 35% | 0.346 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 10.8 | 175.5 | -65.6 | -172.3 | 179.7 | 0 | 0 | 112.5 | D38 R42 S72 | D38-E40 PolarHBondContact O-N 2.93Å; D38-E40 VanDerWaalsContact O-N 3.09Å; D38-E40 VanDerWaalsContact OD1-C 3.28Å; D38-E40 WeakPolarHBondContact OD1-CA 3.46Å; D38-E40 WeakPolarHBondContact OD1-CB 3.39Å; D38-E40 PolarHBondContact OD1-N 3.26Å; E40-R42 HydrophobicContact CB-CG 4.03Å; E40-R42 PolarHBondContact O-N 3.04Å; E40-R42 IonicContact OE2-CZ 2.67Å; E40-R42 IonicContact OE2-NE 3.74Å; E40-R42 PolarHBondContact OE2-NE 3.27Å; E40-R42 IonicContact OE2-NH1 2.95Å; E40-R42 PolarHBondContact OE2-NH1 2.65Å; E40-R42 IonicContact OE2-NH2 3.31Å; E40-S72 WeakPolarHBondContact O-CB 3.1Å; E40-S72 PolarHBondContact O-N 3.14Å; E40-S72 PolarHBondContact O-OG 2.94Å; E40-S72 VanDerWaalsContact O-OG 3.13Å |
| 41 | K | 85.1 | Confident | 86.2 | Confident | 120 Ų | 120 | 59.1 Ų | 59.1 | 52% | 0.522 | 28% | 0.282 | S | S | . | . | trans | 60.5 | 21.3 | -174.7 | -54.3 | -173.5 | 177.8 | -173.1 | 0 | 114.5 | D38 | D38-K41 WeakPolarHBondContact O-CA 3.28Å; D38-K41 PolarHBondContact O-N 3.18Å; D38-K41 PolarHBondContact OD1-N 3.21Å; D38-K41 VanDerWaalsContact OD1-N 3.09Å | ||
| 42 | R | 86.9 | Confident | 86.6 | Confident | 68 Ų | 68 | 50.5 Ų | 50.5 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | trans | -79.6 | 140 | 176.5 | -59.2 | 175.9 | -62.4 | -163.7 | 4.9 | 109.4 | Q37 D38 E40 H46 D71 | Q37-R42 WeakPolarHBondContact CA-O 3.35Å; D38-R42 PolarHBondContact N-O 3.38Å; D38-R42 VanDerWaalsContact N-O 3.11Å; D38-R42 WeakPolarHBondContact OD1-CB 3.38Å; D38-R42 PolarHBondContact OD1-N 2.88Å; D38-R42 IonicContact OD1-NE 3.71Å; D38-R42 IonicContact OD2-CZ 3.56Å; D38-R42 IonicContact OD2-NE 2.88Å; D38-R42 PolarHBondContact OD2-NE 3.18Å; D38-R42 IonicContact OD2-NH2 3.6Å; D38-R42 PolarHBondContact OD2-NH2 3.27Å; E40-R42 HydrophobicContact CB-CG 4.03Å; E40-R42 PolarHBondContact O-N 3.04Å; E40-R42 IonicContact OE2-CZ 2.67Å; E40-R42 IonicContact OE2-NE 3.74Å; E40-R42 PolarHBondContact OE2-NE 3.27Å; E40-R42 IonicContact OE2-NH1 2.95Å; E40-R42 PolarHBondContact OE2-NH1 2.65Å; E40-R42 IonicContact OE2-NH2 3.31Å; R42-H46 HydrophobicContact CB-CB 4.3Å; R42-D71 HydrophobicContact CG-CB 3.76Å | ||
| 43 | T | 90.3 | Very high | 87 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | trans | -100.2 | 162.2 | 177.3 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | V36 Q37 L45 H46 A47 A69 | V36-T43 WeakPolarHBondContact O-CA 3.37Å; Q37-T43 HydrophobicContact CG-CG2 4.15Å; T43-L45 PolarHBondContact O-N 3.43Å; T43-L45 VanDerWaalsContact O-N 3.11Å; T43-H46 PolarHBondContact N-ND1 3.44Å; T43-H46 WeakPolarHBondContact O-CA 3.31Å; T43-H46 WeakPolarHBondContact O-CB 3.29Å; T43-H46 PolarHBondContact O-N 3.47Å; T43-H46 PolarHBondContact OG1-ND1 3Å; T43-A47 PolarHBondContact O-N 3.24Å; T43-A69 HydrophobicContact CG2-CB 4Å | ||
| 44 | P | 88.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -46.1 | -38.3 | 168.1 | -32.4 | 35.4 | 0 | 0 | 0 | 113.3 | L12 L13 I16 V34 V36 H46 A47 A48 L60 | L12-P44 HydrophobicContact CD2-CB 4.17Å; L12-P44 HydrophobicContact CD2-CG 3.86Å; L12-P44 HydrophobicContact CG-CB 4.45Å; L12-P44 HydrophobicContact CG-CG 4.4Å; L13-P44 HydrophobicContact CG-CG 4.49Å; I16-P44 HydrophobicContact CD1-CB 3.53Å; V34-P44 WeakPolarHBondContact O-CG 3.47Å; V36-P44 HydrophobicContact CG1-CG 3.57Å; V36-P44 WeakPolarHBondContact O-CD 3.45Å; P44-H46 VanDerWaalsContact C-N 3.34Å; P44-H46 PolarHBondContact O-N 3.06Å; P44-A47 WeakPolarHBondContact O-CB 3.14Å; P44-A47 PolarHBondContact O-N 3.31Å; P44-A47 VanDerWaalsContact O-N 3.12Å; P44-A48 PolarHBondContact O-N 3.41Å; P44-L60 HydrophobicContact CB-CD1 4.25Å; P44-L60 HydrophobicContact CB-CD2 4.34Å |
| 45 | L | 91.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.8 | -32.2 | 176.4 | -167.3 | 62.8 | 0 | 0 | 0 | 113.4 | T43 A49 I57 L60 I61 A65 P77 | T43-L45 PolarHBondContact O-N 3.43Å; T43-L45 VanDerWaalsContact O-N 3.11Å; L45-A49 WeakPolarHBondContact O-CB 3.22Å; L45-A49 PolarHBondContact O-N 3.45Å; L45-I57 HydrophobicContact CD1-CB 4.41Å; L45-I57 HydrophobicContact CD1-CG1 4.35Å; L45-I57 HydrophobicContact CD1-CG2 4.08Å; L45-L60 HydrophobicContact CD1-CB 4.13Å; L45-L60 HydrophobicContact CD1-CD1 4.33Å; L45-I61 HydrophobicContact CD1-CD1 4.33Å; L45-I61 HydrophobicContact CD1-CG1 3.96Å; L45-I61 HydrophobicContact CD2-CG1 4.12Å; L45-A65 HydrophobicContact CB-CB 4.39Å; L45-A65 HydrophobicContact CD2-CB 4.13Å; L45-P77 HydrophobicContact CB-CG 4.26Å; L45-P77 HydrophobicContact CD2-CB 4.28Å; L45-P77 HydrophobicContact CD2-CG 3.92Å; L45-P77 HydrophobicContact CG-CB 3.98Å; L45-P77 HydrophobicContact CG-CG 3.89Å |
| 46 | H | 90.3 | Very high | 87.6 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.023 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.8 | -36.2 | 171.9 | -71.7 | 85.1 | 0 | 0 | 0 | 112.1 | R42 T43 P44 Y50 A69 L75 | R42-H46 HydrophobicContact CB-CB 4.3Å; T43-H46 PolarHBondContact N-ND1 3.44Å; T43-H46 WeakPolarHBondContact O-CA 3.31Å; T43-H46 WeakPolarHBondContact O-CB 3.29Å; T43-H46 PolarHBondContact O-N 3.47Å; T43-H46 PolarHBondContact OG1-ND1 3Å; P44-H46 VanDerWaalsContact C-N 3.34Å; P44-H46 PolarHBondContact O-N 3.06Å; H46-Y50 VanDerWaalsContact O-CB 3.31Å; H46-Y50 WeakPolarHBondContact O-CB 3.29Å; H46-Y50 PolarHBondContact O-N 3.45Å; H46-A69 PolarHBondContact CE1-O 2.96Å; H46-A69 VanDerWaalsContact CE1-O 3.31Å; H46-A69 PolarHBondContact NE2-O 3.08Å; H46-L75 PolarHBondContact NE2-O 2.8Å |
| 47 | A | 87.6 | Confident | 87.9 | Confident | 10 Ų | 10 | 45.6 Ų | 45.6 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.7 | -46.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L13 I16 F17 T43 P44 A49 Y50 L51 | L13-A47 HydrophobicContact CD2-CB 3.65Å; I16-A47 HydrophobicContact CG2-CB 4.11Å; F17-A47 HydrophobicContact CE2-CB 4.25Å; F17-A47 HydrophobicContact CZ-CB 3.98Å; T43-A47 PolarHBondContact O-N 3.24Å; P44-A47 WeakPolarHBondContact O-CB 3.14Å; P44-A47 PolarHBondContact O-N 3.31Å; P44-A47 VanDerWaalsContact O-N 3.12Å; A47-A49 VanDerWaalsContact C-N 3.34Å; A47-A49 PolarHBondContact O-N 3.06Å; A47-Y50 WeakPolarHBondContact O-CB 3.2Å; A47-Y50 PolarHBondContact O-N 3.27Å; A47-Y50 VanDerWaalsContact O-N 3.16Å; A47-L51 WeakPolarHBondContact O-CG 3.3Å; A47-L51 PolarHBondContact O-N 3.02Å |
| 48 | A | 89.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I16 P44 Y50 L51 G52 D53 I56 I57 L60 | I16-A48 HydrophobicContact CG2-CB 4.03Å; P44-A48 PolarHBondContact O-N 3.41Å; A48-Y50 PolarHBondContact O-N 3.42Å; A48-L51 PolarHBondContact O-N 3.14Å; A48-G52 PolarHBondContact O-N 3.4Å; A48-D53 PolarHBondContact O-N 2.96Å; A48-I56 HydrophobicContact CB-CB 4.45Å; A48-I56 HydrophobicContact CB-CG2 3.75Å; A48-I57 HydrophobicContact CB-CG1 3.78Å; A48-L60 HydrophobicContact CB-CD1 3.88Å |
| 49 | A | 90.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.6 | -35.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L45 A47 G52 I57 P77 R80 A81 S84 L93 | L45-A49 WeakPolarHBondContact O-CB 3.22Å; L45-A49 PolarHBondContact O-N 3.45Å; A47-A49 VanDerWaalsContact C-N 3.34Å; A47-A49 PolarHBondContact O-N 3.06Å; A49-G52 PolarHBondContact O-N 2.95Å; A49-I57 HydrophobicContact CB-CD1 4.37Å; A49-P77 HydrophobicContact CB-CB 3.93Å; A49-P77 VanDerWaalsContact CB-O 3.22Å; A49-P77 WeakPolarHBondContact CB-O 3.44Å; A49-R80 HydrophobicContact CB-CB 4.11Å; A49-A81 HydrophobicContact CB-CB 4.12Å; A49-A81 VanDerWaalsContact O-CA 3.27Å; A49-A81 WeakPolarHBondContact O-CA 3.48Å; A49-A81 PolarHBondContact O-N 2.9Å; A49-S84 PolarHBondContact O-OG 3.01Å; A49-L93 HydrophobicContact CB-CD1 4.49Å |
| 50 | Y | 89.4 | Confident | 88.8 | Confident | 139 Ų | 139 | 34.9 Ų | 34.9 | 55% | 0.545 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.8 | -37 | 174.8 | 174.6 | -97.6 | 0 | 0 | 0 | 112.3 | H46 A47 A48 G52 S84 | H46-Y50 VanDerWaalsContact O-CB 3.31Å; H46-Y50 WeakPolarHBondContact O-CB 3.29Å; H46-Y50 PolarHBondContact O-N 3.45Å; A47-Y50 WeakPolarHBondContact O-CB 3.2Å; A47-Y50 PolarHBondContact O-N 3.27Å; A47-Y50 VanDerWaalsContact O-N 3.16Å; A48-Y50 PolarHBondContact O-N 3.42Å; Y50-G52 VanDerWaalsContact C-N 3.32Å; Y50-S84 WeakPolarHBondContact O-CB 3.42Å |
| 51 | L | 86.9 | Confident | 89.3 | Confident | 61 Ų | 61 | 32.2 Ų | 32.2 | 32% | 0.319 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -75 | -25 | 174.1 | -63.6 | 170.9 | 0 | 0 | 0 | 112.3 | I16 F17 A47 A48 | I16-L51 HydrophobicContact CG2-CD1 3.92Å; I16-L51 WeakPolarHBondContact O-CD1 3.25Å; F17-L51 HydrophobicContact CD1-CD1 4.1Å; F17-L51 HydrophobicContact CD1-CD2 4.27Å; F17-L51 HydrophobicContact CD1-CG 4.49Å; A47-L51 WeakPolarHBondContact O-CG 3.3Å; A47-L51 PolarHBondContact O-N 3.02Å; A48-L51 PolarHBondContact O-N 3.14Å |
| 52 | G | 86.8 | Confident | 89.5 | Confident | 13 Ų | 13 | 32.4 Ų | 32.4 | 13% | 0.134 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 17.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A48 A49 Y50 A54 | A48-G52 PolarHBondContact O-N 3.4Å; A49-G52 PolarHBondContact O-N 2.95Å; Y50-G52 VanDerWaalsContact C-N 3.32Å; G52-A54 PolarHBondContact O-N 3.41Å |
| 53 | D | 89.3 | Confident | 89.6 | Confident | 30 Ų | 30 | 31.3 Ų | 31.3 | 16% | 0.16 | 16% | 0.163 | C | C | . | . | trans | -78.8 | 101.9 | -178.8 | -170 | -30.1 | 0 | 0 | 0 | 111 | V19 A48 E55 I56 I57 | V19-D53 VanDerWaalsContact CG1-OD2 3.23Å; V19-D53 WeakPolarHBondContact CG1-OD2 3.28Å; A48-D53 PolarHBondContact O-N 2.96Å; D53-E55 PolarHBondContact O-N 3.44Å; D53-E55 PolarHBondContact OD1-N 2.87Å; D53-I56 HydrophobicContact CB-CB 4.14Å; D53-I56 HydrophobicContact CB-CD1 4.29Å; D53-I56 HydrophobicContact CB-CG1 4.35Å; D53-I56 PolarHBondContact OD1-N 3.02Å; D53-I56 VanDerWaalsContact OD1-N 3.12Å; D53-I56 WeakPolarHBondContact OD2-CD1 3.2Å; D53-I56 WeakPolarHBondContact OD2-CG1 3.13Å; D53-I57 WeakPolarHBondContact O-CB 3.39Å; D53-I57 VanDerWaalsContact O-CD1 3.26Å; D53-I57 WeakPolarHBondContact O-CD1 3.4Å; D53-I57 WeakPolarHBondContact O-CG1 3.42Å; D53-I57 PolarHBondContact O-N 3.24Å | ||
| 54 | A | 89.1 | Confident | 89.5 | Confident | 23 Ų | 23 | 33.4 Ų | 33.4 | 19% | 0.19 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.5 | -41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G52 I57 E58 E88 I92 | G52-A54 PolarHBondContact O-N 3.41Å; A54-I57 PolarHBondContact O-N 2.96Å; A54-E58 PolarHBondContact O-N 3.16Å; A54-E88 HydrophobicContact CB-CB 3.95Å; A54-I92 HydrophobicContact CB-CD1 3.46Å; A54-I92 VanDerWaalsContact CB-CD1 3.46Å; A54-I92 VanDerWaalsContact O-CD1 3.22Å; A54-I92 WeakPolarHBondContact O-CD1 3.48Å |
| 55 | E | 89.4 | Confident | 89.6 | Confident | 93 Ų | 93 | 33.8 Ų | 33.8 | 44% | 0.435 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -70.5 | -44.3 | -175.7 | -174.5 | 174.6 | 178.2 | 0 | 0 | 110.7 | P21 R25 D53 I57 E58 L59 | P21-E55 HydrophobicContact CB-CG 4.47Å; R25-E55 IonicContact CZ-OE1 2.81Å; R25-E55 IonicContact NH2-OE1 2.72Å; R25-E55 PolarHBondContact NH2-OE1 3.38Å; D53-E55 PolarHBondContact O-N 3.44Å; D53-E55 PolarHBondContact OD1-N 2.87Å; E55-I57 VanDerWaalsContact C-N 3.35Å; E55-E58 PolarHBondContact O-N 3.36Å; E55-L59 WeakPolarHBondContact O-CB 3.39Å; E55-L59 PolarHBondContact O-N 3.13Å |
| 56 | I | 89 | Confident | 89.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.3 | -38.3 | 176.2 | -65.4 | -179.9 | 0 | 0 | 0 | 110.9 | I16 V24 A48 D53 L59 L60 | I16-I56 HydrophobicContact CG1-CG2 3.98Å; I16-I56 HydrophobicContact CG2-CG2 4.39Å; V24-I56 HydrophobicContact CG1-CG2 4.48Å; V24-I56 HydrophobicContact CG2-CD1 4.38Å; A48-I56 HydrophobicContact CB-CB 4.45Å; A48-I56 HydrophobicContact CB-CG2 3.75Å; D53-I56 HydrophobicContact CB-CB 4.14Å; D53-I56 HydrophobicContact CB-CD1 4.29Å; D53-I56 HydrophobicContact CB-CG1 4.35Å; D53-I56 PolarHBondContact OD1-N 3.02Å; D53-I56 VanDerWaalsContact OD1-N 3.12Å; D53-I56 WeakPolarHBondContact OD2-CD1 3.2Å; D53-I56 WeakPolarHBondContact OD2-CG1 3.13Å; I56-L59 PolarHBondContact O-N 3.48Å; I56-L60 HydrophobicContact CG2-CD1 3.84Å; I56-L60 HydrophobicContact CG2-CG 4.26Å; I56-L60 WeakPolarHBondContact O-CB 3.29Å; I56-L60 VanDerWaalsContact O-CG 3.23Å; I56-L60 WeakPolarHBondContact O-CG 3.37Å; I56-L60 PolarHBondContact O-N 3.21Å |
| 57 | I | 91.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61 | -49.1 | 175.5 | -72.6 | 164.5 | 0 | 0 | 0 | 110.9 | L45 A48 A49 D53 A54 E55 L59 L60 I61 A89 I92 L93 | L45-I57 HydrophobicContact CD1-CB 4.41Å; L45-I57 HydrophobicContact CD1-CG1 4.35Å; L45-I57 HydrophobicContact CD1-CG2 4.08Å; A48-I57 HydrophobicContact CB-CG1 3.78Å; A49-I57 HydrophobicContact CB-CD1 4.37Å; D53-I57 WeakPolarHBondContact O-CB 3.39Å; D53-I57 VanDerWaalsContact O-CD1 3.26Å; D53-I57 WeakPolarHBondContact O-CD1 3.4Å; D53-I57 WeakPolarHBondContact O-CG1 3.42Å; D53-I57 PolarHBondContact O-N 3.24Å; A54-I57 PolarHBondContact O-N 2.96Å; E55-I57 VanDerWaalsContact C-N 3.35Å; I57-L59 PolarHBondContact O-N 2.96Å; I57-L60 PolarHBondContact O-N 2.86Å; I57-I61 HydrophobicContact CG2-CD1 3.72Å; I57-I61 VanDerWaalsContact O-CG1 3.24Å; I57-I61 WeakPolarHBondContact O-CG1 3.48Å; I57-I61 PolarHBondContact O-N 2.92Å; I57-A89 HydrophobicContact CD1-CB 3.52Å; I57-I92 HydrophobicContact CG2-CB 4.49Å; I57-I92 HydrophobicContact CG2-CG2 3.84Å; I57-L93 HydrophobicContact CG2-CD2 3.89Å; I57-L93 HydrophobicContact CG2-CG 4.01Å |
| 58 | E | 91.6 | Very high | 90 | Very high | 61 Ų | 61 | 45.8 Ų | 45.8 | 29% | 0.285 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63 | -43.9 | 179.9 | -166.5 | 164.3 | -145.3 | 0 | 0 | 110.8 | A54 E55 L60 I61 L62 I92 K95 | A54-E58 PolarHBondContact O-N 3.16Å; E55-E58 PolarHBondContact O-N 3.36Å; E58-L60 PolarHBondContact O-N 3.13Å; E58-I61 PolarHBondContact O-N 2.93Å; E58-L62 HydrophobicContact CG-CD1 4.11Å; E58-L62 HydrophobicContact CG-CG 4.44Å; E58-L62 WeakPolarHBondContact O-CB 3.37Å; E58-L62 VanDerWaalsContact O-CG 3.31Å; E58-L62 WeakPolarHBondContact O-CG 3.37Å; E58-L62 PolarHBondContact O-N 3.44Å; E58-I92 HydrophobicContact CB-CD1 4.35Å; E58-I92 HydrophobicContact CB-CG2 3.89Å; E58-I92 HydrophobicContact CG-CG2 4.31Å; E58-K95 IonicContact OE1-NZ 3.43Å; E58-K95 PolarHBondContact OE1-NZ 2.93Å |
| 59 | L | 89.7 | Confident | 90.1 | Very high | 32 Ų | 32 | 46.4 Ų | 46.4 | 17% | 0.168 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 177.2 | -178.3 | 68.6 | 0 | 0 | 0 | 112.6 | V24 R25 I28 E55 I56 I57 S63 | V24-L59 HydrophobicContact CB-CD2 4.26Å; V24-L59 HydrophobicContact CG1-CD2 3.76Å; R25-L59 HydrophobicContact CB-CD2 4.4Å; R25-L59 HydrophobicContact CG-CD1 3.84Å; R25-L59 HydrophobicContact CG-CD2 3.49Å; R25-L59 VanDerWaalsContact CG-CD2 3.49Å; R25-L59 HydrophobicContact CG-CG 4.31Å; I28-L59 HydrophobicContact CD1-CD2 4Å; I28-L59 HydrophobicContact CD1-CG 3.89Å; E55-L59 WeakPolarHBondContact O-CB 3.39Å; E55-L59 PolarHBondContact O-N 3.13Å; I56-L59 PolarHBondContact O-N 3.48Å; I57-L59 PolarHBondContact O-N 2.96Å; L59-S63 VanDerWaalsContact O-CB 3.31Å; L59-S63 WeakPolarHBondContact O-CB 3.41Å; L59-S63 PolarHBondContact O-N 3.48Å; L59-S63 VanDerWaalsContact O-N 3.11Å; L59-S63 PolarHBondContact O-OG 2.91Å |
| 60 | L | 89.8 | Confident | 90.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | 178.7 | -74 | 171.5 | 0 | 0 | 0 | 111.6 | L12 I16 I28 V34 P44 L45 A48 I56 I57 E58 S63 G64 A65 | L12-L60 HydrophobicContact CD2-CD2 4.47Å; I16-L60 HydrophobicContact CD1-CD1 3.9Å; I16-L60 HydrophobicContact CD1-CD2 4.49Å; I28-L60 HydrophobicContact CD1-CD2 4.06Å; V34-L60 HydrophobicContact CB-CD2 4.48Å; V34-L60 HydrophobicContact CG1-CD2 4.36Å; P44-L60 HydrophobicContact CB-CD1 4.25Å; P44-L60 HydrophobicContact CB-CD2 4.34Å; L45-L60 HydrophobicContact CD1-CB 4.13Å; L45-L60 HydrophobicContact CD1-CD1 4.33Å; A48-L60 HydrophobicContact CB-CD1 3.88Å; I56-L60 HydrophobicContact CG2-CD1 3.84Å; I56-L60 HydrophobicContact CG2-CG 4.26Å; I56-L60 WeakPolarHBondContact O-CB 3.29Å; I56-L60 VanDerWaalsContact O-CG 3.23Å; I56-L60 WeakPolarHBondContact O-CG 3.37Å; I56-L60 PolarHBondContact O-N 3.21Å; I57-L60 PolarHBondContact O-N 2.86Å; E58-L60 PolarHBondContact O-N 3.13Å; L60-S63 CarbonylContact O-C 3.6Å; L60-S63 PolarHBondContact O-N 2.95Å; L60-G64 PolarHBondContact O-N 2.82Å; L60-A65 HydrophobicContact CB-CB 4.04Å; L60-A65 WeakPolarHBondContact O-CB 3.32Å; L60-A65 PolarHBondContact O-N 3.02Å |
| 61 | I | 91.8 | Very high | 90.3 | Very high | 18 Ų | 18 | 44.3 Ų | 44.3 | 9% | 0.092 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.6 | -45.9 | 179.8 | -66.5 | 168 | 0 | 0 | 0 | 111.1 | L45 I57 E58 S63 G64 V67 L93 H96 | L45-I61 HydrophobicContact CD1-CD1 4.33Å; L45-I61 HydrophobicContact CD1-CG1 3.96Å; L45-I61 HydrophobicContact CD2-CG1 4.12Å; I57-I61 HydrophobicContact CG2-CD1 3.72Å; I57-I61 VanDerWaalsContact O-CG1 3.24Å; I57-I61 WeakPolarHBondContact O-CG1 3.48Å; I57-I61 PolarHBondContact O-N 2.92Å; E58-I61 PolarHBondContact O-N 2.93Å; I61-S63 PolarHBondContact O-N 3.22Å; I61-G64 PolarHBondContact O-N 3.31Å; I61-V67 HydrophobicContact CD1-CG2 4.2Å; I61-V67 HydrophobicContact CG1-CG2 4.11Å; I61-V67 HydrophobicContact CG2-CG2 3.94Å; I61-L93 HydrophobicContact CD1-CD2 3.95Å; I61-H96 HydrophobicContact CD1-CB 4.22Å; I61-H96 HydrophobicContact CG2-CB 3.84Å |
| 62 | L | 90.4 | Very high | 90.5 | Very high | 125 Ų | 125 | 43.3 Ų | 43.3 | 65% | 0.654 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -60.2 | -27 | 175.3 | -70 | 175.8 | 0 | 0 | 0 | 112.3 | E58 G64 | E58-L62 HydrophobicContact CG-CD1 4.11Å; E58-L62 HydrophobicContact CG-CG 4.44Å; E58-L62 WeakPolarHBondContact O-CB 3.37Å; E58-L62 VanDerWaalsContact O-CG 3.31Å; E58-L62 WeakPolarHBondContact O-CG 3.37Å; E58-L62 PolarHBondContact O-N 3.44Å; L62-G64 VanDerWaalsContact C-N 3.31Å |
| 63 | S | 88.8 | Confident | 90.7 | Very high | 45 Ų | 45 | 48.1 Ų | 48.1 | 32% | 0.315 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 6.9 | 177.7 | -54.1 | 0 | 0 | 0 | 0 | 113.9 | I28 L59 L60 I61 | I28-S63 WeakPolarHBondContact CG2-OG 3.47Å; L59-S63 VanDerWaalsContact O-CB 3.31Å; L59-S63 WeakPolarHBondContact O-CB 3.41Å; L59-S63 PolarHBondContact O-N 3.48Å; L59-S63 VanDerWaalsContact O-N 3.11Å; L59-S63 PolarHBondContact O-OG 2.91Å; L60-S63 CarbonylContact O-C 3.6Å; L60-S63 PolarHBondContact O-N 2.95Å; I61-S63 PolarHBondContact O-N 3.22Å |
| 64 | G | 87.8 | Confident | 90.9 | Very high | 46 Ų | 46 | 52.7 Ų | 52.7 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97 | 17.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | N35 L60 I61 L62 | N35-G64 PolarHBondContact ND2-O 3.49Å; L60-G64 PolarHBondContact O-N 2.82Å; I61-G64 PolarHBondContact O-N 3.31Å; L62-G64 VanDerWaalsContact C-N 3.31Å |
| 65 | A | 90.4 | Very high | 91 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 7% | 0.066 | 26% | 0.264 | C | S | . | . | trans | -67.8 | 137.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | V34 N35 L45 L60 V67 | V34-A65 HydrophobicContact CG2-CB 4.44Å; N35-A65 WeakPolarHBondContact OD1-CA 3.15Å; L45-A65 HydrophobicContact CB-CB 4.39Å; L45-A65 HydrophobicContact CD2-CB 4.13Å; L60-A65 HydrophobicContact CB-CB 4.04Å; L60-A65 WeakPolarHBondContact O-CB 3.32Å; L60-A65 PolarHBondContact O-N 3.02Å; A65-V67 PolarHBondContact O-N 3.45Å | ||
| 66 | R | 91.8 | Very high | 91.3 | Very high | 175 Ų | 175 | 48.2 Ų | 48.2 | 66% | 0.66 | 24% | 0.244 | S | C | * | . | trans | -75.7 | 105.5 | 179.1 | -66.2 | 176.9 | -175.3 | -173 | 2.3 | 111.1 | N35 N68 A69 | N35-R66 WeakPolarHBondContact OD1-CG 3.16Å; N35-R66 PolarHBondContact OD1-N 3.11Å; R66-N68 VanDerWaalsContact C-N 3.29Å; R66-N68 PolarHBondContact O-N 3.26Å; R66-A69 HydrophobicContact CB-CB 4.16Å; R66-A69 WeakPolarHBondContact O-CB 2.88Å; R66-A69 PolarHBondContact O-N 3Å | ||
| 67 | V | 92.4 | Very high | 91.5 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 13% | 0.127 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -39.1 | -177.4 | -170.4 | 0 | 0 | 0 | 0 | 113.1 | I61 A65 P77 L93 H96 A98 | I61-V67 HydrophobicContact CD1-CG2 4.2Å; I61-V67 HydrophobicContact CG1-CG2 4.11Å; I61-V67 HydrophobicContact CG2-CG2 3.94Å; A65-V67 PolarHBondContact O-N 3.45Å; V67-P77 WeakPolarHBondContact O-CD 3.2Å; V67-L93 HydrophobicContact CG1-CD2 4.03Å; V67-H96 HydrophobicContact CG2-CB 4.25Å; V67-A98 HydrophobicContact CG1-CB 3.67Å |
| 68 | N | 93.8 | Very high | 91.7 | Very high | 71 Ų | 71 | 48.2 Ų | 48.2 | 38% | 0.38 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 24.3 | -176.7 | -65.4 | -43.1 | 0 | 0 | 0 | 113.5 | R66 S97 A98 D99 | R66-N68 VanDerWaalsContact C-N 3.29Å; R66-N68 PolarHBondContact O-N 3.26Å; N68-S97 PolarHBondContact ND2-O 3.11Å; N68-A98 WeakPolarHBondContact OD1-CA 3.39Å; N68-D99 PolarHBondContact OD1-N 3.49Å |
| 69 | A | 91.8 | Very high | 91.8 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | trans | -58.6 | 142.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T43 H46 R66 T76 P77 | T43-A69 HydrophobicContact CG2-CB 4Å; H46-A69 PolarHBondContact CE1-O 2.96Å; H46-A69 VanDerWaalsContact CE1-O 3.31Å; H46-A69 PolarHBondContact NE2-O 3.08Å; R66-A69 HydrophobicContact CB-CB 4.16Å; R66-A69 WeakPolarHBondContact O-CB 2.88Å; R66-A69 PolarHBondContact O-N 3Å; A69-T76 WeakPolarHBondContact O-CA 3.45Å; A69-P77 VanDerWaalsContact O-CD 3.26Å; A69-P77 WeakPolarHBondContact O-CD 3.41Å | ||
| 70 | K | 93.3 | Very high | 91.9 | Very high | 93 Ų | 93 | 46.2 Ų | 46.2 | 40% | 0.404 | 23% | 0.231 | S | C | . | . | trans | -113.4 | 129.5 | 179.7 | -75.9 | -172.8 | 179.6 | -167.8 | 0 | 110.7 | W74 L75 T76 R103 | K70-W74 HydrophobicContact CD-CB 4.14Å; K70-W74 HydrophobicContact CD-CG 4.46Å; K70-L75 WeakPolarHBondContact CA-O 3.43Å; K70-T76 HydrophobicContact CG-CG2 4.05Å; K70-R103 PolarHBondContact NZ-O 2.78Å | ||
| 71 | D | 91 | Very high | 92.1 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | trans | -72.9 | -179.6 | 170.1 | 77.1 | 6.6 | 0 | 0 | 0 | 112.1 | R42 K73 W74 L75 R80 | R42-D71 HydrophobicContact CG-CB 3.76Å; D71-K73 PolarHBondContact O-N 3.4Å; D71-K73 VanDerWaalsContact O-N 3.11Å; D71-K73 VanDerWaalsContact OD1-CA 3.28Å; D71-K73 WeakPolarHBondContact OD1-CA 3.35Å; D71-K73 WeakPolarHBondContact OD1-CB 3.39Å; D71-K73 PolarHBondContact OD1-N 3.47Å; D71-W74 WeakPolarHBondContact O-CA 3.47Å; D71-W74 PolarHBondContact O-N 3Å; D71-W74 PolarHBondContact OD1-N 2.98Å; D71-W74 VanDerWaalsContact OD1-N 3.07Å; D71-L75 PolarHBondContact N-O 3.26Å; D71-L75 WeakPolarHBondContact OD1-CB 3.22Å; D71-L75 PolarHBondContact OD1-N 3.03Å; D71-R80 IonicContact OD2-CZ 3.97Å; D71-R80 IonicContact OD2-NE 2.62Å; D71-R80 IonicContact OD2-NH2 2.62Å; D71-R80 PolarHBondContact OD2-NH2 3.42Å | ||
| 72 | S | 91.8 | Very high | 92.2 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.5 | 177.7 | 61.3 | 0 | 0 | 0 | 0 | 114.2 | E40 K105 | E40-S72 WeakPolarHBondContact O-CB 3.1Å; E40-S72 PolarHBondContact O-N 3.14Å; E40-S72 PolarHBondContact O-OG 2.94Å; E40-S72 VanDerWaalsContact O-OG 3.13Å; S72-K105 WeakPolarHBondContact O-CE 3.29Å; S72-K105 PolarHBondContact O-NZ 3.44Å |
| 73 | K | 90.7 | Very high | 92.3 | Very high | 114 Ų | 114 | 41.4 Ų | 41.4 | 50% | 0.496 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 5.4 | 173.9 | -60.9 | -179.6 | -174.7 | 177.2 | 0 | 112.6 | D71 L75 K105 | D71-K73 PolarHBondContact O-N 3.4Å; D71-K73 VanDerWaalsContact O-N 3.11Å; D71-K73 VanDerWaalsContact OD1-CA 3.28Å; D71-K73 WeakPolarHBondContact OD1-CA 3.35Å; D71-K73 WeakPolarHBondContact OD1-CB 3.39Å; D71-K73 PolarHBondContact OD1-N 3.47Å; K73-L75 HydrophobicContact CB-CD1 4.12Å; K73-L75 HydrophobicContact CB-CG 4.17Å; K73-L75 HydrophobicContact CD-CD1 4.47Å; K73-L75 PolarHBondContact O-N 3.05Å; K73-K105 WeakPolarHBondContact O-CG 3.42Å; K73-K105 PolarHBondContact O-N 3.42Å |
| 74 | W | 92.4 | Very high | 92.2 | Very high | 127 Ų | 127 | 41 Ų | 41 | 48% | 0.481 | 21% | 0.209 | S | C | . | . | trans | 64.6 | 17.7 | -174.4 | -60.1 | -3 | 0 | 0 | 0 | 114.3 | K70 D71 K105 | K70-W74 HydrophobicContact CD-CB 4.14Å; K70-W74 HydrophobicContact CD-CG 4.46Å; D71-W74 WeakPolarHBondContact O-CA 3.47Å; D71-W74 PolarHBondContact O-N 3Å; D71-W74 PolarHBondContact OD1-N 2.98Å; D71-W74 VanDerWaalsContact OD1-N 3.07Å; W74-K105 HydrophobicContact CB-CG 4.37Å; W74-K105 HydrophobicContact CD2-CG 3.95Å; W74-K105 HydrophobicContact CE3-CG 4.32Å; W74-K105 HydrophobicContact CG-CG 3.96Å | ||
| 75 | L | 92.8 | Very high | 92.3 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 11% | 0.11 | 21% | 0.206 | C | C | . | . | trans | -74.2 | 140.2 | 172.6 | -62.1 | 165.4 | 0 | 0 | 0 | 108.6 | H46 K70 D71 K73 H79 D104 I113 | H46-L75 PolarHBondContact NE2-O 2.8Å; K70-L75 WeakPolarHBondContact CA-O 3.43Å; D71-L75 PolarHBondContact N-O 3.26Å; D71-L75 WeakPolarHBondContact OD1-CB 3.22Å; D71-L75 PolarHBondContact OD1-N 3.03Å; K73-L75 HydrophobicContact CB-CD1 4.12Å; K73-L75 HydrophobicContact CB-CG 4.17Å; K73-L75 HydrophobicContact CD-CD1 4.47Å; K73-L75 PolarHBondContact O-N 3.05Å; L75-H79 HydrophobicContact CB-CB 4.17Å; L75-H79 HydrophobicContact CD2-CB 3.78Å; L75-D104 HydrophobicContact CD2-CB 3.77Å; L75-D104 HydrophobicContact CG-CB 4.41Å; L75-I113 HydrophobicContact CD2-CD1 4.01Å | ||
| 76 | T | 94.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | trans | -96.1 | 165.2 | 171.9 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | A69 K70 L78 H79 R80 A102 | A69-T76 WeakPolarHBondContact O-CA 3.45Å; K70-T76 HydrophobicContact CG-CG2 4.05Å; T76-L78 PolarHBondContact O-N 3Å; T76-L78 PolarHBondContact OG1-N 2.97Å; T76-H79 PolarHBondContact N-ND1 3.16Å; T76-H79 VanDerWaalsContact N-ND1 3.18Å; T76-H79 WeakPolarHBondContact O-CB 3.41Å; T76-H79 PolarHBondContact O-N 2.87Å; T76-H79 PolarHBondContact OG1-N 3.28Å; T76-H79 PolarHBondContact OG1-ND1 2.93Å; T76-R80 PolarHBondContact O-N 3.13Å; T76-A102 HydrophobicContact CG2-CB 3.8Å | ||
| 77 | P | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -51.2 | -37.4 | 169.2 | -28.5 | 35.9 | 0 | 0 | 0 | 112.3 | L45 A49 V67 A69 H79 R80 A81 L93 | L45-P77 HydrophobicContact CB-CG 4.26Å; L45-P77 HydrophobicContact CD2-CB 4.28Å; L45-P77 HydrophobicContact CD2-CG 3.92Å; L45-P77 HydrophobicContact CG-CB 3.98Å; L45-P77 HydrophobicContact CG-CG 3.89Å; A49-P77 HydrophobicContact CB-CB 3.93Å; A49-P77 VanDerWaalsContact CB-O 3.22Å; A49-P77 WeakPolarHBondContact CB-O 3.44Å; V67-P77 WeakPolarHBondContact O-CD 3.2Å; A69-P77 VanDerWaalsContact O-CD 3.26Å; A69-P77 WeakPolarHBondContact O-CD 3.41Å; P77-H79 PolarHBondContact O-N 2.8Å; P77-R80 WeakPolarHBondContact O-CB 3.16Å; P77-R80 PolarHBondContact O-N 3.5Å; P77-R80 VanDerWaalsContact O-N 3.07Å; P77-A81 PolarHBondContact O-N 2.81Å; P77-L93 HydrophobicContact CB-CD1 4.44Å; P77-L93 HydrophobicContact CB-CD2 4.24Å |
| 78 | L | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 175.3 | -174.1 | 63.5 | 0 | 0 | 0 | 112.9 | T76 R80 A81 V82 V90 L93 L94 A98 V100 P110 L126 | T76-L78 PolarHBondContact O-N 3Å; T76-L78 PolarHBondContact OG1-N 2.97Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 3.33Å; L78-A81 PolarHBondContact O-N 3.19Å; L78-V82 HydrophobicContact CD1-CG2 4.36Å; L78-V82 WeakPolarHBondContact O-CB 3.21Å; L78-V82 WeakPolarHBondContact O-CG2 3.5Å; L78-V82 PolarHBondContact O-N 3.12Å; L78-V90 HydrophobicContact CD1-CB 4.48Å; L78-V90 HydrophobicContact CD1-CG1 4.05Å; L78-V90 HydrophobicContact CD1-CG2 4.29Å; L78-L93 HydrophobicContact CB-CD1 4.44Å; L78-L93 HydrophobicContact CD1-CB 4.15Å; L78-L93 HydrophobicContact CD1-CD1 4.26Å; L78-L94 HydrophobicContact CD1-CD2 4.45Å; L78-L94 HydrophobicContact CD2-CD2 4.23Å; L78-A98 HydrophobicContact CB-CB 4.32Å; L78-A98 HydrophobicContact CD2-CB 4.02Å; L78-V100 HydrophobicContact CD2-CG1 4.2Å; L78-P110 HydrophobicContact CD2-CB 4.33Å; L78-P110 HydrophobicContact CD2-CG 3.92Å; L78-P110 HydrophobicContact CG-CB 4.24Å; L78-P110 HydrophobicContact CG-CG 4.09Å; L78-L126 HydrophobicContact CD1-CD2 4.38Å; L78-L126 HydrophobicContact CD2-CD2 4.13Å |
| 79 | H | 94.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.8 | -36.7 | 174.1 | -70.9 | 89.5 | 0 | 0 | 0 | 112.1 | L75 T76 P77 A83 A102 Q108 P110 I113 | L75-H79 HydrophobicContact CB-CB 4.17Å; L75-H79 HydrophobicContact CD2-CB 3.78Å; T76-H79 PolarHBondContact N-ND1 3.16Å; T76-H79 VanDerWaalsContact N-ND1 3.18Å; T76-H79 WeakPolarHBondContact O-CB 3.41Å; T76-H79 PolarHBondContact O-N 2.87Å; T76-H79 PolarHBondContact OG1-N 3.28Å; T76-H79 PolarHBondContact OG1-ND1 2.93Å; P77-H79 PolarHBondContact O-N 2.8Å; H79-A83 WeakPolarHBondContact O-CB 3.2Å; H79-A83 PolarHBondContact O-N 3.45Å; H79-A102 PolarHBondContact CE1-O 3.45Å; H79-A102 PolarHBondContact NE2-O 3.37Å; H79-Q108 PolarHBondContact NE2-O 3.11Å; H79-P110 WeakPolarHBondContact NE2-CD 3.37Å; H79-I113 HydrophobicContact CB-CD1 3.81Å; H79-I113 VanDerWaalsContact CD2-CD1 3.47Å; H79-I113 WeakPolarHBondContact CD2-CD1 3.29Å |
| 80 | R | 92.3 | Very high | 92.3 | Very high | 50 Ų | 50 | 35.5 Ų | 35.5 | 19% | 0.189 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.7 | -43 | 179.3 | -63.7 | -68 | -177.4 | 161.4 | 3.3 | 112.2 | A49 D71 T76 P77 L78 V82 A83 S84 | A49-R80 HydrophobicContact CB-CB 4.11Å; D71-R80 IonicContact OD2-CZ 3.97Å; D71-R80 IonicContact OD2-NE 2.62Å; D71-R80 IonicContact OD2-NH2 2.62Å; D71-R80 PolarHBondContact OD2-NH2 3.42Å; T76-R80 PolarHBondContact O-N 3.13Å; P77-R80 WeakPolarHBondContact O-CB 3.16Å; P77-R80 PolarHBondContact O-N 3.5Å; P77-R80 VanDerWaalsContact O-N 3.07Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 3.33Å; R80-V82 VanDerWaalsContact C-N 3.29Å; R80-V82 PolarHBondContact O-N 3.37Å; R80-A83 WeakPolarHBondContact O-CB 3.27Å; R80-A83 PolarHBondContact O-N 3.03Å; R80-S84 PolarHBondContact O-N 2.94Å; R80-S84 PolarHBondContact O-OG 3.34Å |
| 81 | A | 93.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.1 | -36.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A49 P77 L78 S84 C85 C86 A89 V90 L93 | A49-A81 HydrophobicContact CB-CB 4.12Å; A49-A81 VanDerWaalsContact O-CA 3.27Å; A49-A81 WeakPolarHBondContact O-CA 3.48Å; A49-A81 PolarHBondContact O-N 2.9Å; P77-A81 PolarHBondContact O-N 2.81Å; L78-A81 PolarHBondContact O-N 3.19Å; A81-S84 WeakPolarHBondContact CA-OG 3.36Å; A81-S84 PolarHBondContact O-N 3.13Å; A81-S84 PolarHBondContact O-OG 2.88Å; A81-C85 PolarHBondContact O-N 2.98Å; A81-C86 PolarHBondContact O-N 3.4Å; A81-A89 HydrophobicContact CB-CB 4.12Å; A81-V90 HydrophobicContact CB-CG2 3.91Å; A81-L93 HydrophobicContact CB-CD1 3.66Å |
| 82 | V | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.6 | -37.9 | 174.6 | 174 | 0 | 0 | 0 | 0 | 111.6 | L78 R80 S84 C85 V90 P110 I113 A114 L126 | L78-V82 HydrophobicContact CD1-CG2 4.36Å; L78-V82 WeakPolarHBondContact O-CB 3.21Å; L78-V82 WeakPolarHBondContact O-CG2 3.5Å; L78-V82 PolarHBondContact O-N 3.12Å; R80-V82 VanDerWaalsContact C-N 3.29Å; R80-V82 PolarHBondContact O-N 3.37Å; V82-S84 VanDerWaalsContact C-N 3.28Å; V82-S84 PolarHBondContact O-N 3.48Å; V82-C85 PolarHBondContact O-N 3.44Å; V82-C85 VanDerWaalsContact O-N 3.14Å; V82-V90 HydrophobicContact CG2-CG2 3.67Å; V82-P110 WeakPolarHBondContact CG1-O 3.48Å; V82-P110 HydrophobicContact CG2-CB 4.16Å; V82-I113 HydrophobicContact CG1-CB 4.33Å; V82-I113 HydrophobicContact CG1-CG2 4.22Å; V82-A114 VanDerWaalsContact CG1-CA 3.45Å; V82-A114 HydrophobicContact CG1-CB 3.47Å; V82-A114 VanDerWaalsContact CG1-CB 3.47Å; V82-L126 HydrophobicContact CG2-CD1 3.81Å |
| 83 | A | 91.7 | Very high | 92.6 | Very high | 41 Ų | 41 | 34.9 Ų | 34.9 | 34% | 0.339 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.2 | -32.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H79 R80 C85 I113 | H79-A83 WeakPolarHBondContact O-CB 3.2Å; H79-A83 PolarHBondContact O-N 3.45Å; R80-A83 WeakPolarHBondContact O-CB 3.27Å; R80-A83 PolarHBondContact O-N 3.03Å; A83-C85 VanDerWaalsContact C-N 3.27Å; A83-I113 HydrophobicContact CB-CG2 3.8Å |
| 84 | S | 87.9 | Confident | 92.7 | Very high | 37 Ų | 37 | 30.7 Ų | 30.7 | 26% | 0.259 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -5 | 174.7 | 57.3 | 0 | 0 | 0 | 0 | 114 | A49 Y50 R80 A81 V82 C86 | A49-S84 PolarHBondContact O-OG 3.01Å; Y50-S84 WeakPolarHBondContact O-CB 3.42Å; R80-S84 PolarHBondContact O-N 2.94Å; R80-S84 PolarHBondContact O-OG 3.34Å; A81-S84 WeakPolarHBondContact CA-OG 3.36Å; A81-S84 PolarHBondContact O-N 3.13Å; A81-S84 PolarHBondContact O-OG 2.88Å; V82-S84 VanDerWaalsContact C-N 3.28Å; V82-S84 PolarHBondContact O-N 3.48Å; S84-C86 PolarHBondContact O-N 3.38Å |
| 85 | C | 90 | Very high | 92.7 | Very high | 60 Ų | 60 | 31.4 Ų | 31.4 | 41% | 0.405 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 24 | -179.6 | -54.7 | 0 | 0 | 0 | 0 | 114.6 | A81 V82 A83 N117 A119 | A81-C85 PolarHBondContact O-N 2.98Å; V82-C85 PolarHBondContact O-N 3.44Å; V82-C85 VanDerWaalsContact O-N 3.14Å; A83-C85 VanDerWaalsContact C-N 3.27Å; C85-N117 PolarHBondContact SG-O 2.67Å; C85-A119 HydrophobicContact CB-CB 4.18Å |
| 86 | C | 90 | Very high | 92.7 | Very high | 31 Ų | 31 | 32.9 Ų | 32.9 | 21% | 0.209 | 17% | 0.171 | C | C | . | . | trans | -90.6 | 109.9 | 179.8 | -64.2 | 0 | 0 | 0 | 0 | 110.7 | A81 S84 A89 V90 | A81-C86 PolarHBondContact O-N 3.4Å; S84-C86 PolarHBondContact O-N 3.38Å; C86-A89 HydrophobicContact CB-CB 3.92Å; C86-V90 WeakPolarHBondContact O-CG2 3.38Å; C86-V90 PolarHBondContact O-N 3.4Å | ||
| 87 | E | 92.6 | Very high | 92.5 | Very high | 28 Ų | 28 | 37.4 Ų | 37.4 | 13% | 0.131 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.5 | -43.4 | -178.4 | -178.1 | -175.9 | 170.2 | 0 | 0 | 111.6 | A89 V90 Q91 R121 | E87-A89 VanDerWaalsContact C-N 3.32Å; E87-A89 PolarHBondContact O-N 2.92Å; E87-V90 CarbonylContact O-C 3.52Å; E87-V90 WeakPolarHBondContact O-CA 3.41Å; E87-V90 WeakPolarHBondContact O-CB 3.26Å; E87-V90 PolarHBondContact O-N 3.2Å; E87-Q91 HydrophobicContact CG-CG 4.12Å; E87-Q91 WeakPolarHBondContact O-CG 3.4Å; E87-Q91 PolarHBondContact O-N 3.14Å; E87-Q91 PolarHBondContact OE1-NE2 3Å; E87-R121 HydrophobicContact CB-CB 4.31Å; E87-R121 HydrophobicContact CG-CB 4.41Å; E87-R121 WeakPolarHBondContact OE2-CB 3.43Å; E87-R121 IonicContact OE2-CZ 3.89Å; E87-R121 IonicContact OE2-NE 3.79Å; E87-R121 PolarHBondContact OE2-NE 3.04Å; E87-R121 IonicContact OE2-NH1 3.25Å; E87-R121 IonicContact OE2-NH2 3.74Å; E87-R121 PolarHBondContact OE2-NH2 3.13Å |
| 88 | E | 91.5 | Very high | 92.5 | Very high | 99 Ų | 99 | 37.8 Ų | 37.8 | 46% | 0.463 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.4 | -43.3 | -175.9 | -62.7 | 75 | -165.4 | 0 | 0 | 110.6 | A54 V90 Q91 I92 | A54-E88 HydrophobicContact CB-CB 3.95Å; E88-V90 PolarHBondContact O-N 2.81Å; E88-Q91 PolarHBondContact O-N 3.38Å; E88-I92 WeakPolarHBondContact O-CG1 3.35Å; E88-I92 PolarHBondContact O-N 2.88Å |
| 89 | A | 92.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I57 A81 C86 E87 L93 | I57-A89 HydrophobicContact CD1-CB 3.52Å; A81-A89 HydrophobicContact CB-CB 4.12Å; C86-A89 HydrophobicContact CB-CB 3.92Å; E87-A89 VanDerWaalsContact C-N 3.32Å; E87-A89 PolarHBondContact O-N 2.92Å; A89-L93 WeakPolarHBondContact O-CB 3.38Å; A89-L93 WeakPolarHBondContact O-CD1 3.37Å; A89-L93 VanDerWaalsContact O-CG 3.26Å; A89-L93 WeakPolarHBondContact O-CG 3.4Å; A89-L93 PolarHBondContact O-N 3.47Å; A89-L93 VanDerWaalsContact O-N 3.09Å |
| 90 | V | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -46.4 | 175.9 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | L78 A81 V82 C86 E87 E88 I92 L93 L94 C122 A125 L126 | L78-V90 HydrophobicContact CD1-CB 4.48Å; L78-V90 HydrophobicContact CD1-CG1 4.05Å; L78-V90 HydrophobicContact CD1-CG2 4.29Å; A81-V90 HydrophobicContact CB-CG2 3.91Å; V82-V90 HydrophobicContact CG2-CG2 3.67Å; C86-V90 WeakPolarHBondContact O-CG2 3.38Å; C86-V90 PolarHBondContact O-N 3.4Å; E87-V90 CarbonylContact O-C 3.52Å; E87-V90 WeakPolarHBondContact O-CA 3.41Å; E87-V90 WeakPolarHBondContact O-CB 3.26Å; E87-V90 PolarHBondContact O-N 3.2Å; E88-V90 PolarHBondContact O-N 2.81Å; V90-I92 PolarHBondContact O-N 3.38Å; V90-L93 PolarHBondContact O-N 3.34Å; V90-L94 HydrophobicContact CG1-CD1 3.7Å; V90-L94 HydrophobicContact CG1-CG 4.19Å; V90-L94 WeakPolarHBondContact O-CB 3.41Å; V90-L94 WeakPolarHBondContact O-CG 3.49Å; V90-L94 PolarHBondContact O-N 3.22Å; V90-C122 HydrophobicContact CG2-CB 4.23Å; V90-A125 HydrophobicContact CG1-CB 4.39Å; V90-L126 HydrophobicContact CG1-CD2 4.37Å; V90-L126 HydrophobicContact CG1-CG 4.39Å |
| 91 | Q | 93.5 | Very high | 92.2 | Very high | 98 Ų | 98 | 41.9 Ų | 41.9 | 46% | 0.458 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 179.3 | -72.4 | -174.7 | 8.5 | 0 | 0 | 112.3 | E87 E88 L94 K95 | E87-Q91 HydrophobicContact CG-CG 4.12Å; E87-Q91 WeakPolarHBondContact O-CG 3.4Å; E87-Q91 PolarHBondContact O-N 3.14Å; E87-Q91 PolarHBondContact OE1-NE2 3Å; E88-Q91 PolarHBondContact O-N 3.38Å; Q91-L94 PolarHBondContact O-N 3.02Å; Q91-K95 WeakPolarHBondContact O-CB 3.38Å; Q91-K95 PolarHBondContact O-N 3.4Å |
| 92 | I | 93.7 | Very high | 92.2 | Very high | 24 Ų | 24 | 42 Ų | 42 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 177.1 | -68.4 | 173.2 | 0 | 0 | 0 | 110.9 | A54 I57 E58 E88 V90 L94 K95 H96 | A54-I92 HydrophobicContact CB-CD1 3.46Å; A54-I92 VanDerWaalsContact CB-CD1 3.46Å; A54-I92 VanDerWaalsContact O-CD1 3.22Å; A54-I92 WeakPolarHBondContact O-CD1 3.48Å; I57-I92 HydrophobicContact CG2-CB 4.49Å; I57-I92 HydrophobicContact CG2-CG2 3.84Å; E58-I92 HydrophobicContact CB-CD1 4.35Å; E58-I92 HydrophobicContact CB-CG2 3.89Å; E58-I92 HydrophobicContact CG-CG2 4.31Å; E88-I92 WeakPolarHBondContact O-CG1 3.35Å; E88-I92 PolarHBondContact O-N 2.88Å; V90-I92 PolarHBondContact O-N 3.38Å; I92-L94 VanDerWaalsContact C-N 3.3Å; I92-L94 PolarHBondContact O-N 3.04Å; I92-K95 WeakPolarHBondContact O-CB 3.32Å; I92-K95 PolarHBondContact O-N 3.22Å; I92-H96 PolarHBondContact O-CD2 2.92Å; I92-H96 VanDerWaalsContact O-CD2 3.31Å; I92-H96 PolarHBondContact O-N 3.45Å; I92-H96 VanDerWaalsContact O-N 3.12Å |
| 93 | L | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 175.7 | -72.5 | 168.6 | 0 | 0 | 0 | 111.4 | A49 I57 I61 V67 P77 L78 A81 A89 V90 H96 S97 A98 | A49-L93 HydrophobicContact CB-CD1 4.49Å; I57-L93 HydrophobicContact CG2-CD2 3.89Å; I57-L93 HydrophobicContact CG2-CG 4.01Å; I61-L93 HydrophobicContact CD1-CD2 3.95Å; V67-L93 HydrophobicContact CG1-CD2 4.03Å; P77-L93 HydrophobicContact CB-CD1 4.44Å; P77-L93 HydrophobicContact CB-CD2 4.24Å; L78-L93 HydrophobicContact CB-CD1 4.44Å; L78-L93 HydrophobicContact CD1-CB 4.15Å; L78-L93 HydrophobicContact CD1-CD1 4.26Å; A81-L93 HydrophobicContact CB-CD1 3.66Å; A89-L93 WeakPolarHBondContact O-CB 3.38Å; A89-L93 WeakPolarHBondContact O-CD1 3.37Å; A89-L93 VanDerWaalsContact O-CG 3.26Å; A89-L93 WeakPolarHBondContact O-CG 3.4Å; A89-L93 PolarHBondContact O-N 3.47Å; A89-L93 VanDerWaalsContact O-N 3.09Å; V90-L93 PolarHBondContact O-N 3.34Å; L93-H96 CarbonylContact O-C 3.44Å; L93-H96 PolarHBondContact O-N 3.49Å; L93-S97 PolarHBondContact O-N 3.25Å; L93-A98 HydrophobicContact CB-CB 3.91Å; L93-A98 WeakPolarHBondContact O-CB 3.45Å; L93-A98 PolarHBondContact O-N 3.47Å |
| 94 | L | 93.1 | Very high | 92.3 | Very high | 27 Ų | 27 | 45.5 Ų | 45.5 | 14% | 0.141 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.5 | -42 | 176.9 | -66.3 | 173.6 | 0 | 0 | 0 | 112.6 | L78 V90 Q91 I92 H96 S97 V100 A125 L126 L129 | L78-L94 HydrophobicContact CD1-CD2 4.45Å; L78-L94 HydrophobicContact CD2-CD2 4.23Å; V90-L94 HydrophobicContact CG1-CD1 3.7Å; V90-L94 HydrophobicContact CG1-CG 4.19Å; V90-L94 WeakPolarHBondContact O-CB 3.41Å; V90-L94 WeakPolarHBondContact O-CG 3.49Å; V90-L94 PolarHBondContact O-N 3.22Å; Q91-L94 PolarHBondContact O-N 3.02Å; I92-L94 VanDerWaalsContact C-N 3.3Å; I92-L94 PolarHBondContact O-N 3.04Å; L94-H96 PolarHBondContact O-N 3.25Å; L94-S97 PolarHBondContact O-N 3.35Å; L94-V100 HydrophobicContact CD2-CG1 3.23Å; L94-A125 HydrophobicContact CD1-CB 4.13Å; L94-L126 HydrophobicContact CD1-CD2 4.27Å; L94-L126 HydrophobicContact CD2-CD2 4.06Å; L94-L129 HydrophobicContact CB-CD1 4.25Å; L94-L129 HydrophobicContact CD1-CD1 3.93Å; L94-L129 HydrophobicContact CD2-CD1 3.9Å; L94-L129 HydrophobicContact CG-CD1 4.23Å |
| 95 | K | 93.5 | Very high | 92.5 | Very high | 142 Ų | 142 | 48.7 Ų | 48.7 | 62% | 0.617 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -54.8 | -36.1 | 173.8 | -179.9 | -172.3 | 173.2 | -165.7 | 0 | 111.4 | E58 Q91 I92 S97 | E58-K95 IonicContact OE1-NZ 3.43Å; E58-K95 PolarHBondContact OE1-NZ 2.93Å; Q91-K95 WeakPolarHBondContact O-CB 3.38Å; Q91-K95 PolarHBondContact O-N 3.4Å; I92-K95 WeakPolarHBondContact O-CB 3.32Å; I92-K95 PolarHBondContact O-N 3.22Å; K95-S97 VanDerWaalsContact C-N 3.35Å; K95-S97 PolarHBondContact O-N 3.38Å |
| 96 | H | 92.9 | Very high | 92.7 | Very high | 51 Ų | 51 | 50 Ų | 50 | 24% | 0.236 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 28.5 | 176.7 | -69.5 | -79.4 | 0 | 0 | 0 | 114.1 | I61 V67 I92 L93 L94 A98 | I61-H96 HydrophobicContact CD1-CB 4.22Å; I61-H96 HydrophobicContact CG2-CB 3.84Å; V67-H96 HydrophobicContact CG2-CB 4.25Å; I92-H96 PolarHBondContact O-CD2 2.92Å; I92-H96 VanDerWaalsContact O-CD2 3.31Å; I92-H96 PolarHBondContact O-N 3.45Å; I92-H96 VanDerWaalsContact O-N 3.12Å; L93-H96 CarbonylContact O-C 3.44Å; L93-H96 PolarHBondContact O-N 3.49Å; L94-H96 PolarHBondContact O-N 3.25Å; H96-A98 PolarHBondContact O-N 3.02Å |
| 97 | S | 90.6 | Very high | 92.9 | Very high | 96 Ų | 96 | 54.4 Ų | 54.4 | 67% | 0.671 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 39.1 | 172.6 | -54.5 | 0 | 0 | 0 | 0 | 114.7 | N68 L93 L94 K95 | N68-S97 PolarHBondContact ND2-O 3.11Å; L93-S97 PolarHBondContact O-N 3.25Å; L94-S97 PolarHBondContact O-N 3.35Å; K95-S97 VanDerWaalsContact C-N 3.35Å; K95-S97 PolarHBondContact O-N 3.38Å |
| 98 | A | 92.6 | Very high | 93 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | trans | -62.3 | 136.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V67 N68 L78 L93 H96 V100 | V67-A98 HydrophobicContact CG1-CB 3.67Å; N68-A98 WeakPolarHBondContact OD1-CA 3.39Å; L78-A98 HydrophobicContact CB-CB 4.32Å; L78-A98 HydrophobicContact CD2-CB 4.02Å; L93-A98 HydrophobicContact CB-CB 3.91Å; L93-A98 WeakPolarHBondContact O-CB 3.45Å; L93-A98 PolarHBondContact O-N 3.47Å; H96-A98 PolarHBondContact O-N 3.02Å; A98-V100 PolarHBondContact O-N 2.86Å | ||
| 99 | D | 92.4 | Very high | 93.1 | Very high | 68 Ų | 68 | 50.2 Ų | 50.2 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | trans | -76 | 106 | -179.4 | 178.3 | 13.8 | 0 | 0 | 0 | 111.1 | N68 N101 A102 | N68-D99 PolarHBondContact OD1-N 3.49Å; D99-N101 PolarHBondContact O-N 3.23Å; D99-N101 WeakPolarHBondContact OD1-CA 3.4Å; D99-N101 PolarHBondContact OD1-N 3.22Å; D99-A102 HydrophobicContact CB-CB 4.18Å; D99-A102 WeakPolarHBondContact O-CB 3.3Å; D99-A102 PolarHBondContact O-N 3.03Å; D99-A102 PolarHBondContact OD1-N 3.42Å; D99-A102 WeakPolarHBondContact OD2-CA 3.27Å; D99-A102 PolarHBondContact OD2-N 3.32Å | ||
| 100 | V | 92.4 | Very high | 93.2 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -18.3 | 176.4 | -63.4 | 0 | 0 | 0 | 0 | 113.9 | L78 L94 A98 P110 L126 L129 L130 | L78-V100 HydrophobicContact CD2-CG1 4.2Å; L94-V100 HydrophobicContact CD2-CG1 3.23Å; A98-V100 PolarHBondContact O-N 2.86Å; V100-P110 WeakPolarHBondContact O-CD 3.27Å; V100-L126 HydrophobicContact CB-CD2 4.32Å; V100-L126 HydrophobicContact CG1-CD2 3.72Å; V100-L129 HydrophobicContact CG1-CB 4.25Å; V100-L129 HydrophobicContact CG2-CB 4.32Å; V100-L129 WeakPolarHBondContact CG2-O 3.37Å; V100-L130 HydrophobicContact CB-CD2 3.92Å; V100-L130 HydrophobicContact CG2-CD2 3.89Å |
| 101 | N | 91.9 | Very high | 93.3 | Very high | 57 Ų | 57 | 50.3 Ų | 50.3 | 31% | 0.305 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 3.4 | 180 | -63.2 | -58.6 | 0 | 0 | 0 | 112.5 | D99 R103 L130 | D99-N101 PolarHBondContact O-N 3.23Å; D99-N101 WeakPolarHBondContact OD1-CA 3.4Å; D99-N101 PolarHBondContact OD1-N 3.22Å; N101-R103 PolarHBondContact O-N 3.07Å; N101-L130 WeakPolarHBondContact OD1-CD2 3.47Å |
| 102 | A | 92 | Very high | 93.3 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | trans | -55.1 | 134.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | T76 H79 D99 T109 P110 | T76-A102 HydrophobicContact CG2-CB 3.8Å; H79-A102 PolarHBondContact CE1-O 3.45Å; H79-A102 PolarHBondContact NE2-O 3.37Å; D99-A102 HydrophobicContact CB-CB 4.18Å; D99-A102 WeakPolarHBondContact O-CB 3.3Å; D99-A102 PolarHBondContact O-N 3.03Å; D99-A102 PolarHBondContact OD1-N 3.42Å; D99-A102 WeakPolarHBondContact OD2-CA 3.27Å; D99-A102 PolarHBondContact OD2-N 3.32Å; A102-T109 WeakPolarHBondContact O-CA 3.42Å; A102-P110 WeakPolarHBondContact O-CD 3.03Å | ||
| 103 | R | 93.9 | Very high | 93.3 | Very high | 104 Ų | 104 | 45.6 Ų | 45.6 | 39% | 0.392 | 22% | 0.222 | S | C | . | . | trans | -110.6 | 134.8 | 179.7 | -70.5 | -176.8 | -176.1 | 179.3 | 1.8 | 111.6 | K70 N101 Q108 T109 | K70-R103 PolarHBondContact NZ-O 2.78Å; N101-R103 PolarHBondContact O-N 3.07Å; R103-Q108 WeakPolarHBondContact CA-O 3.14Å; R103-T109 HydrophobicContact CG-CG2 4.2Å | ||
| 104 | D | 93.8 | Very high | 93.4 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | trans | -78.6 | -175.9 | 169.8 | 86.9 | -18.2 | 0 | 0 | 0 | 112 | L75 N106 W107 Q108 | L75-D104 HydrophobicContact CD2-CB 3.77Å; L75-D104 HydrophobicContact CG-CB 4.41Å; D104-N106 PolarHBondContact O-N 3.13Å; D104-N106 VanDerWaalsContact OD1-C 3.25Å; D104-N106 VanDerWaalsContact OD1-CA 3.28Å; D104-N106 WeakPolarHBondContact OD1-CA 3.43Å; D104-N106 WeakPolarHBondContact OD1-CB 3.35Å; D104-N106 PolarHBondContact OD1-N 3.07Å; D104-W107 PolarHBondContact O-N 3.28Å; D104-W107 PolarHBondContact OD1-N 3.35Å; D104-Q108 PolarHBondContact N-O 2.93Å; D104-Q108 WeakPolarHBondContact OD1-CB 3.34Å; D104-Q108 PolarHBondContact OD1-N 3.48Å | ||
| 105 | K | 93.4 | Very high | 93.5 | Very high | 105 Ų | 105 | 44.3 Ų | 44.3 | 46% | 0.457 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -23.2 | 177 | -82.7 | -174.5 | 173.2 | 171.2 | 0 | 114.8 | S72 K73 W74 W107 | S72-K105 WeakPolarHBondContact O-CE 3.29Å; S72-K105 PolarHBondContact O-NZ 3.44Å; K73-K105 WeakPolarHBondContact O-CG 3.42Å; K73-K105 PolarHBondContact O-N 3.42Å; W74-K105 HydrophobicContact CB-CG 4.37Å; W74-K105 HydrophobicContact CD2-CG 3.95Å; W74-K105 HydrophobicContact CE3-CG 4.32Å; W74-K105 HydrophobicContact CG-CG 3.96Å; K105-W107 VanDerWaalsContact C-N 3.33Å |
| 106 | N | 93.3 | Very high | 93.5 | Very high | 86 Ų | 86 | 39 Ų | 39 | 46% | 0.46 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 7.1 | 176.1 | -64.6 | -35.3 | 0 | 0 | 0 | 112.5 | D104 Q108 R138 | D104-N106 PolarHBondContact O-N 3.13Å; D104-N106 VanDerWaalsContact OD1-C 3.25Å; D104-N106 VanDerWaalsContact OD1-CA 3.28Å; D104-N106 WeakPolarHBondContact OD1-CA 3.43Å; D104-N106 WeakPolarHBondContact OD1-CB 3.35Å; D104-N106 PolarHBondContact OD1-N 3.07Å; N106-Q108 HydrophobicContact CB-CG 4Å; N106-Q108 PolarHBondContact O-N 3.01Å; N106-R138 WeakPolarHBondContact O-CB 3.33Å; N106-R138 PolarHBondContact O-N 3.18Å |
| 107 | W | 93.4 | Very high | 93.4 | Very high | 125 Ų | 125 | 40 Ų | 40 | 47% | 0.473 | 21% | 0.205 | S | C | . | . | trans | 61.6 | 21.8 | -173.6 | -58.5 | 4.9 | 0 | 0 | 0 | 113.8 | D104 K105 R138 | D104-W107 PolarHBondContact O-N 3.28Å; D104-W107 PolarHBondContact OD1-N 3.35Å; K105-W107 VanDerWaalsContact C-N 3.33Å; W107-R138 HydrophobicContact CB-CB 4.35Å; W107-R138 HydrophobicContact CD2-CB 4.45Å; W107-R138 HydrophobicContact CG-CB 4.25Å | ||
| 108 | Q | 94.6 | Very high | 93.5 | Very high | 33 Ų | 33 | 42 Ų | 42 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | trans | -76.4 | 136.9 | 172.3 | -61.5 | -174.4 | -66.9 | 0 | 0 | 109 | H79 R103 D104 N106 H112 D137 H146 | H79-Q108 PolarHBondContact NE2-O 3.11Å; R103-Q108 WeakPolarHBondContact CA-O 3.14Å; D104-Q108 PolarHBondContact N-O 2.93Å; D104-Q108 WeakPolarHBondContact OD1-CB 3.34Å; D104-Q108 PolarHBondContact OD1-N 3.48Å; N106-Q108 HydrophobicContact CB-CG 4Å; N106-Q108 PolarHBondContact O-N 3.01Å; Q108-H112 HydrophobicContact CB-CB 4Å; Q108-H112 HydrophobicContact CG-CB 4.37Å; Q108-D137 HydrophobicContact CG-CB 4.03Å; Q108-H146 PolarHBondContact NE2-CE1 3.11Å | ||
| 109 | T | 94.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | trans | -94 | 166.6 | 170.3 | 65.7 | 0 | 0 | 0 | 0 | 110 | A102 R103 L111 H112 I113 V135 | A102-T109 WeakPolarHBondContact O-CA 3.42Å; R103-T109 HydrophobicContact CG-CG2 4.2Å; T109-L111 PolarHBondContact O-N 3.19Å; T109-L111 VanDerWaalsContact O-N 3.14Å; T109-H112 PolarHBondContact N-ND1 3.46Å; T109-H112 VanDerWaalsContact N-ND1 3.14Å; T109-H112 WeakPolarHBondContact O-CB 3.48Å; T109-H112 PolarHBondContact O-N 3.15Å; T109-H112 PolarHBondContact OG1-ND1 3.46Å; T109-I113 PolarHBondContact O-N 3Å; T109-V135 HydrophobicContact CG2-CG1 4.09Å | ||
| 110 | P | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -51.9 | -35.6 | 172.6 | -27.6 | 35.3 | 0 | 0 | 0 | 112.8 | L78 H79 V82 V100 A102 H112 I113 A114 L126 | L78-P110 HydrophobicContact CD2-CB 4.33Å; L78-P110 HydrophobicContact CD2-CG 3.92Å; L78-P110 HydrophobicContact CG-CB 4.24Å; L78-P110 HydrophobicContact CG-CG 4.09Å; H79-P110 WeakPolarHBondContact NE2-CD 3.37Å; V82-P110 WeakPolarHBondContact CG1-O 3.48Å; V82-P110 HydrophobicContact CG2-CB 4.16Å; V100-P110 WeakPolarHBondContact O-CD 3.27Å; A102-P110 WeakPolarHBondContact O-CD 3.03Å; P110-H112 PolarHBondContact O-N 2.88Å; P110-I113 PolarHBondContact O-N 2.76Å; P110-A114 PolarHBondContact O-N 3.32Å; P110-L126 HydrophobicContact CB-CD1 4.12Å; P110-L126 HydrophobicContact CB-CD2 4.5Å |
| 111 | L | 94.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -37.4 | 175.5 | -173.7 | 67 | 0 | 0 | 0 | 113.1 | T109 I113 A114 A115 A123 V127 L130 V133 A143 L159 | T109-L111 PolarHBondContact O-N 3.19Å; T109-L111 VanDerWaalsContact O-N 3.14Å; L111-I113 VanDerWaalsContact C-N 3.3Å; L111-I113 PolarHBondContact O-N 3.41Å; L111-A114 PolarHBondContact O-N 3.25Å; L111-A115 VanDerWaalsContact O-CB 3.3Å; L111-A115 WeakPolarHBondContact O-CB 3.44Å; L111-A115 PolarHBondContact O-N 3.26Å; L111-A123 HydrophobicContact CD1-CB 3.92Å; L111-V127 HydrophobicContact CD1-CG2 3.85Å; L111-L130 HydrophobicContact CB-CD1 3.93Å; L111-L130 HydrophobicContact CD1-CD1 4.34Å; L111-L130 HydrophobicContact CD2-CD1 3.51Å; L111-L130 HydrophobicContact CG-CD1 4.11Å; L111-V133 HydrophobicContact CD2-CG1 4.02Å; L111-A143 HydrophobicContact CD2-CB 3.86Å; L111-A143 HydrophobicContact CG-CB 3.82Å; L111-L159 HydrophobicContact CD1-CD2 4.17Å; L111-L159 HydrophobicContact CD2-CD2 4.09Å; L111-L159 HydrophobicContact CG-CD2 4.41Å |
| 112 | H | 95.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 175.5 | -68.7 | 88.2 | 0 | 0 | 0 | 111.3 | Q108 T109 P110 A115 A116 V135 R141 H146 | Q108-H112 HydrophobicContact CB-CB 4Å; Q108-H112 HydrophobicContact CG-CB 4.37Å; T109-H112 PolarHBondContact N-ND1 3.46Å; T109-H112 VanDerWaalsContact N-ND1 3.14Å; T109-H112 WeakPolarHBondContact O-CB 3.48Å; T109-H112 PolarHBondContact O-N 3.15Å; T109-H112 PolarHBondContact OG1-ND1 3.46Å; P110-H112 PolarHBondContact O-N 2.88Å; H112-A115 PolarHBondContact O-N 2.87Å; H112-A116 PolarHBondContact O-N 3.11Å; H112-V135 PolarHBondContact CE1-O 2.84Å; H112-V135 PolarHBondContact NE2-O 2.93Å; H112-V135 VanDerWaalsContact NE2-O 3.07Å; H112-R141 PolarHBondContact NE2-O 3.39Å; H112-R141 VanDerWaalsContact NE2-O 3.16Å; H112-H146 AromaticContact CD2-CD2 3.64Å; H112-H146 AromaticContact CD2-NE2 3.87Å |
| 113 | I | 93.6 | Very high | 93.7 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 11% | 0.108 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.2 | -41.5 | 176.4 | -61 | -169.9 | 0 | 0 | 0 | 110.7 | L75 H79 V82 A83 T109 P110 L111 A115 A116 N117 | L75-I113 HydrophobicContact CD2-CD1 4.01Å; H79-I113 HydrophobicContact CB-CD1 3.81Å; H79-I113 VanDerWaalsContact CD2-CD1 3.47Å; H79-I113 WeakPolarHBondContact CD2-CD1 3.29Å; V82-I113 HydrophobicContact CG1-CB 4.33Å; V82-I113 HydrophobicContact CG1-CG2 4.22Å; A83-I113 HydrophobicContact CB-CG2 3.8Å; T109-I113 PolarHBondContact O-N 3Å; P110-I113 PolarHBondContact O-N 2.76Å; L111-I113 VanDerWaalsContact C-N 3.3Å; L111-I113 PolarHBondContact O-N 3.41Å; I113-A115 VanDerWaalsContact C-N 3.28Å; I113-A115 PolarHBondContact O-N 2.85Å; I113-A116 PolarHBondContact O-N 3.04Å; I113-N117 VanDerWaalsContact CG2-ND2 3.34Å; I113-N117 WeakPolarHBondContact CG2-ND2 3.34Å; I113-N117 PolarHBondContact O-N 2.92Å; I113-N117 VanDerWaalsContact O-N 3.11Å; I113-N117 PolarHBondContact O-ND2 3.25Å |
| 114 | A | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.7 | -46.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V82 P110 L111 A116 N117 K118 A119 A123 M155 | V82-A114 VanDerWaalsContact CG1-CA 3.45Å; V82-A114 HydrophobicContact CG1-CB 3.47Å; V82-A114 VanDerWaalsContact CG1-CB 3.47Å; P110-A114 PolarHBondContact O-N 3.32Å; L111-A114 PolarHBondContact O-N 3.25Å; A114-A116 VanDerWaalsContact C-N 3.32Å; A114-A116 PolarHBondContact O-N 3.45Å; A114-N117 PolarHBondContact O-N 2.91Å; A114-K118 PolarHBondContact O-N 2.94Å; A114-A119 HydrophobicContact CB-CB 4.16Å; A114-A119 PolarHBondContact O-N 2.92Å; A114-A119 VanDerWaalsContact O-N 3.11Å; A114-A123 HydrophobicContact CB-CB 4.11Å; A114-M155 HydrophobicContact CB-CE 4.37Å; A114-M155 WeakPolarHBondContact O-CE 3.34Å |
| 115 | A | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -35.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L111 H112 I113 A143 H146 A147 H152 M155 L159 | L111-A115 VanDerWaalsContact O-CB 3.3Å; L111-A115 WeakPolarHBondContact O-CB 3.44Å; L111-A115 PolarHBondContact O-N 3.26Å; H112-A115 PolarHBondContact O-N 2.87Å; I113-A115 VanDerWaalsContact C-N 3.28Å; I113-A115 PolarHBondContact O-N 2.85Å; A115-A143 HydrophobicContact CB-CB 3.98Å; A115-A143 VanDerWaalsContact CB-O 3.25Å; A115-A143 WeakPolarHBondContact CB-O 3.31Å; A115-H146 HydrophobicContact CB-CB 4.23Å; A115-A147 HydrophobicContact CB-CB 4.17Å; A115-A147 WeakPolarHBondContact O-CA 3.1Å; A115-H152 PolarHBondContact O-CD2 3.36Å; A115-M155 HydrophobicContact CB-CG 4.27Å; A115-L159 HydrophobicContact CB-CD1 4.4Å |
| 116 | A | 93.6 | Very high | 93.4 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 24% | 0.24 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -74.1 | -32.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | H112 I113 A114 H146 S150 H152 | H112-A116 PolarHBondContact O-N 3.11Å; I113-A116 PolarHBondContact O-N 3.04Å; A114-A116 VanDerWaalsContact C-N 3.32Å; A114-A116 PolarHBondContact O-N 3.45Å; A116-H146 HydrophobicContact CB-CB 4.45Å; A116-S150 PolarHBondContact O-OG 2.84Å; A116-H152 PolarHBondContact O-CD2 3Å; A116-H152 PolarHBondContact O-NE2 3.19Å |
| 117 | N | 91.4 | Very high | 93.2 | Very high | 74 Ų | 74 | 35.1 Ų | 35.1 | 40% | 0.396 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 10.7 | -171.4 | -67.2 | -64.9 | 0 | 0 | 0 | 115.3 | C85 I113 A114 A119 | C85-N117 PolarHBondContact SG-O 2.67Å; I113-N117 VanDerWaalsContact CG2-ND2 3.34Å; I113-N117 WeakPolarHBondContact CG2-ND2 3.34Å; I113-N117 PolarHBondContact O-N 2.92Å; I113-N117 VanDerWaalsContact O-N 3.11Å; I113-N117 PolarHBondContact O-ND2 3.25Å; A114-N117 PolarHBondContact O-N 2.91Å; N117-A119 PolarHBondContact O-N 3.43Å |
| 118 | K | 92.6 | Very high | 92.9 | Very high | 136 Ų | 136 | 33.7 Ų | 33.7 | 59% | 0.591 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 24.2 | -176.6 | -155.1 | -176.7 | 171.9 | -179.8 | 0 | 113.9 | A114 V120 H152 | A114-K118 PolarHBondContact O-N 2.94Å; K118-V120 PolarHBondContact O-N 3.32Å; K118-H152 HydrophobicContact CG-CB 4.25Å; K118-H152 PolarHBondContact N-CD2 2.97Å; K118-H152 PolarHBondContact N-NE2 3.3Å |
| 119 | A | 93.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | trans | -80.1 | 63.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C85 A114 N117 R121 C122 A123 M155 | C85-A119 HydrophobicContact CB-CB 4.18Å; A114-A119 HydrophobicContact CB-CB 4.16Å; A114-A119 PolarHBondContact O-N 2.92Å; A114-A119 VanDerWaalsContact O-N 3.11Å; N117-A119 PolarHBondContact O-N 3.43Å; A119-R121 PolarHBondContact O-N 3.36Å; A119-C122 HydrophobicContact CB-CB 3.93Å; A119-C122 PolarHBondContact O-N 3Å; A119-A123 PolarHBondContact O-N 3.39Å; A119-M155 VanDerWaalsContact C-CE 3.45Å; A119-M155 WeakPolarHBondContact O-CE 3.43Å | ||
| 120 | V | 93.8 | Very high | 92.1 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 19% | 0.188 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.8 | -48.5 | -172.6 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | K118 C122 A123 E124 E154 M155 L158 | K118-V120 PolarHBondContact O-N 3.32Å; V120-C122 PolarHBondContact O-N 3.26Å; V120-A123 CarbonylContact O-C 3.4Å; V120-A123 WeakPolarHBondContact O-CA 3.3Å; V120-A123 WeakPolarHBondContact O-CB 3.47Å; V120-A123 PolarHBondContact O-N 2.82Å; V120-A123 VanDerWaalsContact O-N 3.08Å; V120-E124 WeakPolarHBondContact O-CG 3.13Å; V120-E124 PolarHBondContact O-N 3.28Å; V120-E154 HydrophobicContact CG2-CB 4.19Å; V120-M155 HydrophobicContact CB-CE 4.35Å; V120-M155 HydrophobicContact CG2-CB 4.25Å; V120-M155 HydrophobicContact CG2-CE 4.04Å; V120-L158 HydrophobicContact CG1-CD2 3.94Å |
| 121 | R | 93.2 | Very high | 91.5 | Very high | 148 Ų | 148 | 42.6 Ų | 42.6 | 56% | 0.558 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62 | -41.2 | 179 | -64.2 | -179.2 | 69.1 | -170.6 | -6.8 | 112.4 | E87 A119 A123 E124 A125 | E87-R121 HydrophobicContact CB-CB 4.31Å; E87-R121 HydrophobicContact CG-CB 4.41Å; E87-R121 WeakPolarHBondContact OE2-CB 3.43Å; E87-R121 IonicContact OE2-CZ 3.89Å; E87-R121 IonicContact OE2-NE 3.79Å; E87-R121 PolarHBondContact OE2-NE 3.04Å; E87-R121 IonicContact OE2-NH1 3.25Å; E87-R121 IonicContact OE2-NH2 3.74Å; E87-R121 PolarHBondContact OE2-NH2 3.13Å; A119-R121 PolarHBondContact O-N 3.36Å; R121-A123 VanDerWaalsContact C-N 3.34Å; R121-A123 PolarHBondContact O-N 2.85Å; R121-E124 WeakPolarHBondContact O-CB 3.43Å; R121-E124 PolarHBondContact O-N 3.26Å; R121-A125 PolarHBondContact O-N 2.95Å; R121-A125 VanDerWaalsContact O-N 3.15Å |
| 122 | C | 92.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -41.3 | 173 | -57 | 0 | 0 | 0 | 0 | 111.6 | V90 A119 V120 E124 A125 L126 | V90-C122 HydrophobicContact CG2-CB 4.23Å; A119-C122 HydrophobicContact CB-CB 3.93Å; A119-C122 PolarHBondContact O-N 3Å; V120-C122 PolarHBondContact O-N 3.26Å; C122-E124 VanDerWaalsContact C-N 3.35Å; C122-A125 PolarHBondContact O-N 2.85Å; C122-L126 WeakPolarHBondContact O-CG 2.89Å; C122-L126 PolarHBondContact O-N 3.01Å |
| 123 | A | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.3 | -36.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L111 A114 A119 V120 R121 A125 L126 V127 M155 L158 | L111-A123 HydrophobicContact CD1-CB 3.92Å; A114-A123 HydrophobicContact CB-CB 4.11Å; A119-A123 PolarHBondContact O-N 3.39Å; V120-A123 CarbonylContact O-C 3.4Å; V120-A123 WeakPolarHBondContact O-CA 3.3Å; V120-A123 WeakPolarHBondContact O-CB 3.47Å; V120-A123 PolarHBondContact O-N 2.82Å; V120-A123 VanDerWaalsContact O-N 3.08Å; R121-A123 VanDerWaalsContact C-N 3.34Å; R121-A123 PolarHBondContact O-N 2.85Å; A123-A125 VanDerWaalsContact C-N 3.29Å; A123-A125 PolarHBondContact O-N 3.19Å; A123-L126 PolarHBondContact O-N 3.19Å; A123-V127 WeakPolarHBondContact O-CB 3.21Å; A123-V127 WeakPolarHBondContact O-CG2 3.46Å; A123-V127 PolarHBondContact O-N 2.92Å; A123-M155 HydrophobicContact CB-CE 3.73Å; A123-M155 HydrophobicContact CB-SD 3.81Å; A123-L158 HydrophobicContact CB-CD2 3.79Å |
| 124 | E | 92.9 | Very high | 90.8 | Very high | 89 Ų | 89 | 48.6 Ų | 48.6 | 42% | 0.416 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.9 | -38.1 | 174 | -73.1 | 179.3 | 151.5 | 0 | 0 | 112.5 | V120 R121 C122 P128 L158 | V120-E124 WeakPolarHBondContact O-CG 3.13Å; V120-E124 PolarHBondContact O-N 3.28Å; R121-E124 WeakPolarHBondContact O-CB 3.43Å; R121-E124 PolarHBondContact O-N 3.26Å; C122-E124 VanDerWaalsContact C-N 3.35Å; E124-P128 WeakPolarHBondContact O-CD 3.38Å; E124-P128 WeakPolarHBondContact O-CG 3.37Å; E124-L158 HydrophobicContact CG-CD1 3.75Å; E124-L158 HydrophobicContact CG-CD2 3.66Å; E124-L158 HydrophobicContact CG-CG 4.37Å |
| 125 | A | 91 | Very high | 90.8 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 19% | 0.19 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.8 | -34.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | V90 L94 R121 C122 A123 | V90-A125 HydrophobicContact CG1-CB 4.39Å; L94-A125 HydrophobicContact CD1-CB 4.13Å; R121-A125 PolarHBondContact O-N 2.95Å; R121-A125 VanDerWaalsContact O-N 3.15Å; C122-A125 PolarHBondContact O-N 2.85Å; A123-A125 VanDerWaalsContact C-N 3.29Å; A123-A125 PolarHBondContact O-N 3.19Å |
| 126 | L | 91.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -78.2 | -45.3 | -177.6 | -70.6 | 167.7 | 0 | 0 | 0 | 113.3 | L78 V82 V90 L94 V100 P110 C122 A123 P128 L129 L130 | L78-L126 HydrophobicContact CD1-CD2 4.38Å; L78-L126 HydrophobicContact CD2-CD2 4.13Å; V82-L126 HydrophobicContact CG2-CD1 3.81Å; V90-L126 HydrophobicContact CG1-CD2 4.37Å; V90-L126 HydrophobicContact CG1-CG 4.39Å; L94-L126 HydrophobicContact CD1-CD2 4.27Å; L94-L126 HydrophobicContact CD2-CD2 4.06Å; V100-L126 HydrophobicContact CB-CD2 4.32Å; V100-L126 HydrophobicContact CG1-CD2 3.72Å; P110-L126 HydrophobicContact CB-CD1 4.12Å; P110-L126 HydrophobicContact CB-CD2 4.5Å; C122-L126 WeakPolarHBondContact O-CG 2.89Å; C122-L126 PolarHBondContact O-N 3.01Å; A123-L126 PolarHBondContact O-N 3.19Å; L126-P128 VanDerWaalsContact C-CD 3.49Å; L126-L129 PolarHBondContact O-N 3.31Å; L126-L130 WeakPolarHBondContact O-CG 3.49Å; L126-L130 PolarHBondContact O-N 3.19Å |
| 127 | V | 88.6 | Confident | 90.8 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -56.2 | -42.3 | -169.1 | 167.1 | 0 | 0 | 0 | 0 | 114 | L111 A123 L129 L130 V133 R162 | L111-V127 HydrophobicContact CD1-CG2 3.85Å; A123-V127 WeakPolarHBondContact O-CB 3.21Å; A123-V127 WeakPolarHBondContact O-CG2 3.46Å; A123-V127 PolarHBondContact O-N 2.92Å; V127-L129 PolarHBondContact O-N 3.5Å; V127-L130 HydrophobicContact CG2-CD1 4.42Å; V127-L130 PolarHBondContact O-N 2.8Å; V127-V133 HydrophobicContact CG1-CG2 4Å; V127-R162 HydrophobicContact CG1-CB 3.71Å; V127-R162 HydrophobicContact CG1-CG 3.83Å |
| 128 | P | 87.7 | Confident | 90.9 | Very high | 94 Ų | 94 | 54.8 Ų | 54.8 | 61% | 0.61 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -62.2 | -24.4 | 177.3 | -23.8 | 34.8 | 0 | 0 | 0 | 114.3 | E124 L126 | E124-P128 WeakPolarHBondContact O-CD 3.38Å; E124-P128 WeakPolarHBondContact O-CG 3.37Å; L126-P128 VanDerWaalsContact C-CD 3.49Å |
| 129 | L | 88 | Confident | 90.9 | Very high | 100 Ų | 100 | 50.1 Ų | 50.1 | 52% | 0.524 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -95 | -8.3 | -178.3 | -58.3 | 173.9 | 0 | 0 | 0 | 112.4 | L94 V100 L126 V127 | L94-L129 HydrophobicContact CB-CD1 4.25Å; L94-L129 HydrophobicContact CD1-CD1 3.93Å; L94-L129 HydrophobicContact CD2-CD1 3.9Å; L94-L129 HydrophobicContact CG-CD1 4.23Å; V100-L129 HydrophobicContact CG1-CB 4.25Å; V100-L129 HydrophobicContact CG2-CB 4.32Å; V100-L129 WeakPolarHBondContact CG2-O 3.37Å; L126-L129 PolarHBondContact O-N 3.31Å; V127-L129 PolarHBondContact O-N 3.5Å |
| 130 | L | 85.6 | Confident | 90.9 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 12% | 0.115 | 28% | 0.275 | C | S | . | . | trans | -78.8 | 136.9 | 178.5 | -71.1 | 171.5 | 0 | 0 | 0 | 110.9 | V100 N101 L111 L126 V127 N132 | V100-L130 HydrophobicContact CB-CD2 3.92Å; V100-L130 HydrophobicContact CG2-CD2 3.89Å; N101-L130 WeakPolarHBondContact OD1-CD2 3.47Å; L111-L130 HydrophobicContact CB-CD1 3.93Å; L111-L130 HydrophobicContact CD1-CD1 4.34Å; L111-L130 HydrophobicContact CD2-CD1 3.51Å; L111-L130 HydrophobicContact CG-CD1 4.11Å; L126-L130 WeakPolarHBondContact O-CG 3.49Å; L126-L130 PolarHBondContact O-N 3.19Å; V127-L130 HydrophobicContact CG2-CD1 4.42Å; V127-L130 PolarHBondContact O-N 2.8Å; L130-N132 VanDerWaalsContact C-N 3.32Å | ||
| 131 | S | 81.7 | Confident | 91 | Very high | 104 Ų | 104 | 52.1 Ų | 52.1 | 73% | 0.727 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -72.3 | -28.8 | 172.6 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 132 | N | 86.8 | Confident | 91.1 | Very high | 82 Ų | 82 | 45.4 Ų | 45.4 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | trans | -153.9 | 124 | 178.4 | -173.8 | -3.5 | 0 | 0 | 0 | 111 | L130 N134 V135 | L130-N132 VanDerWaalsContact C-N 3.32Å; N132-N134 VanDerWaalsContact C-N 3.3Å; N132-N134 WeakPolarHBondContact OD1-CA 3.19Å; N132-N134 WeakPolarHBondContact OD1-CB 3.49Å; N132-N134 PolarHBondContact OD1-N 3.34Å; N132-V135 HydrophobicContact CB-CG2 4.11Å; N132-V135 WeakPolarHBondContact O-CG2 3.35Å | ||
| 133 | V | 90.3 | Very high | 91.3 | Very high | 19 Ų | 19 | 45.4 Ų | 45.4 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -23 | 176.9 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | L111 V127 V135 L159 A164 | L111-V133 HydrophobicContact CD2-CG1 4.02Å; V127-V133 HydrophobicContact CG1-CG2 4Å; V133-V135 VanDerWaalsContact C-N 3.34Å; V133-V135 PolarHBondContact O-N 3.32Å; V133-L159 HydrophobicContact CG1-CD2 4.04Å; V133-A164 HydrophobicContact CG1-CB 4.25Å |
| 134 | N | 92.2 | Very high | 91.4 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 20.4 | -173.7 | -63.7 | -54.2 | 0 | 0 | 0 | 114 | N132 S136 G163 A164 N165 | N132-N134 VanDerWaalsContact C-N 3.3Å; N132-N134 WeakPolarHBondContact OD1-CA 3.19Å; N132-N134 WeakPolarHBondContact OD1-CB 3.49Å; N132-N134 PolarHBondContact OD1-N 3.34Å; N134-S136 PolarHBondContact O-N 3.23Å; N134-G163 PolarHBondContact ND2-O 2.67Å; N134-G163 VanDerWaalsContact ND2-O 3.16Å; N134-A164 WeakPolarHBondContact OD1-CA 3.4Å; N134-N165 PolarHBondContact OD1-N 3.43Å |
| 135 | V | 92.5 | Very high | 91.6 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 13% | 0.133 | 23% | 0.234 | C | C | . | . | trans | -61.1 | 137.5 | 173.7 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | T109 H112 N132 V133 | T109-V135 HydrophobicContact CG2-CG1 4.09Å; H112-V135 PolarHBondContact CE1-O 2.84Å; H112-V135 PolarHBondContact NE2-O 2.93Å; H112-V135 VanDerWaalsContact NE2-O 3.07Å; N132-V135 HydrophobicContact CB-CG2 4.11Å; N132-V135 WeakPolarHBondContact O-CG2 3.35Å; V133-V135 VanDerWaalsContact C-N 3.34Å; V133-V135 PolarHBondContact O-N 3.32Å | ||
| 136 | S | 94.2 | Very high | 91.8 | Very high | 51 Ų | 51 | 41 Ų | 41 | 36% | 0.357 | 23% | 0.229 | S | C | . | . | B | Isolated β-bridge | trans | -103.1 | 144.9 | 179.4 | 62.7 | 0 | 0 | 0 | 0 | 112.5 | N134 R141 | N134-S136 PolarHBondContact O-N 3.23Å; S136-R141 WeakPolarHBondContact CA-O 3.48Å |
| 137 | D | 94.2 | Very high | 92 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | trans | -71.8 | -178.1 | 169.1 | 77.6 | 6.4 | 0 | 0 | 0 | 112.7 | Q108 A139 G140 R141 H146 | Q108-D137 HydrophobicContact CG-CB 4.03Å; D137-A139 PolarHBondContact O-N 3.48Å; D137-A139 VanDerWaalsContact O-N 3.12Å; D137-A139 VanDerWaalsContact OD1-CA 3.3Å; D137-A139 WeakPolarHBondContact OD1-CA 3.44Å; D137-A139 WeakPolarHBondContact OD1-CB 3.36Å; D137-A139 PolarHBondContact OD1-N 3.37Å; D137-G140 PolarHBondContact O-N 2.87Å; D137-G140 PolarHBondContact OD1-N 3.32Å; D137-G140 VanDerWaalsContact OD1-N 3.11Å; D137-R141 PolarHBondContact N-O 3.39Å; D137-R141 WeakPolarHBondContact OD1-CB 3.49Å; D137-R141 PolarHBondContact OD1-N 3.3Å; D137-R141 IonicContact OD1-NE 3.63Å; D137-R141 IonicContact OD2-CZ 3.71Å; D137-R141 VanDerWaalsContact OD2-CZ 3.25Å; D137-R141 IonicContact OD2-NE 2.84Å; D137-R141 PolarHBondContact OD2-NE 3.22Å; D137-R141 IonicContact OD2-NH2 2.73Å; D137-R141 PolarHBondContact OD2-NH2 3.14Å; D137-H146 IonicContact OD2-CE1 3.86Å; D137-H146 IonicContact OD2-NE2 2.81Å; D137-H146 PolarHBondContact OD2-NE2 3.34Å; D137-H146 VanDerWaalsContact OD2-NE2 3.07Å | ||
| 138 | R | 93.7 | Very high | 92.4 | Very high | 157 Ų | 157 | 40.3 Ų | 40.3 | 59% | 0.592 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.1 | -179.8 | -175.8 | 173.3 | -178.8 | 172.5 | 0.8 | 113.4 | N106 W107 K171 | N106-R138 WeakPolarHBondContact O-CB 3.33Å; N106-R138 PolarHBondContact O-N 3.18Å; W107-R138 HydrophobicContact CB-CB 4.35Å; W107-R138 HydrophobicContact CD2-CB 4.45Å; W107-R138 HydrophobicContact CG-CB 4.25Å; R138-K171 VanDerWaalsContact O-CE 3.22Å; R138-K171 WeakPolarHBondContact O-CE 3.41Å; R138-K171 PolarHBondContact O-NZ 3.19Å |
| 139 | A | 93.3 | Very high | 92.8 | Very high | 38 Ų | 38 | 39.6 Ų | 39.6 | 31% | 0.314 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 2.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | D137 R141 K171 | D137-A139 PolarHBondContact O-N 3.48Å; D137-A139 VanDerWaalsContact O-N 3.12Å; D137-A139 VanDerWaalsContact OD1-CA 3.3Å; D137-A139 WeakPolarHBondContact OD1-CA 3.44Å; D137-A139 WeakPolarHBondContact OD1-CB 3.36Å; D137-A139 PolarHBondContact OD1-N 3.37Å; A139-R141 VanDerWaalsContact C-N 3.35Å; A139-R141 HydrophobicContact CB-CG 4.34Å; A139-K171 WeakPolarHBondContact O-CB 3.18Å; A139-K171 WeakPolarHBondContact O-CG 3.24Å; A139-K171 PolarHBondContact O-N 3.06Å |
| 140 | G | 93.8 | Very high | 93 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 82.9 | 7.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D137 | D137-G140 PolarHBondContact O-N 2.87Å; D137-G140 PolarHBondContact OD1-N 3.32Å; D137-G140 VanDerWaalsContact OD1-N 3.11Å |
| 141 | R | 95.8 | Very high | 93.5 | Very high | 66 Ų | 66 | 36.7 Ų | 36.7 | 25% | 0.249 | 21% | 0.205 | C | C | . | . | trans | -86 | 130.7 | -176.7 | -61.3 | 175.1 | -63.3 | -177.7 | 1.4 | 110.5 | H112 S136 D137 A139 H145 D170 | H112-R141 PolarHBondContact NE2-O 3.39Å; H112-R141 VanDerWaalsContact NE2-O 3.16Å; S136-R141 WeakPolarHBondContact CA-O 3.48Å; D137-R141 PolarHBondContact N-O 3.39Å; D137-R141 WeakPolarHBondContact OD1-CB 3.49Å; D137-R141 PolarHBondContact OD1-N 3.3Å; D137-R141 IonicContact OD1-NE 3.63Å; D137-R141 IonicContact OD2-CZ 3.71Å; D137-R141 VanDerWaalsContact OD2-CZ 3.25Å; D137-R141 IonicContact OD2-NE 2.84Å; D137-R141 PolarHBondContact OD2-NE 3.22Å; D137-R141 IonicContact OD2-NH2 2.73Å; D137-R141 PolarHBondContact OD2-NH2 3.14Å; A139-R141 VanDerWaalsContact C-N 3.35Å; A139-R141 HydrophobicContact CB-CG 4.34Å; R141-H145 HydrophobicContact CB-CB 3.9Å; R141-H145 HydrophobicContact CG-CB 4.36Å; R141-D170 HydrophobicContact CG-CB 3.89Å | ||
| 142 | T | 95.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -83.1 | 169 | 171.9 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | L144 H145 H146 A168 | T142-L144 PolarHBondContact O-N 3Å; T142-H145 PolarHBondContact N-ND1 3.11Å; T142-H145 VanDerWaalsContact N-ND1 3.17Å; T142-H145 WeakPolarHBondContact O-CB 3.32Å; T142-H145 PolarHBondContact O-N 3.21Å; T142-H145 PolarHBondContact OG1-ND1 3.29Å; T142-H146 PolarHBondContact O-CD2 2.9Å; T142-H146 PolarHBondContact O-N 2.91Å; T142-A168 HydrophobicContact CG2-CB 3.95Å |
| 143 | A | 95 | Very high | 94.5 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -52.9 | -36.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | L111 A115 H145 H146 A147 L159 | L111-A143 HydrophobicContact CD2-CB 3.86Å; L111-A143 HydrophobicContact CG-CB 3.82Å; A115-A143 HydrophobicContact CB-CB 3.98Å; A115-A143 VanDerWaalsContact CB-O 3.25Å; A115-A143 WeakPolarHBondContact CB-O 3.31Å; A143-H145 VanDerWaalsContact C-N 3.31Å; A143-H145 PolarHBondContact O-N 3.07Å; A143-H146 PolarHBondContact O-N 3.4Å; A143-A147 PolarHBondContact O-N 3.04Å; A143-L159 HydrophobicContact CB-CD1 4.12Å; A143-L159 HydrophobicContact CB-CD2 4.25Å |
| 144 | L | 96.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61 | -37.7 | 176.2 | -173.4 | 65.9 | 0 | 0 | 0 | 112.5 | T142 A147 A148 V156 L159 L160 A176 L192 | T142-L144 PolarHBondContact O-N 3Å; L144-A147 PolarHBondContact O-N 2.91Å; L144-A148 VanDerWaalsContact O-CB 3.24Å; L144-A148 WeakPolarHBondContact O-CB 3.41Å; L144-A148 PolarHBondContact O-N 3.45Å; L144-V156 HydrophobicContact CD1-CB 4.44Å; L144-V156 HydrophobicContact CD1-CG1 3.89Å; L144-V156 HydrophobicContact CD1-CG2 4.43Å; L144-L159 HydrophobicContact CD1-CB 4.31Å; L144-L159 HydrophobicContact CD1-CD1 4.47Å; L144-L160 HydrophobicContact CD1-CD2 4.28Å; L144-L160 HydrophobicContact CD1-CG 4.32Å; L144-L160 HydrophobicContact CD2-CD2 4.08Å; L144-A176 HydrophobicContact CD2-CB 4.15Å; L144-A176 HydrophobicContact CG-CB 3.96Å; L144-L192 HydrophobicContact CD1-CD2 4.47Å |
| 145 | H | 96.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.6 | -41.7 | 175.8 | -69.2 | 87.4 | 0 | 0 | 0 | 112 | R141 T142 A143 A148 F149 A168 R174 A176 W179 | R141-H145 HydrophobicContact CB-CB 3.9Å; R141-H145 HydrophobicContact CG-CB 4.36Å; T142-H145 PolarHBondContact N-ND1 3.11Å; T142-H145 VanDerWaalsContact N-ND1 3.17Å; T142-H145 WeakPolarHBondContact O-CB 3.32Å; T142-H145 PolarHBondContact O-N 3.21Å; T142-H145 PolarHBondContact OG1-ND1 3.29Å; A143-H145 VanDerWaalsContact C-N 3.31Å; A143-H145 PolarHBondContact O-N 3.07Å; H145-A148 PolarHBondContact O-N 2.97Å; H145-F149 VanDerWaalsContact O-CB 3.25Å; H145-F149 WeakPolarHBondContact O-CB 3.36Å; H145-F149 PolarHBondContact O-N 2.86Å; H145-A168 PolarHBondContact CE1-O 2.67Å; H145-A168 VanDerWaalsContact CE1-O 3.22Å; H145-A168 PolarHBondContact NE2-O 3.06Å; H145-R174 PolarHBondContact NE2-O 3.49Å; H145-R174 VanDerWaalsContact NE2-O 3.09Å; H145-A176 PolarHBondContact NE2-N 3.43Å; H145-W179 AromaticContact CD2-CD1 3.71Å; H145-W179 AromaticContact CD2-NE1 3.78Å |
| 146 | H | 95.4 | Very high | 95 | Very high | 15 Ų | 15 | 31.9 Ų | 31.9 | 7% | 0.069 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.9 | -42.7 | 177.5 | -72.3 | -89.9 | 0 | 0 | 0 | 111.3 | Q108 H112 A115 A116 D137 T142 A143 A148 F149 S150 | Q108-H146 PolarHBondContact NE2-CE1 3.11Å; H112-H146 AromaticContact CD2-CD2 3.64Å; H112-H146 AromaticContact CD2-NE2 3.87Å; A115-H146 HydrophobicContact CB-CB 4.23Å; A116-H146 HydrophobicContact CB-CB 4.45Å; D137-H146 IonicContact OD2-CE1 3.86Å; D137-H146 IonicContact OD2-NE2 2.81Å; D137-H146 PolarHBondContact OD2-NE2 3.34Å; D137-H146 VanDerWaalsContact OD2-NE2 3.07Å; T142-H146 PolarHBondContact O-CD2 2.9Å; T142-H146 PolarHBondContact O-N 2.91Å; A143-H146 PolarHBondContact O-N 3.4Å; H146-A148 PolarHBondContact O-N 3.19Å; H146-F149 PolarHBondContact O-N 3.23Å; H146-S150 PolarHBondContact O-N 2.84Å; H146-S150 PolarHBondContact O-OG 2.79Å |
| 147 | A | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.1 | -41 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A115 A143 L144 S150 G151 H152 M155 V156 L159 | A115-A147 HydrophobicContact CB-CB 4.17Å; A115-A147 WeakPolarHBondContact O-CA 3.1Å; A143-A147 PolarHBondContact O-N 3.04Å; L144-A147 PolarHBondContact O-N 2.91Å; A147-S150 PolarHBondContact O-N 2.98Å; A147-G151 PolarHBondContact O-N 2.91Å; A147-H152 PolarHBondContact O-N 3.31Å; A147-M155 HydrophobicContact CB-CB 4.25Å; A147-M155 HydrophobicContact CB-CG 3.74Å; A147-V156 HydrophobicContact CB-CG2 3.71Å; A147-L159 HydrophobicContact CB-CD1 4.03Å |
| 148 | A | 96 | Very high | 95 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.2 | -38.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | L144 H145 H146 G151 A176 A180 H185 V188 L192 | L144-A148 VanDerWaalsContact O-CB 3.24Å; L144-A148 WeakPolarHBondContact O-CB 3.41Å; L144-A148 PolarHBondContact O-N 3.45Å; H145-A148 PolarHBondContact O-N 2.97Å; H146-A148 PolarHBondContact O-N 3.19Å; A148-G151 PolarHBondContact O-N 3.04Å; A148-A176 HydrophobicContact CB-CB 3.89Å; A148-A176 WeakPolarHBondContact CB-O 3.31Å; A148-A180 HydrophobicContact CB-CB 4.27Å; A148-H185 PolarHBondContact O-CD2 2.78Å; A148-V188 HydrophobicContact CB-CG1 4.19Å; A148-L192 HydrophobicContact CB-CD1 4.48Å |
| 149 | F | 95.6 | Very high | 95 | Very high | 78 Ų | 78 | 27.5 Ų | 27.5 | 34% | 0.342 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64.1 | -39.7 | 174.4 | 179.7 | -93.5 | 0 | 0 | 0 | 112.7 | H145 H146 W179 M183 H185 | H145-F149 VanDerWaalsContact O-CB 3.25Å; H145-F149 WeakPolarHBondContact O-CB 3.36Å; H145-F149 PolarHBondContact O-N 2.86Å; H146-F149 PolarHBondContact O-N 3.23Å; F149-W179 HydrophobicContact CB-CB 4.28Å; F149-W179 HydrophobicContact CD2-CB 4.41Å; F149-W179 HydrophobicContact CD2-CD2 4.1Å; F149-W179 AromaticContact CD2-CE3 3.37Å; F149-W179 HydrophobicContact CD2-CE3 3.37Å; F149-W179 AromaticContact CD2-CZ3 3.81Å; F149-W179 HydrophobicContact CD2-CZ3 3.81Å; F149-W179 AromaticContact CE2-CE3 3.72Å; F149-W179 HydrophobicContact CE2-CE3 3.72Å; F149-W179 AromaticContact CE2-CZ3 3.72Å; F149-W179 HydrophobicContact CE2-CZ3 3.72Å; F149-M183 HydrophobicContact CD2-CE 4.01Å; F149-M183 HydrophobicContact CD2-CG 4.16Å; F149-M183 HydrophobicContact CE1-CE 4.37Å; F149-M183 HydrophobicContact CE2-CE 3.17Å; F149-M183 HydrophobicContact CE2-CG 4.26Å; F149-M183 HydrophobicContact CZ-CE 3.4Å; F149-H185 PolarHBondContact O-NE2 3.25Å |
| 150 | S | 94 | Very high | 95 | Very high | 40 Ų | 40 | 26.9 Ų | 26.9 | 28% | 0.28 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -85.5 | -8.6 | 179.8 | -60.7 | 0 | 0 | 0 | 0 | 114.2 | A116 H146 A147 H152 | A116-S150 PolarHBondContact O-OG 2.84Å; H146-S150 PolarHBondContact O-N 2.84Å; H146-S150 PolarHBondContact O-OG 2.79Å; A147-S150 PolarHBondContact O-N 2.98Å; S150-H152 VanDerWaalsContact CB-CD2 3.42Å; S150-H152 WeakPolarHBondContact CB-CD2 3.49Å; S150-H152 VanDerWaalsContact CB-NE2 3.32Å; S150-H152 WeakPolarHBondContact CB-NE2 3.43Å |
| 151 | G | 94.6 | Very high | 94.9 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 22% | 0.216 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 20 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A147 A148 L153 H185 | A147-G151 PolarHBondContact O-N 2.91Å; A148-G151 PolarHBondContact O-N 3.04Å; G151-L153 PolarHBondContact O-N 3.28Å; G151-H185 WeakPolarHBondContact CA-CD2 3.45Å; G151-H185 VanDerWaalsContact CA-CG 3.4Å; G151-H185 PolarHBondContact N-CD2 3.17Å; G151-H185 VanDerWaalsContact N-CD2 3.29Å; G151-H185 PolarHBondContact N-NE2 3.39Å |
| 152 | H | 95.3 | Very high | 94.7 | Very high | 36 Ų | 36 | 32.3 Ų | 32.3 | 17% | 0.167 | 16% | 0.163 | C | C | . | . | trans | -83.1 | 84.8 | -174.2 | -63.9 | -37.4 | 0 | 0 | 0 | 111.8 | A115 A116 K118 A147 S150 E154 M155 V156 | A115-H152 PolarHBondContact O-CD2 3.36Å; A116-H152 PolarHBondContact O-CD2 3Å; A116-H152 PolarHBondContact O-NE2 3.19Å; K118-H152 HydrophobicContact CG-CB 4.25Å; K118-H152 PolarHBondContact N-CD2 2.97Å; K118-H152 PolarHBondContact N-NE2 3.3Å; A147-H152 PolarHBondContact O-N 3.31Å; S150-H152 VanDerWaalsContact CB-CD2 3.42Å; S150-H152 WeakPolarHBondContact CB-CD2 3.49Å; S150-H152 VanDerWaalsContact CB-NE2 3.32Å; S150-H152 WeakPolarHBondContact CB-NE2 3.43Å; H152-E154 PolarHBondContact O-N 3.22Å; H152-M155 HydrophobicContact CB-CB 3.84Å; H152-M155 WeakPolarHBondContact O-CB 3.41Å; H152-M155 PolarHBondContact O-N 3.44Å; H152-M155 VanDerWaalsContact O-N 3.11Å; H152-V156 WeakPolarHBondContact O-CG2 3.43Å; H152-V156 PolarHBondContact O-N 2.96Å | ||
| 153 | L | 94.9 | Very high | 94.4 | Very high | 47 Ų | 47 | 34.6 Ų | 34.6 | 25% | 0.246 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -51.2 | -52.2 | -175 | -174.7 | 69.9 | 0 | 0 | 0 | 114.2 | G151 M155 V156 R157 E187 V188 L191 | G151-L153 PolarHBondContact O-N 3.28Å; L153-M155 VanDerWaalsContact C-N 3.26Å; L153-M155 PolarHBondContact O-N 3.32Å; L153-V156 WeakPolarHBondContact O-CB 3.41Å; L153-V156 PolarHBondContact O-N 3.2Å; L153-V156 VanDerWaalsContact O-N 3.14Å; L153-R157 PolarHBondContact O-N 3.22Å; L153-E187 HydrophobicContact CD1-CB 4.21Å; L153-E187 WeakPolarHBondContact CD1-O 3.33Å; L153-E187 HydrophobicContact CD2-CB 4.33Å; L153-V188 HydrophobicContact CB-CG2 4.47Å; L153-V188 HydrophobicContact CD1-CG2 4.27Å; L153-L191 HydrophobicContact CD1-CB 3.86Å; L153-L191 HydrophobicContact CD1-CD2 3.63Å; L153-L191 HydrophobicContact CD1-CG 4.28Å; L153-L191 HydrophobicContact CG-CD2 4.41Å |
| 154 | E | 94.7 | Very high | 94.3 | Very high | 93 Ų | 93 | 35 Ų | 35 | 44% | 0.435 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.6 | -31.4 | -178.2 | -64.9 | -49.2 | 128.9 | 0 | 0 | 112.5 | V120 H152 R157 L158 | V120-E154 HydrophobicContact CG2-CB 4.19Å; H152-E154 PolarHBondContact O-N 3.22Å; E154-R157 PolarHBondContact O-N 3.49Å; E154-R157 IonicContact OE1-NE 2.74Å; E154-R157 IonicContact OE1-NH2 3.12Å; E154-R157 IonicContact OE2-NE 2.67Å; E154-R157 PolarHBondContact OE2-NE 2.99Å; E154-L158 WeakPolarHBondContact O-CB 3.49Å; E154-L158 PolarHBondContact O-N 3.36Å |
| 155 | M | 94.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.5 | -42.4 | 173 | -179 | 62.9 | 70.6 | 0 | 0 | 111.4 | A114 A115 A119 V120 A123 A147 H152 L153 R157 L158 L159 | A114-M155 HydrophobicContact CB-CE 4.37Å; A114-M155 WeakPolarHBondContact O-CE 3.34Å; A115-M155 HydrophobicContact CB-CG 4.27Å; A119-M155 VanDerWaalsContact C-CE 3.45Å; A119-M155 WeakPolarHBondContact O-CE 3.43Å; V120-M155 HydrophobicContact CB-CE 4.35Å; V120-M155 HydrophobicContact CG2-CB 4.25Å; V120-M155 HydrophobicContact CG2-CE 4.04Å; A123-M155 HydrophobicContact CB-CE 3.73Å; A123-M155 HydrophobicContact CB-SD 3.81Å; A147-M155 HydrophobicContact CB-CB 4.25Å; A147-M155 HydrophobicContact CB-CG 3.74Å; H152-M155 HydrophobicContact CB-CB 3.84Å; H152-M155 WeakPolarHBondContact O-CB 3.41Å; H152-M155 PolarHBondContact O-N 3.44Å; H152-M155 VanDerWaalsContact O-N 3.11Å; L153-M155 VanDerWaalsContact C-N 3.26Å; L153-M155 PolarHBondContact O-N 3.32Å; M155-R157 VanDerWaalsContact C-N 3.32Å; M155-R157 PolarHBondContact O-N 2.8Å; M155-L158 PolarHBondContact O-N 2.98Å; M155-L158 HydrophobicContact SD-CD2 4.37Å; M155-L159 HydrophobicContact CG-CD1 4Å; M155-L159 HydrophobicContact CG-CG 4.4Å; M155-L159 WeakPolarHBondContact O-CB 3.39Å; M155-L159 VanDerWaalsContact O-CG 3.27Å; M155-L159 WeakPolarHBondContact O-CG 3.47Å; M155-L159 PolarHBondContact O-N 3.49Å; M155-L159 HydrophobicContact SD-CD1 4.29Å; M155-L159 HydrophobicContact SD-CG 4.2Å |
| 156 | V | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 174.9 | 174 | 0 | 0 | 0 | 0 | 110.2 | L144 A147 H152 L153 L159 L160 V188 L191 L192 | L144-V156 HydrophobicContact CD1-CB 4.44Å; L144-V156 HydrophobicContact CD1-CG1 3.89Å; L144-V156 HydrophobicContact CD1-CG2 4.43Å; A147-V156 HydrophobicContact CB-CG2 3.71Å; H152-V156 WeakPolarHBondContact O-CG2 3.43Å; H152-V156 PolarHBondContact O-N 2.96Å; L153-V156 WeakPolarHBondContact O-CB 3.41Å; L153-V156 PolarHBondContact O-N 3.2Å; L153-V156 VanDerWaalsContact O-N 3.14Å; V156-L159 PolarHBondContact O-N 3.16Å; V156-L160 HydrophobicContact CG1-CD1 3.89Å; V156-L160 HydrophobicContact CG1-CG 4.38Å; V156-L160 WeakPolarHBondContact O-CB 3.33Å; V156-L160 VanDerWaalsContact O-CG 3.28Å; V156-L160 WeakPolarHBondContact O-CG 3.21Å; V156-L160 PolarHBondContact O-N 2.99Å; V156-V188 HydrophobicContact CG1-CG1 4.47Å; V156-V188 HydrophobicContact CG2-CG1 4.02Å; V156-L191 HydrophobicContact CB-CD2 4.09Å; V156-L191 HydrophobicContact CG1-CD2 3.73Å; V156-L192 HydrophobicContact CG1-CD2 3.96Å; V156-L192 HydrophobicContact CG1-CG 4.37Å |
| 157 | R | 95.3 | Very high | 93.9 | Very high | 105 Ų | 105 | 40.9 Ų | 40.9 | 40% | 0.396 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.9 | -48.3 | 176 | -172.2 | -170.3 | -54.4 | -72.4 | -1.7 | 111.9 | L153 E154 M155 L160 S161 L191 | L153-R157 PolarHBondContact O-N 3.22Å; E154-R157 PolarHBondContact O-N 3.49Å; E154-R157 IonicContact OE1-NE 2.74Å; E154-R157 IonicContact OE1-NH2 3.12Å; E154-R157 IonicContact OE2-NE 2.67Å; E154-R157 PolarHBondContact OE2-NE 2.99Å; M155-R157 VanDerWaalsContact C-N 3.32Å; M155-R157 PolarHBondContact O-N 2.8Å; R157-L160 PolarHBondContact O-N 3.07Å; R157-S161 WeakPolarHBondContact O-CB 3.22Å; R157-S161 PolarHBondContact O-N 3.46Å; R157-S161 PolarHBondContact O-OG 3.05Å; R157-L191 HydrophobicContact CB-CD2 4.11Å |
| 158 | L | 93.5 | Very high | 93.8 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.1 | -51.8 | 177.3 | 176.7 | 66.1 | 0 | 0 | 0 | 110.9 | V120 A123 E124 E154 M155 L160 S161 R162 | V120-L158 HydrophobicContact CG1-CD2 3.94Å; A123-L158 HydrophobicContact CB-CD2 3.79Å; E124-L158 HydrophobicContact CG-CD1 3.75Å; E124-L158 HydrophobicContact CG-CD2 3.66Å; E124-L158 HydrophobicContact CG-CG 4.37Å; E154-L158 WeakPolarHBondContact O-CB 3.49Å; E154-L158 PolarHBondContact O-N 3.36Å; M155-L158 PolarHBondContact O-N 2.98Å; M155-L158 HydrophobicContact SD-CD2 4.37Å; L158-L160 PolarHBondContact O-N 3.01Å; L158-S161 PolarHBondContact O-N 3.04Å; L158-S161 PolarHBondContact O-OG 3.42Å; L158-R162 HydrophobicContact CD1-CG 4.22Å; L158-R162 VanDerWaalsContact O-CG 3.29Å; L158-R162 WeakPolarHBondContact O-CG 3.49Å; L158-R162 PolarHBondContact O-N 3.14Å |
| 159 | L | 93.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -44.6 | -178.4 | -70.7 | 172.2 | 0 | 0 | 0 | 112 | L111 A115 V133 A143 L144 A147 M155 V156 R162 G163 A164 | L111-L159 HydrophobicContact CD1-CD2 4.17Å; L111-L159 HydrophobicContact CD2-CD2 4.09Å; L111-L159 HydrophobicContact CG-CD2 4.41Å; A115-L159 HydrophobicContact CB-CD1 4.4Å; V133-L159 HydrophobicContact CG1-CD2 4.04Å; A143-L159 HydrophobicContact CB-CD1 4.12Å; A143-L159 HydrophobicContact CB-CD2 4.25Å; L144-L159 HydrophobicContact CD1-CB 4.31Å; L144-L159 HydrophobicContact CD1-CD1 4.47Å; A147-L159 HydrophobicContact CB-CD1 4.03Å; M155-L159 HydrophobicContact CG-CD1 4Å; M155-L159 HydrophobicContact CG-CG 4.4Å; M155-L159 WeakPolarHBondContact O-CB 3.39Å; M155-L159 VanDerWaalsContact O-CG 3.27Å; M155-L159 WeakPolarHBondContact O-CG 3.47Å; M155-L159 PolarHBondContact O-N 3.49Å; M155-L159 HydrophobicContact SD-CD1 4.29Å; M155-L159 HydrophobicContact SD-CG 4.2Å; V156-L159 PolarHBondContact O-N 3.16Å; L159-R162 CarbonylContact O-C 3.5Å; L159-R162 PolarHBondContact O-N 3.4Å; L159-G163 PolarHBondContact O-N 3.31Å; L159-A164 VanDerWaalsContact C-CB 3.5Å; L159-A164 HydrophobicContact CB-CB 3.93Å; L159-A164 WeakPolarHBondContact O-CB 3.49Å; L159-A164 PolarHBondContact O-N 3.09Å |
| 160 | L | 93.6 | Very high | 93.6 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 13% | 0.131 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 177.2 | -68.3 | 173.5 | 0 | 0 | 0 | 112 | L144 V156 R157 L158 R162 G163 I166 L192 H195 | L144-L160 HydrophobicContact CD1-CD2 4.28Å; L144-L160 HydrophobicContact CD1-CG 4.32Å; L144-L160 HydrophobicContact CD2-CD2 4.08Å; V156-L160 HydrophobicContact CG1-CD1 3.89Å; V156-L160 HydrophobicContact CG1-CG 4.38Å; V156-L160 WeakPolarHBondContact O-CB 3.33Å; V156-L160 VanDerWaalsContact O-CG 3.28Å; V156-L160 WeakPolarHBondContact O-CG 3.21Å; V156-L160 PolarHBondContact O-N 2.99Å; R157-L160 PolarHBondContact O-N 3.07Å; L158-L160 PolarHBondContact O-N 3.01Å; L160-R162 PolarHBondContact O-N 3.34Å; L160-R162 VanDerWaalsContact O-N 3.13Å; L160-G163 PolarHBondContact O-N 3.34Å; L160-I166 HydrophobicContact CD1-CD1 4.43Å; L160-I166 HydrophobicContact CD2-CB 3.93Å; L160-I166 HydrophobicContact CD2-CD1 3.98Å; L160-I166 HydrophobicContact CD2-CG1 3.94Å; L160-L192 HydrophobicContact CD1-CD2 4.26Å; L160-H195 HydrophobicContact CD1-CB 4.11Å |
| 161 | S | 92.4 | Very high | 93.6 | Very high | 86 Ų | 86 | 49.2 Ų | 49.2 | 60% | 0.601 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.6 | -20.1 | 177.2 | 76.7 | 0 | 0 | 0 | 0 | 113.8 | R157 L158 | R157-S161 WeakPolarHBondContact O-CB 3.22Å; R157-S161 PolarHBondContact O-N 3.46Å; R157-S161 PolarHBondContact O-OG 3.05Å; L158-S161 PolarHBondContact O-N 3.04Å; L158-S161 PolarHBondContact O-OG 3.42Å |
| 162 | R | 90.6 | Very high | 93.6 | Very high | 106 Ų | 106 | 54 Ų | 54 | 40% | 0.4 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 21.5 | -178.2 | -57.3 | -65.6 | 177.4 | 79.5 | 4.1 | 112.7 | V127 L158 L159 L160 | V127-R162 HydrophobicContact CG1-CB 3.71Å; V127-R162 HydrophobicContact CG1-CG 3.83Å; L158-R162 HydrophobicContact CD1-CG 4.22Å; L158-R162 VanDerWaalsContact O-CG 3.29Å; L158-R162 WeakPolarHBondContact O-CG 3.49Å; L158-R162 PolarHBondContact O-N 3.14Å; L159-R162 CarbonylContact O-C 3.5Å; L159-R162 PolarHBondContact O-N 3.4Å; L160-R162 PolarHBondContact O-N 3.34Å; L160-R162 VanDerWaalsContact O-N 3.13Å |
| 163 | G | 88.2 | Confident | 93.6 | Very high | 53 Ų | 53 | 55.3 Ų | 55.3 | 55% | 0.546 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 23.5 | 172 | 0 | 0 | 0 | 0 | 0 | 115.2 | N134 L159 L160 N165 | N134-G163 PolarHBondContact ND2-O 2.67Å; N134-G163 VanDerWaalsContact ND2-O 3.16Å; L159-G163 PolarHBondContact O-N 3.31Å; L160-G163 PolarHBondContact O-N 3.34Å; G163-N165 PolarHBondContact O-N 2.79Å |
| 164 | A | 92.9 | Very high | 93.6 | Very high | 11 Ų | 11 | 55.4 Ų | 55.4 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | trans | -63.5 | 131.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V133 N134 L159 I166 | V133-A164 HydrophobicContact CG1-CB 4.25Å; N134-A164 WeakPolarHBondContact OD1-CA 3.4Å; L159-A164 VanDerWaalsContact C-CB 3.5Å; L159-A164 HydrophobicContact CB-CB 3.93Å; L159-A164 WeakPolarHBondContact O-CB 3.49Å; L159-A164 PolarHBondContact O-N 3.09Å; A164-I166 PolarHBondContact O-N 3.47Å; A164-I166 VanDerWaalsContact O-N 3.13Å | ||
| 165 | N | 93.6 | Very high | 93.6 | Very high | 81 Ų | 81 | 52.9 Ų | 52.9 | 43% | 0.433 | 26% | 0.263 | S | S | . | . | trans | -70.3 | 109.9 | 176.9 | 179.4 | 2.3 | 0 | 0 | 0 | 109.6 | N134 G163 N167 A168 | N134-N165 PolarHBondContact OD1-N 3.43Å; G163-N165 PolarHBondContact O-N 2.79Å; N165-N167 PolarHBondContact O-N 3.21Å; N165-N167 PolarHBondContact OD1-N 2.98Å; N165-A168 HydrophobicContact CB-CB 4.2Å; N165-A168 WeakPolarHBondContact O-CB 3.44Å; N165-A168 PolarHBondContact O-N 3.42Å; N165-A168 PolarHBondContact OD1-N 2.98Å | ||
| 166 | I | 94.1 | Very high | 93.7 | Very high | 24 Ų | 24 | 52.8 Ų | 52.8 | 12% | 0.123 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -31.3 | -178.1 | -162.9 | 163.4 | 0 | 0 | 0 | 113.2 | L160 A164 L192 H195 A197 | L160-I166 HydrophobicContact CD1-CD1 4.43Å; L160-I166 HydrophobicContact CD2-CB 3.93Å; L160-I166 HydrophobicContact CD2-CD1 3.98Å; L160-I166 HydrophobicContact CD2-CG1 3.94Å; A164-I166 PolarHBondContact O-N 3.47Å; A164-I166 VanDerWaalsContact O-N 3.13Å; I166-L192 HydrophobicContact CD1-CD2 4.14Å; I166-L192 VanDerWaalsContact CD1-O 3.3Å; I166-L192 WeakPolarHBondContact CD1-O 3.23Å; I166-L192 HydrophobicContact CG1-CD2 3.94Å; I166-H195 HydrophobicContact CD1-CB 3.66Å; I166-H195 WeakPolarHBondContact CD1-O 3.37Å; I166-A197 HydrophobicContact CD1-CB 3.82Å; I166-A197 HydrophobicContact CG1-CB 3.88Å |
| 167 | N | 93.4 | Very high | 93.7 | Very high | 37 Ų | 37 | 53 Ų | 53 | 20% | 0.198 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 20 | -177.8 | -71 | -43 | 0 | 0 | 0 | 112.6 | N165 R175 E198 | N165-N167 PolarHBondContact O-N 3.21Å; N165-N167 PolarHBondContact OD1-N 2.98Å; N167-R175 PolarHBondContact OD1-NH1 3.33Å; N167-E198 PolarHBondContact OD1-N 3.06Å |
| 168 | A | 92.9 | Very high | 93.8 | Very high | 11 Ų | 11 | 48 Ų | 48 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | trans | -58.3 | 144.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | T142 H145 N165 R175 | T142-A168 HydrophobicContact CG2-CB 3.95Å; H145-A168 PolarHBondContact CE1-O 2.67Å; H145-A168 VanDerWaalsContact CE1-O 3.22Å; H145-A168 PolarHBondContact NE2-O 3.06Å; N165-A168 HydrophobicContact CB-CB 4.2Å; N165-A168 WeakPolarHBondContact O-CB 3.44Å; N165-A168 PolarHBondContact O-N 3.42Å; N165-A168 PolarHBondContact OD1-N 2.98Å; A168-R175 WeakPolarHBondContact O-CA 3.45Å | ||
| 169 | F | 93.4 | Very high | 93.9 | Very high | 137 Ų | 137 | 49 Ų | 49 | 60% | 0.601 | 25% | 0.248 | S | C | * | . | B | Isolated β-bridge | trans | -121.6 | 143.6 | -177.4 | 59.2 | -97.2 | 0 | 0 | 0 | 111.5 | ||
| 170 | D | 94.3 | Very high | 94 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | trans | -81.7 | -178 | 173 | 80.7 | -1.6 | 0 | 0 | 0 | 112.2 | R141 K172 D173 R174 | R141-D170 HydrophobicContact CG-CB 3.89Å; D170-K172 PolarHBondContact O-N 3.39Å; D170-K172 VanDerWaalsContact OD1-CA 3.32Å; D170-K172 WeakPolarHBondContact OD1-CA 3.25Å; D170-K172 WeakPolarHBondContact OD1-CB 3.4Å; D170-K172 PolarHBondContact OD1-N 3.16Å; D170-D173 WeakPolarHBondContact O-CA 3.45Å; D170-D173 PolarHBondContact O-N 2.78Å; D170-D173 PolarHBondContact OD1-N 3.21Å; D170-R174 PolarHBondContact N-O 2.93Å; D170-R174 WeakPolarHBondContact OD1-CB 3.38Å; D170-R174 PolarHBondContact OD1-N 2.9Å; D170-R174 IonicContact OD1-NE 3.73Å; D170-R174 IonicContact OD2-CZ 2.73Å; D170-R174 IonicContact OD2-NE 2.93Å; D170-R174 PolarHBondContact OD2-NE 2.9Å; D170-R174 IonicContact OD2-NH2 3.25Å; D170-R174 PolarHBondContact OD2-NH2 3.02Å | ||
| 171 | K | 94.6 | Very high | 94.1 | Very high | 143 Ų | 143 | 47.7 Ų | 47.7 | 62% | 0.622 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -10.7 | 178.4 | -77.1 | -177.9 | 173.4 | 176.9 | 0 | 115.3 | R138 A139 | R138-K171 VanDerWaalsContact O-CE 3.22Å; R138-K171 WeakPolarHBondContact O-CE 3.41Å; R138-K171 PolarHBondContact O-NZ 3.19Å; A139-K171 WeakPolarHBondContact O-CB 3.18Å; A139-K171 WeakPolarHBondContact O-CG 3.24Å; A139-K171 PolarHBondContact O-N 3.06Å |
| 172 | K | 94 | Very high | 94.3 | Very high | 122 Ų | 122 | 48.6 Ų | 48.6 | 53% | 0.53 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 16.9 | 174.9 | -58.7 | -172.4 | -175.8 | 177.5 | 0 | 111.4 | D170 R174 K204 | D170-K172 PolarHBondContact O-N 3.39Å; D170-K172 VanDerWaalsContact OD1-CA 3.32Å; D170-K172 WeakPolarHBondContact OD1-CA 3.25Å; D170-K172 WeakPolarHBondContact OD1-CB 3.4Å; D170-K172 PolarHBondContact OD1-N 3.16Å; K172-R174 HydrophobicContact CB-CG 4.2Å; K172-R174 PolarHBondContact O-N 3.49Å; K172-K204 VanDerWaalsContact O-CB 3.27Å; K172-K204 WeakPolarHBondContact O-CB 3.44Å; K172-K204 PolarHBondContact O-N 3.34Å |
| 173 | D | 95 | Very high | 94.6 | Very high | 63 Ų | 63 | 46.6 Ų | 46.6 | 34% | 0.337 | 23% | 0.228 | S | C | . | . | trans | 58.4 | 21.3 | -175.4 | -50.3 | -35.4 | 0 | 0 | 0 | 114 | D170 K204 | D170-D173 WeakPolarHBondContact O-CA 3.45Å; D170-D173 PolarHBondContact O-N 2.78Å; D170-D173 PolarHBondContact OD1-N 3.21Å; D173-K204 HydrophobicContact CB-CB 4.31Å; D173-K204 WeakPolarHBondContact OD2-CB 3.31Å | ||
| 174 | R | 95.4 | Very high | 94.9 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 19% | 0.185 | 21% | 0.213 | C | C | . | . | trans | -83.6 | 132.6 | 177.6 | -62.9 | 174.4 | -63.9 | 173.9 | 1.4 | 109.6 | H145 D170 K172 H178 D203 | H145-R174 PolarHBondContact NE2-O 3.49Å; H145-R174 VanDerWaalsContact NE2-O 3.09Å; D170-R174 PolarHBondContact N-O 2.93Å; D170-R174 WeakPolarHBondContact OD1-CB 3.38Å; D170-R174 PolarHBondContact OD1-N 2.9Å; D170-R174 IonicContact OD1-NE 3.73Å; D170-R174 IonicContact OD2-CZ 2.73Å; D170-R174 IonicContact OD2-NE 2.93Å; D170-R174 PolarHBondContact OD2-NE 2.9Å; D170-R174 IonicContact OD2-NH2 3.25Å; D170-R174 PolarHBondContact OD2-NH2 3.02Å; K172-R174 HydrophobicContact CB-CG 4.2Å; K172-R174 PolarHBondContact O-N 3.49Å; R174-H178 HydrophobicContact CB-CB 4.29Å; R174-D203 HydrophobicContact CG-CB 3.68Å | ||
| 175 | R | 95.8 | Very high | 95.1 | Very high | 39 Ų | 39 | 47.6 Ų | 47.6 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -92.5 | 166.9 | 175.4 | -51.5 | -172.6 | -167.9 | -171 | 7.7 | 112 | N167 A168 I177 H178 E198 C201 | N167-R175 PolarHBondContact OD1-NH1 3.33Å; A168-R175 WeakPolarHBondContact O-CA 3.45Å; R175-I177 HydrophobicContact CB-CG2 4.28Å; R175-I177 PolarHBondContact O-N 3.25Å; R175-H178 PolarHBondContact N-ND1 2.9Å; R175-H178 VanDerWaalsContact N-ND1 3.14Å; R175-H178 WeakPolarHBondContact O-CB 3.49Å; R175-H178 PolarHBondContact O-N 3.04Å; R175-E198 IonicContact CZ-OE1 2.76Å; R175-E198 IonicContact CZ-OE2 2.67Å; R175-E198 IonicContact NH1-OE1 2.9Å; R175-E198 PolarHBondContact NH1-OE1 2.96Å; R175-E198 IonicContact NH1-OE2 2.67Å; R175-E198 PolarHBondContact NH1-OE2 3.24Å; R175-E198 IonicContact NH2-OE1 3.47Å; R175-E198 IonicContact NH2-OE2 3.12Å; R175-E198 PolarHBondContact NH2-OE2 2.93Å; R175-C201 VanDerWaalsContact CZ-CB 3.43Å |
| 176 | A | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.3 | -39 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L144 H145 A148 H178 W179 A180 L192 | L144-A176 HydrophobicContact CD2-CB 4.15Å; L144-A176 HydrophobicContact CG-CB 3.96Å; H145-A176 PolarHBondContact NE2-N 3.43Å; A148-A176 HydrophobicContact CB-CB 3.89Å; A148-A176 WeakPolarHBondContact CB-O 3.31Å; A176-H178 VanDerWaalsContact C-N 3.31Å; A176-H178 PolarHBondContact O-N 3.29Å; A176-W179 PolarHBondContact O-N 3.09Å; A176-A180 PolarHBondContact O-N 3.18Å; A176-A180 VanDerWaalsContact O-N 3.08Å; A176-L192 HydrophobicContact CB-CD1 4.21Å |
| 177 | I | 96 | Very high | 95.3 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -32.8 | 178.1 | -167.2 | 168.1 | 0 | 0 | 0 | 113.1 | R175 W179 A180 A181 V189 L192 A197 V199 P209 | R175-I177 HydrophobicContact CB-CG2 4.28Å; R175-I177 PolarHBondContact O-N 3.25Å; I177-W179 VanDerWaalsContact C-N 3.31Å; I177-W179 PolarHBondContact O-N 3.32Å; I177-A180 PolarHBondContact O-N 3.02Å; I177-A181 WeakPolarHBondContact O-CB 3.47Å; I177-A181 PolarHBondContact O-N 3.47Å; I177-V189 HydrophobicContact CD1-CG1 4.23Å; I177-V189 HydrophobicContact CG1-CG1 4.25Å; I177-L192 HydrophobicContact CB-CD1 4.19Å; I177-A197 HydrophobicContact CD1-CB 4.41Å; I177-V199 HydrophobicContact CD1-CG1 3.91Å; I177-P209 HydrophobicContact CG1-CB 4.38Å; I177-P209 HydrophobicContact CG1-CG 4.37Å; I177-P209 HydrophobicContact CG2-CG 3.81Å |
| 178 | H | 96.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -39.9 | 176.4 | -71.4 | 93.4 | 0 | 0 | 0 | 111.8 | R174 R175 A176 Y182 C201 Y207 T212 | R174-H178 HydrophobicContact CB-CB 4.29Å; R175-H178 PolarHBondContact N-ND1 2.9Å; R175-H178 VanDerWaalsContact N-ND1 3.14Å; R175-H178 WeakPolarHBondContact O-CB 3.49Å; R175-H178 PolarHBondContact O-N 3.04Å; A176-H178 VanDerWaalsContact C-N 3.31Å; A176-H178 PolarHBondContact O-N 3.29Å; H178-Y182 VanDerWaalsContact O-CB 3.31Å; H178-Y182 WeakPolarHBondContact O-CB 3.24Å; H178-Y182 PolarHBondContact O-N 3Å; H178-C201 PolarHBondContact CE1-SG 3.09Å; H178-C201 PolarHBondContact NE2-O 3.23Å; H178-Y207 PolarHBondContact NE2-O 2.9Å; H178-Y207 VanDerWaalsContact NE2-O 3.08Å; H178-T212 PolarHBondContact O-OG1 2.91Å |
| 179 | W | 95.5 | Very high | 95.6 | Very high | 32 Ų | 32 | 46.6 Ų | 46.6 | 12% | 0.121 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.6 | -43.1 | 179.5 | -67.4 | 101.1 | 0 | 0 | 0 | 112 | H145 F149 A176 I177 A181 Y182 M183 | H145-W179 AromaticContact CD2-CD1 3.71Å; H145-W179 AromaticContact CD2-NE1 3.78Å; F149-W179 HydrophobicContact CB-CB 4.28Å; F149-W179 HydrophobicContact CD2-CB 4.41Å; F149-W179 HydrophobicContact CD2-CD2 4.1Å; F149-W179 AromaticContact CD2-CE3 3.37Å; F149-W179 HydrophobicContact CD2-CE3 3.37Å; F149-W179 AromaticContact CD2-CZ3 3.81Å; F149-W179 HydrophobicContact CD2-CZ3 3.81Å; F149-W179 AromaticContact CE2-CE3 3.72Å; F149-W179 HydrophobicContact CE2-CE3 3.72Å; F149-W179 AromaticContact CE2-CZ3 3.72Å; F149-W179 HydrophobicContact CE2-CZ3 3.72Å; A176-W179 PolarHBondContact O-N 3.09Å; I177-W179 VanDerWaalsContact C-N 3.31Å; I177-W179 PolarHBondContact O-N 3.32Å; W179-A181 VanDerWaalsContact C-N 3.3Å; W179-A181 PolarHBondContact O-N 3.12Å; W179-Y182 PolarHBondContact O-N 3.43Å; W179-M183 PolarHBondContact O-N 3.22Å |
| 180 | A | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A148 A176 I177 M183 G184 H185 V188 V189 L192 | A148-A180 HydrophobicContact CB-CB 4.27Å; A176-A180 PolarHBondContact O-N 3.18Å; A176-A180 VanDerWaalsContact O-N 3.08Å; I177-A180 PolarHBondContact O-N 3.02Å; A180-M183 PolarHBondContact O-N 3.35Å; A180-G184 PolarHBondContact O-N 3.26Å; A180-H185 PolarHBondContact O-N 2.98Å; A180-V188 HydrophobicContact CB-CB 4.28Å; A180-V188 HydrophobicContact CB-CG1 3.84Å; A180-V189 HydrophobicContact CB-CG2 3.71Å; A180-L192 HydrophobicContact CB-CD1 4.43Å |
| 181 | A | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.1 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I177 W179 M183 G184 V189 P209 A213 V221 | I177-A181 WeakPolarHBondContact O-CB 3.47Å; I177-A181 PolarHBondContact O-N 3.47Å; W179-A181 VanDerWaalsContact C-N 3.3Å; W179-A181 PolarHBondContact O-N 3.12Å; A181-M183 VanDerWaalsContact C-N 3.33Å; A181-M183 PolarHBondContact O-N 2.78Å; A181-G184 PolarHBondContact O-N 2.95Å; A181-V189 HydrophobicContact CB-CG2 4.44Å; A181-P209 HydrophobicContact CB-CB 4.05Å; A181-A213 HydrophobicContact CB-CB 4.3Å; A181-V221 HydrophobicContact CB-CG1 3.9Å |
| 182 | Y | 96.1 | Very high | 95.9 | Very high | 104 Ų | 104 | 37.3 Ų | 37.3 | 41% | 0.408 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61 | -40.4 | 175.9 | -176.7 | -94.6 | 0 | 0 | 0 | 112.3 | H178 W179 S216 | H178-Y182 VanDerWaalsContact O-CB 3.31Å; H178-Y182 WeakPolarHBondContact O-CB 3.24Å; H178-Y182 PolarHBondContact O-N 3Å; W179-Y182 PolarHBondContact O-N 3.43Å; Y182-S216 WeakPolarHBondContact O-CB 3.36Å; Y182-S216 PolarHBondContact O-OG 2.76Å |
| 183 | M | 96.1 | Very high | 95.9 | Very high | 65 Ų | 65 | 32.4 Ų | 32.4 | 32% | 0.32 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -85.4 | -6.6 | 178.7 | -68.3 | -56 | 173.1 | 0 | 0 | 114.4 | F149 W179 A180 A181 | F149-M183 HydrophobicContact CD2-CE 4.01Å; F149-M183 HydrophobicContact CD2-CG 4.16Å; F149-M183 HydrophobicContact CE1-CE 4.37Å; F149-M183 HydrophobicContact CE2-CE 3.17Å; F149-M183 HydrophobicContact CE2-CG 4.26Å; F149-M183 HydrophobicContact CZ-CE 3.4Å; W179-M183 PolarHBondContact O-N 3.22Å; A180-M183 PolarHBondContact O-N 3.35Å; A181-M183 VanDerWaalsContact C-N 3.33Å; A181-M183 PolarHBondContact O-N 2.78Å |
| 184 | G | 95.1 | Very high | 95.8 | Very high | 22 Ų | 22 | 34.3 Ų | 34.3 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 18.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A180 A181 I186 M218 | A180-G184 PolarHBondContact O-N 3.26Å; A181-G184 PolarHBondContact O-N 2.95Å; G184-I186 VanDerWaalsContact C-N 3.3Å; G184-I186 PolarHBondContact O-N 3.48Å; G184-M218 VanDerWaalsContact CA-CG 3.48Å; G184-M218 VanDerWaalsContact CA-SD 3.55Å |
| 185 | H | 96.4 | Very high | 95.6 | Very high | 62 Ų | 62 | 36.6 Ų | 36.6 | 29% | 0.287 | 19% | 0.185 | S | C | . | . | trans | -79.4 | 76.3 | -178.7 | -62.7 | -45.2 | 0 | 0 | 0 | 111.8 | A148 F149 G151 A180 E187 V188 V189 | A148-H185 PolarHBondContact O-CD2 2.78Å; F149-H185 PolarHBondContact O-NE2 3.25Å; G151-H185 WeakPolarHBondContact CA-CD2 3.45Å; G151-H185 VanDerWaalsContact CA-CG 3.4Å; G151-H185 PolarHBondContact N-CD2 3.17Å; G151-H185 VanDerWaalsContact N-CD2 3.29Å; G151-H185 PolarHBondContact N-NE2 3.39Å; A180-H185 PolarHBondContact O-N 2.98Å; H185-E187 VanDerWaalsContact C-N 3.35Å; H185-E187 PolarHBondContact O-N 3.12Å; H185-V188 HydrophobicContact CB-CB 4.1Å; H185-V188 HydrophobicContact CB-CG2 4.2Å; H185-V188 WeakPolarHBondContact O-CB 3.38Å; H185-V188 PolarHBondContact O-N 3.49Å; H185-V189 WeakPolarHBondContact O-CG2 3.44Å; H185-V189 PolarHBondContact O-N 3.41Å | ||
| 186 | I | 96.2 | Very high | 95.4 | Very high | 33 Ų | 33 | 37.2 Ų | 37.2 | 17% | 0.169 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.2 | -44.3 | -174.6 | -179.1 | 57.8 | 0 | 0 | 0 | 113.8 | G184 V188 V189 K190 V221 Y224 | G184-I186 VanDerWaalsContact C-N 3.3Å; G184-I186 PolarHBondContact O-N 3.48Å; I186-V188 VanDerWaalsContact C-N 3.27Å; I186-V188 PolarHBondContact O-N 2.91Å; I186-V189 PolarHBondContact O-N 3.49Å; I186-V189 VanDerWaalsContact O-N 3.13Å; I186-K190 HydrophobicContact CD1-CD 4.44Å; I186-K190 HydrophobicContact CD1-CG 4.16Å; I186-K190 HydrophobicContact CG1-CD 4.19Å; I186-K190 HydrophobicContact CG1-CG 4.39Å; I186-K190 WeakPolarHBondContact O-CG 3.18Å; I186-K190 PolarHBondContact O-N 3.37Å; I186-V221 HydrophobicContact CB-CG2 4.19Å; I186-V221 HydrophobicContact CD1-CG2 4.35Å; I186-Y224 VanDerWaalsContact CD1-CB 3.49Å; I186-Y224 HydrophobicContact CD1-CD1 3.78Å; I186-Y224 HydrophobicContact CD1-CG 3.69Å |
| 187 | E | 96.9 | Very high | 95.2 | Very high | 97 Ų | 97 | 37.7 Ų | 37.7 | 45% | 0.453 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66 | -32.1 | -179 | -61.6 | -51.7 | 126.9 | 0 | 0 | 112.1 | L153 H185 K190 L191 | L153-E187 HydrophobicContact CD1-CB 4.21Å; L153-E187 WeakPolarHBondContact CD1-O 3.33Å; L153-E187 HydrophobicContact CD2-CB 4.33Å; H185-E187 VanDerWaalsContact C-N 3.35Å; H185-E187 PolarHBondContact O-N 3.12Å; E187-K190 IonicContact OE1-NZ 3.57Å; E187-K190 PolarHBondContact OE1-NZ 3.04Å; E187-K190 IonicContact OE2-NZ 3.61Å; E187-L191 WeakPolarHBondContact O-CB 3.3Å; E187-L191 PolarHBondContact O-N 2.97Å |
| 188 | V | 96.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.7 | -41.2 | 172.8 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | A148 L153 V156 A180 H185 I186 L191 L192 | A148-V188 HydrophobicContact CB-CG1 4.19Å; L153-V188 HydrophobicContact CB-CG2 4.47Å; L153-V188 HydrophobicContact CD1-CG2 4.27Å; V156-V188 HydrophobicContact CG1-CG1 4.47Å; V156-V188 HydrophobicContact CG2-CG1 4.02Å; A180-V188 HydrophobicContact CB-CB 4.28Å; A180-V188 HydrophobicContact CB-CG1 3.84Å; H185-V188 HydrophobicContact CB-CB 4.1Å; H185-V188 HydrophobicContact CB-CG2 4.2Å; H185-V188 WeakPolarHBondContact O-CB 3.38Å; H185-V188 PolarHBondContact O-N 3.49Å; I186-V188 VanDerWaalsContact C-N 3.27Å; I186-V188 PolarHBondContact O-N 2.91Å; V188-L191 PolarHBondContact O-N 3.44Å; V188-L192 HydrophobicContact CG1-CD1 3.79Å; V188-L192 HydrophobicContact CG1-CG 4.19Å; V188-L192 WeakPolarHBondContact O-CB 3.46Å; V188-L192 VanDerWaalsContact O-CG 3.25Å; V188-L192 WeakPolarHBondContact O-CG 3.32Å; V188-L192 PolarHBondContact O-N 2.94Å |
| 189 | V | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 175.8 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | I177 A180 A181 H185 I186 L192 A193 V221 Y224 L225 | I177-V189 HydrophobicContact CD1-CG1 4.23Å; I177-V189 HydrophobicContact CG1-CG1 4.25Å; A180-V189 HydrophobicContact CB-CG2 3.71Å; A181-V189 HydrophobicContact CB-CG2 4.44Å; H185-V189 WeakPolarHBondContact O-CG2 3.44Å; H185-V189 PolarHBondContact O-N 3.41Å; I186-V189 PolarHBondContact O-N 3.49Å; I186-V189 VanDerWaalsContact O-N 3.13Å; V189-L192 PolarHBondContact O-N 2.98Å; V189-A193 WeakPolarHBondContact O-CB 3.4Å; V189-A193 PolarHBondContact O-N 3.04Å; V189-V221 HydrophobicContact CG1-CG1 4.39Å; V189-V221 HydrophobicContact CG2-CG1 4.18Å; V189-V221 HydrophobicContact CG2-CG2 4.43Å; V189-Y224 HydrophobicContact CG1-CD1 3.99Å; V189-Y224 HydrophobicContact CG1-CE1 4.13Å; V189-L225 HydrophobicContact CG1-CD2 4.14Å |
| 190 | K | 96.3 | Very high | 94.8 | Very high | 71 Ų | 71 | 44.9 Ų | 44.9 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.3 | -49.3 | 173.6 | -73.4 | 171.7 | 178.6 | 169.4 | 0 | 111.6 | I186 E187 L192 A193 C194 Y224 | I186-K190 HydrophobicContact CD1-CD 4.44Å; I186-K190 HydrophobicContact CD1-CG 4.16Å; I186-K190 HydrophobicContact CG1-CD 4.19Å; I186-K190 HydrophobicContact CG1-CG 4.39Å; I186-K190 WeakPolarHBondContact O-CG 3.18Å; I186-K190 PolarHBondContact O-N 3.37Å; E187-K190 IonicContact OE1-NZ 3.57Å; E187-K190 PolarHBondContact OE1-NZ 3.04Å; E187-K190 IonicContact OE2-NZ 3.61Å; K190-L192 PolarHBondContact O-N 3.26Å; K190-A193 PolarHBondContact O-N 3.33Å; K190-C194 WeakPolarHBondContact O-CB 3.46Å; K190-C194 PolarHBondContact O-N 3.15Å; K190-C194 PolarHBondContact O-SG 2.97Å; K190-Y224 HydrophobicContact CB-CE1 4.2Å; K190-Y224 HydrophobicContact CG-CD1 4.04Å; K190-Y224 HydrophobicContact CG-CD2 4.16Å; K190-Y224 HydrophobicContact CG-CE1 3.6Å; K190-Y224 HydrophobicContact CG-CE2 3.76Å; K190-Y224 HydrophobicContact CG-CG 4.3Å; K190-Y224 VanDerWaalsContact CG-CZ 3.46Å |
| 191 | L | 95.9 | Very high | 94.6 | Very high | 17 Ų | 17 | 45.1 Ų | 45.1 | 9% | 0.089 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -46.2 | -180 | -174.3 | 71.7 | 0 | 0 | 0 | 111.5 | L153 V156 R157 E187 V188 C194 H195 | L153-L191 HydrophobicContact CD1-CB 3.86Å; L153-L191 HydrophobicContact CD1-CD2 3.63Å; L153-L191 HydrophobicContact CD1-CG 4.28Å; L153-L191 HydrophobicContact CG-CD2 4.41Å; V156-L191 HydrophobicContact CB-CD2 4.09Å; V156-L191 HydrophobicContact CG1-CD2 3.73Å; R157-L191 HydrophobicContact CB-CD2 4.11Å; E187-L191 WeakPolarHBondContact O-CB 3.3Å; E187-L191 PolarHBondContact O-N 2.97Å; V188-L191 PolarHBondContact O-N 3.44Å; L191-C194 PolarHBondContact O-N 3.39Å; L191-H195 VanDerWaalsContact CD1-CE1 3.41Å; L191-H195 WeakPolarHBondContact CD1-CE1 3.37Å; L191-H195 PolarHBondContact O-N 2.83Å; L191-H195 PolarHBondContact O-ND1 3.41Å |
| 192 | L | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 178.4 | -70.7 | 170.6 | 0 | 0 | 0 | 111.1 | L144 A148 V156 L160 I166 A176 I177 A180 V188 V189 K190 C194 H195 G196 A197 | L144-L192 HydrophobicContact CD1-CD2 4.47Å; A148-L192 HydrophobicContact CB-CD1 4.48Å; V156-L192 HydrophobicContact CG1-CD2 3.96Å; V156-L192 HydrophobicContact CG1-CG 4.37Å; L160-L192 HydrophobicContact CD1-CD2 4.26Å; I166-L192 HydrophobicContact CD1-CD2 4.14Å; I166-L192 VanDerWaalsContact CD1-O 3.3Å; I166-L192 WeakPolarHBondContact CD1-O 3.23Å; I166-L192 HydrophobicContact CG1-CD2 3.94Å; A176-L192 HydrophobicContact CB-CD1 4.21Å; I177-L192 HydrophobicContact CB-CD1 4.19Å; A180-L192 HydrophobicContact CB-CD1 4.43Å; V188-L192 HydrophobicContact CG1-CD1 3.79Å; V188-L192 HydrophobicContact CG1-CG 4.19Å; V188-L192 WeakPolarHBondContact O-CB 3.46Å; V188-L192 VanDerWaalsContact O-CG 3.25Å; V188-L192 WeakPolarHBondContact O-CG 3.32Å; V188-L192 PolarHBondContact O-N 2.94Å; V189-L192 PolarHBondContact O-N 2.98Å; K190-L192 PolarHBondContact O-N 3.26Å; L192-C194 PolarHBondContact O-N 3.41Å; L192-H195 PolarHBondContact O-N 3.17Å; L192-G196 PolarHBondContact O-N 3.46Å; L192-A197 VanDerWaalsContact C-CB 3.47Å; L192-A197 HydrophobicContact CB-CB 3.89Å; L192-A197 WeakPolarHBondContact O-CB 3.43Å; L192-A197 PolarHBondContact O-N 3.03Å |
| 193 | A | 94.3 | Very high | 94.5 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V189 K190 H195 G196 V199 Y224 L228 | V189-A193 WeakPolarHBondContact O-CB 3.4Å; V189-A193 PolarHBondContact O-N 3.04Å; K190-A193 PolarHBondContact O-N 3.33Å; A193-H195 PolarHBondContact O-N 3.25Å; A193-G196 PolarHBondContact O-N 3.41Å; A193-G196 VanDerWaalsContact O-N 3.07Å; A193-V199 HydrophobicContact CB-CG1 3.95Å; A193-Y224 HydrophobicContact CB-CE1 4.39Å; A193-L228 HydrophobicContact CB-CD1 4.02Å |
| 194 | C | 93.1 | Very high | 94.4 | Very high | 102 Ų | 102 | 49.6 Ų | 49.6 | 69% | 0.689 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.3 | -26.2 | 177.4 | -69.8 | 0 | 0 | 0 | 0 | 113.9 | K190 L191 L192 G196 | K190-C194 WeakPolarHBondContact O-CB 3.46Å; K190-C194 PolarHBondContact O-N 3.15Å; K190-C194 PolarHBondContact O-SG 2.97Å; L191-C194 PolarHBondContact O-N 3.39Å; L192-C194 PolarHBondContact O-N 3.41Å; C194-G196 VanDerWaalsContact C-N 3.33Å |
| 195 | H | 91.9 | Very high | 94.4 | Very high | 98 Ų | 98 | 53.7 Ų | 53.7 | 45% | 0.454 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 15 | 177.7 | -69.9 | 72.6 | 0 | 0 | 0 | 112.9 | L160 I166 L191 L192 A193 | L160-H195 HydrophobicContact CD1-CB 4.11Å; I166-H195 HydrophobicContact CD1-CB 3.66Å; I166-H195 WeakPolarHBondContact CD1-O 3.37Å; L191-H195 VanDerWaalsContact CD1-CE1 3.41Å; L191-H195 WeakPolarHBondContact CD1-CE1 3.37Å; L191-H195 PolarHBondContact O-N 2.83Å; L191-H195 PolarHBondContact O-ND1 3.41Å; L192-H195 PolarHBondContact O-N 3.17Å; A193-H195 PolarHBondContact O-N 3.25Å |
| 196 | G | 90.4 | Very high | 94.4 | Very high | 51 Ų | 51 | 52.6 Ų | 52.6 | 53% | 0.526 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 22.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | L192 A193 C194 | L192-G196 PolarHBondContact O-N 3.46Å; A193-G196 PolarHBondContact O-N 3.41Å; A193-G196 VanDerWaalsContact O-N 3.07Å; C194-G196 VanDerWaalsContact C-N 3.33Å |
| 197 | A | 92.4 | Very high | 94.4 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | trans | -65.7 | 134.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | I166 I177 L192 V199 | I166-A197 HydrophobicContact CD1-CB 3.82Å; I166-A197 HydrophobicContact CG1-CB 3.88Å; I177-A197 HydrophobicContact CD1-CB 4.41Å; L192-A197 VanDerWaalsContact C-CB 3.47Å; L192-A197 HydrophobicContact CB-CB 3.89Å; L192-A197 WeakPolarHBondContact O-CB 3.43Å; L192-A197 PolarHBondContact O-N 3.03Å; A197-V199 PolarHBondContact O-N 3.13Å; A197-V199 VanDerWaalsContact O-N 3.15Å | ||
| 198 | E | 92.3 | Very high | 94.4 | Very high | 96 Ų | 96 | 48.9 Ų | 48.9 | 45% | 0.449 | 27% | 0.268 | S | S | . | . | trans | -70.2 | 112.2 | 174.4 | -70.9 | 165.5 | -125.8 | 0 | 0 | 110.1 | N167 R175 C201 | N167-E198 PolarHBondContact OD1-N 3.06Å; R175-E198 IonicContact CZ-OE1 2.76Å; R175-E198 IonicContact CZ-OE2 2.67Å; R175-E198 IonicContact NH1-OE1 2.9Å; R175-E198 PolarHBondContact NH1-OE1 2.96Å; R175-E198 IonicContact NH1-OE2 2.67Å; R175-E198 PolarHBondContact NH1-OE2 3.24Å; R175-E198 IonicContact NH2-OE1 3.47Å; R175-E198 IonicContact NH2-OE2 3.12Å; R175-E198 PolarHBondContact NH2-OE2 2.93Å; E198-C201 HydrophobicContact CB-CB 4.01Å; E198-C201 WeakPolarHBondContact O-CB 3.46Å; E198-C201 PolarHBondContact O-SG 3.07Å | ||
| 199 | V | 92.9 | Very high | 94.4 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -23.8 | -177.5 | -64.4 | 0 | 0 | 0 | 0 | 113.7 | I177 A193 A197 P209 L225 L228 V230 | I177-V199 HydrophobicContact CD1-CG1 3.91Å; A193-V199 HydrophobicContact CB-CG1 3.95Å; A197-V199 PolarHBondContact O-N 3.13Å; A197-V199 VanDerWaalsContact O-N 3.15Å; V199-P209 WeakPolarHBondContact O-CD 3.45Å; V199-P209 WeakPolarHBondContact O-CG 3.25Å; V199-L225 HydrophobicContact CB-CD2 4.38Å; V199-L228 HydrophobicContact CG1-CD1 3.94Å; V199-V230 HydrophobicContact CB-CG2 4.12Å; V199-V230 HydrophobicContact CG2-CG2 3.82Å |
| 200 | A | 92.8 | Very high | 94.4 | Very high | 62 Ų | 62 | 48.8 Ų | 48.8 | 51% | 0.512 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 17.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 201 | C | 93.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | trans | -62.9 | 151.6 | 179.2 | 60.6 | 0 | 0 | 0 | 0 | 112 | R175 H178 E198 T208 P209 | R175-C201 VanDerWaalsContact CZ-CB 3.43Å; H178-C201 PolarHBondContact CE1-SG 3.09Å; H178-C201 PolarHBondContact NE2-O 3.23Å; E198-C201 HydrophobicContact CB-CB 4.01Å; E198-C201 WeakPolarHBondContact O-CB 3.46Å; E198-C201 PolarHBondContact O-SG 3.07Å; C201-T208 WeakPolarHBondContact O-CA 3.36Å; C201-P209 WeakPolarHBondContact O-CD 3.42Å | ||
| 202 | K | 95.1 | Very high | 94.4 | Very high | 92 Ų | 92 | 45.3 Ų | 45.3 | 40% | 0.4 | 25% | 0.253 | S | S | . | . | trans | -117.5 | 131.9 | -175.9 | -76.2 | -179.6 | -176.9 | -171 | 0 | 109.5 | Y207 T208 E234 | K202-Y207 WeakPolarHBondContact CA-O 3.35Å; K202-T208 HydrophobicContact CG-CG2 4.1Å; K202-E234 WeakPolarHBondContact CE-OE2 3.29Å; K202-E234 IonicContact NZ-OE2 3.37Å; K202-E234 PolarHBondContact NZ-OE2 3.44Å | ||
| 203 | D | 94.7 | Very high | 94.5 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | trans | -76 | -177.2 | 169.4 | 87.9 | -11.7 | 0 | 0 | 0 | 111.5 | R174 K205 S206 Y207 | R174-D203 HydrophobicContact CG-CB 3.68Å; D203-K205 PolarHBondContact O-N 3.05Å; D203-K205 VanDerWaalsContact OD1-C 3.3Å; D203-K205 WeakPolarHBondContact OD1-CA 3.36Å; D203-K205 PolarHBondContact OD1-N 2.88Å; D203-S206 WeakPolarHBondContact O-CA 3.39Å; D203-S206 PolarHBondContact O-N 3.41Å; D203-S206 PolarHBondContact OD1-N 2.88Å; D203-S206 VanDerWaalsContact OD1-N 3.1Å; D203-Y207 PolarHBondContact N-O 3.43Å; D203-Y207 WeakPolarHBondContact OD1-CB 3.33Å; D203-Y207 PolarHBondContact OD1-N 3.43Å | ||
| 204 | K | 95.1 | Very high | 94.6 | Very high | 150 Ų | 150 | 44.4 Ų | 44.4 | 65% | 0.652 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.3 | -178.2 | -174.4 | 168.8 | -175.6 | 169.9 | 0 | 113.9 | K172 D173 | K172-K204 VanDerWaalsContact O-CB 3.27Å; K172-K204 WeakPolarHBondContact O-CB 3.44Å; K172-K204 PolarHBondContact O-N 3.34Å; D173-K204 HydrophobicContact CB-CB 4.31Å; D173-K204 WeakPolarHBondContact OD2-CB 3.31Å |
| 205 | K | 94.6 | Very high | 94.7 | Very high | 107 Ų | 107 | 41 Ų | 41 | 47% | 0.465 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 15.9 | 176.2 | -66 | -175.3 | 176.4 | -164.1 | 0 | 111.8 | D203 Y207 A237 Y238 | D203-K205 PolarHBondContact O-N 3.05Å; D203-K205 VanDerWaalsContact OD1-C 3.3Å; D203-K205 WeakPolarHBondContact OD1-CA 3.36Å; D203-K205 PolarHBondContact OD1-N 2.88Å; K205-Y207 HydrophobicContact CB-CD2 3.68Å; K205-Y207 HydrophobicContact CB-CE2 3.91Å; K205-Y207 HydrophobicContact CD-CE2 4.44Å; K205-Y207 PolarHBondContact O-N 3.08Å; K205-A237 WeakPolarHBondContact O-CB 3.48Å; K205-A237 PolarHBondContact O-N 2.72Å; K205-Y238 HydrophobicContact CD-CE2 4.27Å; K205-Y238 PolarHBondContact NZ-OH 3.48Å |
| 206 | S | 96 | Very high | 94.8 | Very high | 39 Ų | 39 | 37.6 Ų | 37.6 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | trans | 58.7 | 26.1 | -177 | -45.5 | 0 | 0 | 0 | 0 | 114.6 | D203 N236 | D203-S206 WeakPolarHBondContact O-CA 3.39Å; D203-S206 PolarHBondContact O-N 3.41Å; D203-S206 PolarHBondContact OD1-N 2.88Å; D203-S206 VanDerWaalsContact OD1-N 3.1Å; S206-N236 WeakPolarHBondContact O-CA 3.48Å; S206-N236 WeakPolarHBondContact O-CB 3.14Å | ||
| 207 | Y | 96.3 | Very high | 95 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | trans | -72.3 | 134 | 168.3 | -78.3 | -108.2 | 0 | 0 | 0 | 109.2 | H178 K202 D203 K205 H211 N236 Y238 V245 | H178-Y207 PolarHBondContact NE2-O 2.9Å; H178-Y207 VanDerWaalsContact NE2-O 3.08Å; K202-Y207 WeakPolarHBondContact CA-O 3.35Å; D203-Y207 PolarHBondContact N-O 3.43Å; D203-Y207 WeakPolarHBondContact OD1-CB 3.33Å; D203-Y207 PolarHBondContact OD1-N 3.43Å; K205-Y207 HydrophobicContact CB-CD2 3.68Å; K205-Y207 HydrophobicContact CB-CE2 3.91Å; K205-Y207 HydrophobicContact CD-CE2 4.44Å; K205-Y207 PolarHBondContact O-N 3.08Å; Y207-H211 HydrophobicContact CD1-CB 3.56Å; Y207-H211 HydrophobicContact CE1-CB 4.33Å; Y207-H211 HydrophobicContact CG-CB 4.32Å; Y207-N236 HydrophobicContact CD2-CB 4.21Å; Y207-N236 HydrophobicContact CE2-CB 4.33Å; Y207-N236 WeakPolarHBondContact CE2-ND2 3.25Å; Y207-N236 PolarHBondContact OH-ND2 3.09Å; Y207-Y238 HydrophobicContact CE2-CE2 4.33Å; Y207-V245 HydrophobicContact CE1-CG2 4.09Å | ||
| 208 | T | 96.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | trans | -92.8 | 164.7 | 170.4 | 68.3 | 0 | 0 | 0 | 0 | 110.8 | C201 K202 L210 H211 T212 | C201-T208 WeakPolarHBondContact O-CA 3.36Å; K202-T208 HydrophobicContact CG-CG2 4.1Å; T208-L210 PolarHBondContact O-N 3.35Å; T208-L210 PolarHBondContact OG1-N 3.23Å; T208-H211 PolarHBondContact N-ND1 3.24Å; T208-H211 WeakPolarHBondContact O-CB 3.44Å; T208-H211 PolarHBondContact O-N 3.2Å; T208-H211 PolarHBondContact OG1-N 3.2Å; T208-H211 PolarHBondContact OG1-ND1 3.46Å; T208-T212 PolarHBondContact O-N 3.47Å; T208-T212 VanDerWaalsContact O-N 3.14Å | ||
| 209 | P | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.2 | -30.6 | 171.6 | -27.9 | 36.9 | 0 | 0 | 0 | 113.4 | I177 A181 V199 C201 T212 A213 L225 | I177-P209 HydrophobicContact CG1-CB 4.38Å; I177-P209 HydrophobicContact CG1-CG 4.37Å; I177-P209 HydrophobicContact CG2-CG 3.81Å; A181-P209 HydrophobicContact CB-CB 4.05Å; V199-P209 WeakPolarHBondContact O-CD 3.45Å; V199-P209 WeakPolarHBondContact O-CG 3.25Å; C201-P209 WeakPolarHBondContact O-CD 3.42Å; P209-T212 PolarHBondContact O-N 3.07Å; P209-T212 PolarHBondContact O-OG1 3.18Å; P209-A213 WeakPolarHBondContact O-CB 3.25Å; P209-A213 PolarHBondContact O-N 2.79Å; P209-L225 HydrophobicContact CB-CD1 4.01Å |
| 210 | L | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -41.5 | 174.1 | -177.3 | 61.2 | 0 | 0 | 0 | 111.5 | T208 T212 A213 A214 V222 L225 L226 V230 P242 | T208-L210 PolarHBondContact O-N 3.35Å; T208-L210 PolarHBondContact OG1-N 3.23Å; L210-T212 VanDerWaalsContact C-N 3.33Å; L210-T212 PolarHBondContact O-N 3.23Å; L210-A213 PolarHBondContact O-N 3.37Å; L210-A214 WeakPolarHBondContact O-CB 3.34Å; L210-A214 PolarHBondContact O-N 3.36Å; L210-V222 HydrophobicContact CD1-CB 4.3Å; L210-V222 HydrophobicContact CD1-CG1 3.95Å; L210-V222 HydrophobicContact CD1-CG2 4.24Å; L210-L225 HydrophobicContact CB-CD1 4.26Å; L210-L225 HydrophobicContact CD1-CB 4.32Å; L210-L226 HydrophobicContact CD1-CD2 4.38Å; L210-L226 HydrophobicContact CD1-CG 4.38Å; L210-L226 HydrophobicContact CD2-CD2 3.85Å; L210-V230 HydrophobicContact CB-CG1 4.23Å; L210-V230 HydrophobicContact CD2-CG1 4.02Å; L210-P242 HydrophobicContact CB-CG 4.44Å; L210-P242 HydrophobicContact CD2-CB 4.35Å; L210-P242 HydrophobicContact CD2-CG 3.81Å; L210-P242 HydrophobicContact CG-CB 4.05Å; L210-P242 HydrophobicContact CG-CG 3.83Å |
| 211 | H | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63 | -39.3 | 173.9 | -69.1 | 88.1 | 0 | 0 | 0 | 112.4 | Y207 T208 A214 S215 E234 N240 P242 | Y207-H211 HydrophobicContact CD1-CB 3.56Å; Y207-H211 HydrophobicContact CE1-CB 4.33Å; Y207-H211 HydrophobicContact CG-CB 4.32Å; T208-H211 PolarHBondContact N-ND1 3.24Å; T208-H211 WeakPolarHBondContact O-CB 3.44Å; T208-H211 PolarHBondContact O-N 3.2Å; T208-H211 PolarHBondContact OG1-N 3.2Å; T208-H211 PolarHBondContact OG1-ND1 3.46Å; H211-A214 PolarHBondContact O-N 2.98Å; H211-S215 WeakPolarHBondContact O-CB 3.22Å; H211-S215 PolarHBondContact O-N 2.96Å; H211-E234 PolarHBondContact CE1-O 3.4Å; H211-E234 PolarHBondContact NE2-O 2.96Å; H211-N240 PolarHBondContact NE2-O 2.94Å; H211-P242 WeakPolarHBondContact NE2-CD 3.49Å |
| 212 | T | 95.9 | Very high | 95.8 | Very high | 16 Ų | 16 | 35 Ų | 35 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.7 | -40.3 | -179.2 | 63.3 | 0 | 0 | 0 | 0 | 111.6 | H178 T208 P209 L210 S215 S216 | H178-T212 PolarHBondContact O-OG1 2.91Å; T208-T212 PolarHBondContact O-N 3.47Å; T208-T212 VanDerWaalsContact O-N 3.14Å; P209-T212 PolarHBondContact O-N 3.07Å; P209-T212 PolarHBondContact O-OG1 3.18Å; L210-T212 VanDerWaalsContact C-N 3.33Å; L210-T212 PolarHBondContact O-N 3.23Å; T212-S215 WeakPolarHBondContact O-CB 3.36Å; T212-S215 PolarHBondContact O-N 3.43Å; T212-S216 PolarHBondContact O-N 3.18Å; T212-S216 PolarHBondContact O-OG 3.36Å; T212-S216 VanDerWaalsContact O-OG 3.13Å |
| 213 | A | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64 | -40.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A181 P209 L210 S215 S216 G217 M218 V221 V222 | A181-A213 HydrophobicContact CB-CB 4.3Å; P209-A213 WeakPolarHBondContact O-CB 3.25Å; P209-A213 PolarHBondContact O-N 2.79Å; L210-A213 PolarHBondContact O-N 3.37Å; A213-S215 VanDerWaalsContact C-N 3.33Å; A213-S215 PolarHBondContact O-N 3.45Å; A213-S216 PolarHBondContact O-N 2.74Å; A213-S216 PolarHBondContact O-OG 3.15Å; A213-G217 PolarHBondContact O-N 2.87Å; A213-M218 HydrophobicContact CB-CB 4.38Å; A213-M218 PolarHBondContact O-N 3.03Å; A213-V221 HydrophobicContact CB-CB 4.17Å; A213-V221 HydrophobicContact CB-CG1 3.89Å; A213-V222 HydrophobicContact CB-CG2 3.84Å |
| 214 | A | 96.3 | Very high | 96 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.9 | -35.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L210 H211 P242 A246 V254 L258 | L210-A214 WeakPolarHBondContact O-CB 3.34Å; L210-A214 PolarHBondContact O-N 3.36Å; H211-A214 PolarHBondContact O-N 2.98Å; A214-P242 HydrophobicContact CB-CB 4.04Å; A214-A246 HydrophobicContact CB-CB 4.27Å; A214-V254 HydrophobicContact CB-CG1 4.19Å; A214-L258 HydrophobicContact CB-CD1 4.49Å |
| 215 | S | 95.3 | Very high | 96 | Very high | 32 Ų | 32 | 28.4 Ų | 28.4 | 22% | 0.224 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.8 | -37.7 | 175.7 | -170.7 | 0 | 0 | 0 | 0 | 113.2 | H211 T212 A213 N249 | H211-S215 WeakPolarHBondContact O-CB 3.22Å; H211-S215 PolarHBondContact O-N 2.96Å; T212-S215 WeakPolarHBondContact O-CB 3.36Å; T212-S215 PolarHBondContact O-N 3.43Å; A213-S215 VanDerWaalsContact C-N 3.33Å; A213-S215 PolarHBondContact O-N 3.45Å; S215-N249 PolarHBondContact O-ND2 3.31Å; S215-N249 PolarHBondContact OG-ND2 3.38Å |
| 216 | S | 94 | Very high | 96 | Very high | 26 Ų | 26 | 24.6 Ų | 24.6 | 18% | 0.182 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -95.8 | -5 | -175.4 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | Y182 T212 A213 M218 | Y182-S216 WeakPolarHBondContact O-CB 3.36Å; Y182-S216 PolarHBondContact O-OG 2.76Å; T212-S216 PolarHBondContact O-N 3.18Å; T212-S216 PolarHBondContact O-OG 3.36Å; T212-S216 VanDerWaalsContact O-OG 3.13Å; A213-S216 PolarHBondContact O-N 2.74Å; A213-S216 PolarHBondContact O-OG 3.15Å; S216-M218 WeakPolarHBondContact OG-CG 3.4Å |
| 217 | G | 94.6 | Very high | 95.9 | Very high | 21 Ų | 21 | 29.2 Ų | 29.2 | 22% | 0.216 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 20.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | A213 I219 Q251 | A213-G217 PolarHBondContact O-N 2.87Å; G217-I219 PolarHBondContact O-N 2.9Å; G217-Q251 VanDerWaalsContact CA-CD 3.48Å |
| 218 | M | 95.9 | Very high | 95.8 | Very high | 61 Ų | 61 | 30.4 Ų | 30.4 | 30% | 0.3 | 17% | 0.169 | S | C | . | . | trans | -85.6 | 76.7 | -170.8 | -59.2 | -62.5 | 172.1 | 0 | 0 | 112.1 | G184 A213 S216 S220 V221 V222 | G184-M218 VanDerWaalsContact CA-CG 3.48Å; G184-M218 VanDerWaalsContact CA-SD 3.55Å; A213-M218 HydrophobicContact CB-CB 4.38Å; A213-M218 PolarHBondContact O-N 3.03Å; S216-M218 WeakPolarHBondContact OG-CG 3.4Å; M218-S220 PolarHBondContact O-N 3.13Å; M218-V221 HydrophobicContact CB-CB 4.32Å; M218-V221 HydrophobicContact CB-CG2 4.39Å; M218-V221 PolarHBondContact O-N 2.86Å; M218-V221 VanDerWaalsContact O-N 3.1Å; M218-V222 WeakPolarHBondContact O-CG2 3.38Å; M218-V222 PolarHBondContact O-N 3.13Å | ||
| 219 | I | 96.1 | Very high | 95.4 | Very high | 41 Ų | 41 | 33.4 Ų | 33.4 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.1 | -40.8 | -172.7 | -173 | 155.6 | 0 | 0 | 0 | 114.3 | G217 V221 V222 K223 V253 V254 E257 | G217-I219 PolarHBondContact O-N 2.9Å; I219-V221 PolarHBondContact O-N 3.33Å; I219-V222 WeakPolarHBondContact O-CB 3.35Å; I219-V222 PolarHBondContact O-N 3.04Å; I219-V222 VanDerWaalsContact O-N 3.13Å; I219-K223 HydrophobicContact CG1-CD 4.24Å; I219-K223 HydrophobicContact CG1-CG 4.27Å; I219-K223 WeakPolarHBondContact O-CG 3.43Å; I219-K223 PolarHBondContact O-N 3.19Å; I219-V253 HydrophobicContact CD1-CG1 3.55Å; I219-V254 HydrophobicContact CB-CG2 4.28Å; I219-E257 HydrophobicContact CD1-CB 3.86Å; I219-E257 HydrophobicContact CD1-CG 4.12Å; I219-E257 HydrophobicContact CG1-CB 4.45Å; I219-E257 HydrophobicContact CG1-CG 4.37Å |
| 220 | S | 96.6 | Very high | 95.3 | Very high | 74 Ų | 74 | 34 Ų | 34 | 52% | 0.517 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.3 | -33.5 | -179.3 | -49.7 | 0 | 0 | 0 | 0 | 112.3 | M218 Y224 | M218-S220 PolarHBondContact O-N 3.13Å; S220-Y224 WeakPolarHBondContact O-CB 3.44Å; S220-Y224 PolarHBondContact O-N 3.16Å |
| 221 | V | 96.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -76.3 | -40.7 | 175.1 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | A181 I186 V189 A213 M218 I219 Y224 L225 | A181-V221 HydrophobicContact CB-CG1 3.9Å; I186-V221 HydrophobicContact CB-CG2 4.19Å; I186-V221 HydrophobicContact CD1-CG2 4.35Å; V189-V221 HydrophobicContact CG1-CG1 4.39Å; V189-V221 HydrophobicContact CG2-CG1 4.18Å; V189-V221 HydrophobicContact CG2-CG2 4.43Å; A213-V221 HydrophobicContact CB-CB 4.17Å; A213-V221 HydrophobicContact CB-CG1 3.89Å; M218-V221 HydrophobicContact CB-CB 4.32Å; M218-V221 HydrophobicContact CB-CG2 4.39Å; M218-V221 PolarHBondContact O-N 2.86Å; M218-V221 VanDerWaalsContact O-N 3.1Å; I219-V221 PolarHBondContact O-N 3.33Å; V221-Y224 PolarHBondContact O-N 3.42Å; V221-L225 HydrophobicContact CG1-CD1 3.74Å; V221-L225 HydrophobicContact CG1-CG 4.06Å; V221-L225 WeakPolarHBondContact O-CB 3.44Å; V221-L225 VanDerWaalsContact O-CG 3.29Å; V221-L225 WeakPolarHBondContact O-CG 3.45Å; V221-L225 PolarHBondContact O-N 3.48Å |
| 222 | V | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.1 | -52.5 | 175.2 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | L210 A213 M218 I219 Y224 L225 L226 V254 L258 | L210-V222 HydrophobicContact CD1-CB 4.3Å; L210-V222 HydrophobicContact CD1-CG1 3.95Å; L210-V222 HydrophobicContact CD1-CG2 4.24Å; A213-V222 HydrophobicContact CB-CG2 3.84Å; M218-V222 WeakPolarHBondContact O-CG2 3.38Å; M218-V222 PolarHBondContact O-N 3.13Å; I219-V222 WeakPolarHBondContact O-CB 3.35Å; I219-V222 PolarHBondContact O-N 3.04Å; I219-V222 VanDerWaalsContact O-N 3.13Å; V222-Y224 PolarHBondContact O-N 3.2Å; V222-L225 PolarHBondContact O-N 3.47Å; V222-L226 HydrophobicContact CG1-CD1 3.82Å; V222-L226 HydrophobicContact CG1-CG 4.42Å; V222-L226 VanDerWaalsContact O-CG 3.3Å; V222-L226 WeakPolarHBondContact O-CG 3.3Å; V222-L226 PolarHBondContact O-N 3.14Å; V222-V254 HydrophobicContact CG1-CG1 4.43Å; V222-V254 HydrophobicContact CG2-CG1 4Å; V222-V254 HydrophobicContact CG2-CG2 4.48Å; V222-L258 HydrophobicContact CG1-CD2 3.98Å; V222-L258 HydrophobicContact CG1-CG 4.45Å |
| 223 | K | 96.1 | Very high | 94.9 | Very high | 85 Ų | 85 | 40.2 Ų | 40.2 | 37% | 0.37 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -52.7 | -53.2 | 176.7 | -74 | -177.2 | 171 | -170.8 | 0 | 112 | I219 L225 L226 D227 E257 | I219-K223 HydrophobicContact CG1-CD 4.24Å; I219-K223 HydrophobicContact CG1-CG 4.27Å; I219-K223 WeakPolarHBondContact O-CG 3.43Å; I219-K223 PolarHBondContact O-N 3.19Å; K223-L225 PolarHBondContact O-N 3.24Å; K223-L226 PolarHBondContact O-N 3.43Å; K223-D227 PolarHBondContact O-N 3.19Å; K223-E257 WeakPolarHBondContact CE-OE1 3.4Å; K223-E257 WeakPolarHBondContact CE-OE2 3.3Å; K223-E257 HydrophobicContact CG-CG 4.12Å; K223-E257 IonicContact NZ-OE1 3.81Å; K223-E257 IonicContact NZ-OE2 3.85Å; K223-E257 PolarHBondContact NZ-OE2 3.25Å |
| 224 | Y | 96.3 | Very high | 94.8 | Very high | 42 Ų | 42 | 43 Ų | 43 | 17% | 0.165 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | -178.8 | -179.5 | -110 | 0 | 0 | 0 | 113.3 | I186 V189 K190 A193 S220 V221 V222 D227 L228 | I186-Y224 VanDerWaalsContact CD1-CB 3.49Å; I186-Y224 HydrophobicContact CD1-CD1 3.78Å; I186-Y224 HydrophobicContact CD1-CG 3.69Å; V189-Y224 HydrophobicContact CG1-CD1 3.99Å; V189-Y224 HydrophobicContact CG1-CE1 4.13Å; K190-Y224 HydrophobicContact CB-CE1 4.2Å; K190-Y224 HydrophobicContact CG-CD1 4.04Å; K190-Y224 HydrophobicContact CG-CD2 4.16Å; K190-Y224 HydrophobicContact CG-CE1 3.6Å; K190-Y224 HydrophobicContact CG-CE2 3.76Å; K190-Y224 HydrophobicContact CG-CG 4.3Å; K190-Y224 VanDerWaalsContact CG-CZ 3.46Å; A193-Y224 HydrophobicContact CB-CE1 4.39Å; S220-Y224 WeakPolarHBondContact O-CB 3.44Å; S220-Y224 PolarHBondContact O-N 3.16Å; V221-Y224 PolarHBondContact O-N 3.42Å; V222-Y224 PolarHBondContact O-N 3.2Å; Y224-D227 PolarHBondContact O-N 2.99Å; Y224-L228 HydrophobicContact CD1-CD1 4.18Å; Y224-L228 HydrophobicContact CE1-CD1 3.59Å; Y224-L228 HydrophobicContact CE1-CG 4.34Å; Y224-L228 HydrophobicContact CE2-CD1 4.47Å; Y224-L228 HydrophobicContact CE2-CD2 4.49Å; Y224-L228 HydrophobicContact CE2-CG 4.4Å; Y224-L228 WeakPolarHBondContact O-CG 3.41Å; Y224-L228 PolarHBondContact O-N 2.96Å |
| 225 | L | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.8 | -36.3 | 176.6 | -71 | 175.2 | 0 | 0 | 0 | 112 | V189 V199 P209 L210 V221 V222 K223 L228 V230 | V189-L225 HydrophobicContact CG1-CD2 4.14Å; V199-L225 HydrophobicContact CB-CD2 4.38Å; P209-L225 HydrophobicContact CB-CD1 4.01Å; L210-L225 HydrophobicContact CB-CD1 4.26Å; L210-L225 HydrophobicContact CD1-CB 4.32Å; V221-L225 HydrophobicContact CG1-CD1 3.74Å; V221-L225 HydrophobicContact CG1-CG 4.06Å; V221-L225 WeakPolarHBondContact O-CB 3.44Å; V221-L225 VanDerWaalsContact O-CG 3.29Å; V221-L225 WeakPolarHBondContact O-CG 3.45Å; V221-L225 PolarHBondContact O-N 3.48Å; V222-L225 PolarHBondContact O-N 3.47Å; K223-L225 PolarHBondContact O-N 3.24Å; L225-L228 PolarHBondContact O-N 3.38Å; L225-V230 HydrophobicContact CB-CG2 4.44Å; L225-V230 WeakPolarHBondContact O-CB 3.49Å; L225-V230 VanDerWaalsContact O-CG2 3.25Å; L225-V230 WeakPolarHBondContact O-CG2 3.11Å; L225-V230 PolarHBondContact O-N 2.99Å |
| 226 | L | 94.6 | Very high | 94.7 | Very high | 27 Ų | 27 | 44.8 Ų | 44.8 | 14% | 0.141 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.6 | -39.7 | 174.3 | -66.4 | 172.6 | 0 | 0 | 0 | 111.6 | L210 V222 K223 L228 G229 I232 L258 C261 | L210-L226 HydrophobicContact CD1-CD2 4.38Å; L210-L226 HydrophobicContact CD1-CG 4.38Å; L210-L226 HydrophobicContact CD2-CD2 3.85Å; V222-L226 HydrophobicContact CG1-CD1 3.82Å; V222-L226 HydrophobicContact CG1-CG 4.42Å; V222-L226 VanDerWaalsContact O-CG 3.3Å; V222-L226 WeakPolarHBondContact O-CG 3.3Å; V222-L226 PolarHBondContact O-N 3.14Å; K223-L226 PolarHBondContact O-N 3.43Å; L226-L228 PolarHBondContact O-N 3.26Å; L226-G229 PolarHBondContact O-N 2.93Å; L226-I232 HydrophobicContact CD1-CD1 4.24Å; L226-I232 HydrophobicContact CD2-CB 3.87Å; L226-I232 HydrophobicContact CD2-CD1 3.96Å; L226-I232 HydrophobicContact CD2-CG1 3.86Å; L226-L258 HydrophobicContact CD1-CD2 4.22Å; L226-C261 HydrophobicContact CD1-CB 4.02Å |
| 227 | D | 94.5 | Very high | 94.8 | Very high | 135 Ų | 135 | 46.5 Ų | 46.5 | 72% | 0.722 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.4 | -28.5 | 174.4 | -67.9 | -24.4 | 0 | 0 | 0 | 112.4 | K223 Y224 G229 | K223-D227 PolarHBondContact O-N 3.19Å; Y224-D227 PolarHBondContact O-N 2.99Å; D227-G229 PolarHBondContact O-N 3.5Å |
| 228 | L | 93.3 | Very high | 94.7 | Very high | 75 Ų | 75 | 50.6 Ų | 50.6 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 2.3 | 174.3 | -68.6 | 178.5 | 0 | 0 | 0 | 113.7 | A193 V199 Y224 L225 L226 | A193-L228 HydrophobicContact CB-CD1 4.02Å; V199-L228 HydrophobicContact CG1-CD1 3.94Å; Y224-L228 HydrophobicContact CD1-CD1 4.18Å; Y224-L228 HydrophobicContact CE1-CD1 3.59Å; Y224-L228 HydrophobicContact CE1-CG 4.34Å; Y224-L228 HydrophobicContact CE2-CD1 4.47Å; Y224-L228 HydrophobicContact CE2-CD2 4.49Å; Y224-L228 HydrophobicContact CE2-CG 4.4Å; Y224-L228 WeakPolarHBondContact O-CG 3.41Å; Y224-L228 PolarHBondContact O-N 2.96Å; L225-L228 PolarHBondContact O-N 3.38Å; L226-L228 PolarHBondContact O-N 3.26Å |
| 229 | G | 89.6 | Confident | 94.7 | Very high | 66 Ų | 66 | 48 Ų | 48 | 68% | 0.68 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 24.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L226 D227 D231 | L226-G229 PolarHBondContact O-N 2.93Å; D227-G229 PolarHBondContact O-N 3.5Å; G229-D231 PolarHBondContact O-N 3.49Å |
| 230 | V | 93.5 | Very high | 94.7 | Very high | 13 Ų | 13 | 46.7 Ų | 46.7 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | trans | -66.7 | 129.9 | 170.2 | 176.9 | 0 | 0 | 0 | 0 | 108.9 | V199 L210 L225 I232 | V199-V230 HydrophobicContact CB-CG2 4.12Å; V199-V230 HydrophobicContact CG2-CG2 3.82Å; L210-V230 HydrophobicContact CB-CG1 4.23Å; L210-V230 HydrophobicContact CD2-CG1 4.02Å; L225-V230 HydrophobicContact CB-CG2 4.44Å; L225-V230 WeakPolarHBondContact O-CB 3.49Å; L225-V230 VanDerWaalsContact O-CG2 3.25Å; L225-V230 WeakPolarHBondContact O-CG2 3.11Å; L225-V230 PolarHBondContact O-N 2.99Å; V230-I232 PolarHBondContact O-N 3.26Å | ||
| 231 | D | 93.6 | Very high | 94.7 | Very high | 81 Ų | 81 | 43.3 Ų | 43.3 | 43% | 0.433 | 24% | 0.244 | S | C | . | . | trans | -63.1 | 121.6 | 177.8 | 173.7 | 14.3 | 0 | 0 | 0 | 110.9 | G229 N233 E234 | G229-D231 PolarHBondContact O-N 3.49Å; D231-N233 VanDerWaalsContact C-N 3.28Å; D231-N233 PolarHBondContact O-N 2.83Å; D231-N233 PolarHBondContact OD1-N 3.22Å; D231-E234 HydrophobicContact CB-CG 3.67Å | ||
| 232 | I | 94.5 | Very high | 94.7 | Very high | 20 Ų | 20 | 43.2 Ų | 43.2 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -24.5 | -176.7 | -165.1 | 165.1 | 0 | 0 | 0 | 113 | L226 V230 P242 L258 C261 A263 | L226-I232 HydrophobicContact CD1-CD1 4.24Å; L226-I232 HydrophobicContact CD2-CB 3.87Å; L226-I232 HydrophobicContact CD2-CD1 3.96Å; L226-I232 HydrophobicContact CD2-CG1 3.86Å; V230-I232 PolarHBondContact O-N 3.26Å; I232-P242 VanDerWaalsContact O-CD 3.32Å; I232-P242 WeakPolarHBondContact O-CD 3.19Å; I232-L258 HydrophobicContact CD1-CB 4.4Å; I232-L258 HydrophobicContact CD1-CD2 3.87Å; I232-L258 VanDerWaalsContact CD1-O 3.27Å; I232-L258 WeakPolarHBondContact CD1-O 3.44Å; I232-L258 HydrophobicContact CG1-CD2 3.79Å; I232-C261 HydrophobicContact CD1-CB 3.61Å; I232-A263 HydrophobicContact CD1-CB 3.83Å; I232-A263 HydrophobicContact CG1-CB 4.01Å |
| 233 | N | 92.6 | Very high | 94.7 | Very high | 44 Ų | 44 | 43.3 Ų | 43.3 | 24% | 0.235 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 10.5 | -175.9 | -65.8 | -54.8 | 0 | 0 | 0 | 113.1 | D231 P235 T241 N264 | D231-N233 VanDerWaalsContact C-N 3.28Å; D231-N233 PolarHBondContact O-N 2.83Å; D231-N233 PolarHBondContact OD1-N 3.22Å; N233-P235 WeakPolarHBondContact O-CD 3.23Å; N233-T241 WeakPolarHBondContact O-CG2 3.35Å; N233-N264 PolarHBondContact OD1-N 2.98Å; N233-N264 VanDerWaalsContact OD1-N 3.16Å |
| 234 | E | 94.1 | Very high | 94.7 | Very high | 58 Ų | 58 | 39.2 Ų | 39.2 | 27% | 0.271 | 23% | 0.226 | S | C | . | . | trans | -55.6 | 123.4 | 177.9 | -86.8 | -73.8 | 158.8 | 0 | 0 | 111.4 | K202 H211 D231 | K202-E234 WeakPolarHBondContact CE-OE2 3.29Å; K202-E234 IonicContact NZ-OE2 3.37Å; K202-E234 PolarHBondContact NZ-OE2 3.44Å; H211-E234 PolarHBondContact CE1-O 3.4Å; H211-E234 PolarHBondContact NE2-O 2.96Å; D231-E234 HydrophobicContact CB-CG 3.67Å | ||
| 235 | P | 94.9 | Very high | 94.6 | Very high | 63 Ų | 63 | 37.8 Ų | 37.8 | 41% | 0.409 | 22% | 0.222 | S | C | . | . | trans | -83.7 | 141.9 | 178.1 | 30.3 | -31.5 | 0 | 0 | 0 | 111.8 | N233 | N233-P235 WeakPolarHBondContact O-CD 3.23Š| ||
| 236 | N | 95.4 | Very high | 94.7 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | trans | -80 | -174.9 | 164.8 | 72.1 | 18.5 | 0 | 0 | 0 | 112.1 | S206 Y207 Y238 G239 N240 | S206-N236 WeakPolarHBondContact O-CA 3.48Å; S206-N236 WeakPolarHBondContact O-CB 3.14Å; Y207-N236 HydrophobicContact CD2-CB 4.21Å; Y207-N236 HydrophobicContact CE2-CB 4.33Å; Y207-N236 WeakPolarHBondContact CE2-ND2 3.25Å; Y207-N236 PolarHBondContact OH-ND2 3.09Å; N236-Y238 PolarHBondContact O-N 2.85Å; N236-Y238 WeakPolarHBondContact OD1-CB 3.08Å; N236-Y238 PolarHBondContact OD1-N 3.11Å; N236-G239 PolarHBondContact O-N 2.84Å; N236-N240 VanDerWaalsContact CG-O 3.3Å; N236-N240 PolarHBondContact N-O 2.8Å; N236-N240 WeakPolarHBondContact OD1-CB 3.03Å; N236-N240 PolarHBondContact OD1-N 3.33Å; N236-N240 PolarHBondContact OD1-O 3.2Å | ||
| 237 | A | 95.4 | Very high | 94.7 | Very high | 61 Ų | 61 | 36.5 Ų | 36.5 | 50% | 0.504 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -12.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K205 | K205-A237 WeakPolarHBondContact O-CB 3.48Å; K205-A237 PolarHBondContact O-N 2.72Å |
| 238 | Y | 94.1 | Very high | 94.7 | Very high | 108 Ų | 108 | 36.2 Ų | 36.2 | 42% | 0.424 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 3.9 | 175.1 | -52.1 | -69.3 | 0 | 0 | 0 | 112.6 | K205 Y207 N236 N240 E270 | K205-Y238 HydrophobicContact CD-CE2 4.27Å; K205-Y238 PolarHBondContact NZ-OH 3.48Å; Y207-Y238 HydrophobicContact CE2-CE2 4.33Å; N236-Y238 PolarHBondContact O-N 2.85Å; N236-Y238 WeakPolarHBondContact OD1-CB 3.08Å; N236-Y238 PolarHBondContact OD1-N 3.11Å; Y238-N240 WeakPolarHBondContact CB-ND2 3.27Å; Y238-N240 PolarHBondContact O-N 3.46Å; Y238-E270 WeakPolarHBondContact O-CB 3.45Å; Y238-E270 PolarHBondContact O-N 2.99Å |
| 239 | G | 94.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 75.3 | 8.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | N236 N269 | N236-G239 PolarHBondContact O-N 2.84Å; G239-N269 VanDerWaalsContact O-CA 3.29Å; G239-N269 WeakPolarHBondContact O-CA 3.47Å; G239-N269 VanDerWaalsContact O-CB 3.3Å; G239-N269 WeakPolarHBondContact O-CB 3.43Å |
| 240 | N | 96.4 | Very high | 94.9 | Very high | 15 Ų | 15 | 32.9 Ų | 32.9 | 8% | 0.08 | 17% | 0.174 | C | C | . | . | trans | -82 | 131.3 | -179.1 | -62.1 | -41.3 | 0 | 0 | 0 | 109.4 | H211 N236 Y238 H244 V245 N269 F278 | H211-N240 PolarHBondContact NE2-O 2.94Å; N236-N240 VanDerWaalsContact CG-O 3.3Å; N236-N240 PolarHBondContact N-O 2.8Å; N236-N240 WeakPolarHBondContact OD1-CB 3.03Å; N236-N240 PolarHBondContact OD1-N 3.33Å; N236-N240 PolarHBondContact OD1-O 3.2Å; Y238-N240 WeakPolarHBondContact CB-ND2 3.27Å; Y238-N240 PolarHBondContact O-N 3.46Å; N240-H244 HydrophobicContact CB-CB 3.91Å; N240-V245 HydrophobicContact CB-CG2 4.48Å; N240-N269 WeakPolarHBondContact OD1-CB 3.28Å; N240-N269 PolarHBondContact OD1-ND2 3.34Å; N240-F278 VanDerWaalsContact OD1-CZ 3.24Å; N240-F278 WeakPolarHBondContact OD1-CZ 3.3Å | ||
| 241 | T | 96.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | trans | -82.7 | 168.7 | 170.7 | 69.6 | 0 | 0 | 0 | 0 | 111.5 | N233 L243 H244 V245 Q267 | N233-T241 WeakPolarHBondContact O-CG2 3.35Å; T241-L243 PolarHBondContact O-N 3.16Å; T241-H244 PolarHBondContact N-ND1 3.3Å; T241-H244 VanDerWaalsContact N-ND1 3.15Å; T241-H244 WeakPolarHBondContact O-CB 3.47Å; T241-H244 PolarHBondContact O-N 2.9Å; T241-H244 VanDerWaalsContact O-N 3.07Å; T241-H244 PolarHBondContact OG1-ND1 3.24Å; T241-V245 PolarHBondContact O-N 2.86Å; T241-Q267 HydrophobicContact CG2-CB 4.48Å; T241-Q267 HydrophobicContact CG2-CG 3.8Å | ||
| 242 | P | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -53.3 | -36.5 | 172.6 | -27.1 | 35.1 | 0 | 0 | 0 | 113.2 | L210 H211 A214 I232 H244 V245 A246 L258 | L210-P242 HydrophobicContact CB-CG 4.44Å; L210-P242 HydrophobicContact CD2-CB 4.35Å; L210-P242 HydrophobicContact CD2-CG 3.81Å; L210-P242 HydrophobicContact CG-CB 4.05Å; L210-P242 HydrophobicContact CG-CG 3.83Å; H211-P242 WeakPolarHBondContact NE2-CD 3.49Å; A214-P242 HydrophobicContact CB-CB 4.04Å; I232-P242 VanDerWaalsContact O-CD 3.32Å; I232-P242 WeakPolarHBondContact O-CD 3.19Å; P242-H244 PolarHBondContact O-N 3.34Å; P242-V245 PolarHBondContact O-N 2.97Å; P242-A246 PolarHBondContact O-N 3.49Å; P242-L258 HydrophobicContact CB-CD1 4.31Å |
| 243 | L | 96.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.6 | -176.3 | 62.4 | 0 | 0 | 0 | 112.1 | T241 V245 A246 C247 V255 L258 I259 A263 P275 L292 | T241-L243 PolarHBondContact O-N 3.16Å; L243-V245 VanDerWaalsContact C-N 3.3Å; L243-V245 PolarHBondContact O-N 3.3Å; L243-A246 PolarHBondContact O-N 3.44Å; L243-C247 VanDerWaalsContact O-CB 3.29Å; L243-C247 WeakPolarHBondContact O-CB 3.32Å; L243-C247 PolarHBondContact O-N 2.98Å; L243-C247 PolarHBondContact O-SG 2.9Å; L243-V255 HydrophobicContact CD1-CB 4.34Å; L243-V255 HydrophobicContact CD1-CG1 4Å; L243-V255 HydrophobicContact CD1-CG2 4.21Å; L243-L258 HydrophobicContact CB-CD1 4.32Å; L243-L258 HydrophobicContact CD1-CB 4.17Å; L243-L258 HydrophobicContact CD1-CD1 4.29Å; L243-I259 HydrophobicContact CD1-CG1 4.3Å; L243-A263 HydrophobicContact CB-CB 4.47Å; L243-A263 HydrophobicContact CD2-CB 4.02Å; L243-P275 HydrophobicContact CD2-CB 4.24Å; L243-P275 HydrophobicContact CD2-CG 3.87Å; L243-P275 HydrophobicContact CG-CB 4.13Å; L243-P275 HydrophobicContact CG-CG 4.07Å; L243-L292 HydrophobicContact CD2-CD2 4.36Å |
| 244 | H | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.1 | -43.1 | 175.3 | -69.8 | 87.1 | 0 | 0 | 0 | 111.8 | N240 T241 P242 C247 Y248 Q267 F273 P275 F278 | N240-H244 HydrophobicContact CB-CB 3.91Å; T241-H244 PolarHBondContact N-ND1 3.3Å; T241-H244 VanDerWaalsContact N-ND1 3.15Å; T241-H244 WeakPolarHBondContact O-CB 3.47Å; T241-H244 PolarHBondContact O-N 2.9Å; T241-H244 VanDerWaalsContact O-N 3.07Å; T241-H244 PolarHBondContact OG1-ND1 3.24Å; P242-H244 PolarHBondContact O-N 3.34Å; H244-C247 PolarHBondContact O-N 2.88Å; H244-Y248 PolarHBondContact O-N 3.02Å; H244-Q267 PolarHBondContact CE1-O 3.19Å; H244-Q267 PolarHBondContact NE2-O 3.48Å; H244-Q267 VanDerWaalsContact NE2-O 3.09Å; H244-F273 PolarHBondContact NE2-O 3.43Å; H244-F273 VanDerWaalsContact NE2-O 3.1Å; H244-P275 WeakPolarHBondContact NE2-CD 3.1Å; H244-F278 HydrophobicContact CB-CD2 4.42Å; H244-F278 HydrophobicContact CB-CE2 4.47Å; H244-F278 AromaticContact CD2-CD2 3.66Å; H244-F278 AromaticContact CD2-CE2 3.6Å |
| 245 | V | 95.4 | Very high | 95.3 | Very high | 11 Ų | 11 | 31.9 Ų | 31.9 | 7% | 0.067 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.2 | -40.1 | -177.9 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | Y207 N240 T241 P242 L243 N249 | Y207-V245 HydrophobicContact CE1-CG2 4.09Å; N240-V245 HydrophobicContact CB-CG2 4.48Å; T241-V245 PolarHBondContact O-N 2.86Å; P242-V245 PolarHBondContact O-N 2.97Å; L243-V245 VanDerWaalsContact C-N 3.3Å; L243-V245 PolarHBondContact O-N 3.3Å; V245-N249 PolarHBondContact O-N 3.06Å; V245-N249 PolarHBondContact O-ND2 3.22Å |
| 246 | A | 96 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A214 P242 L243 Y248 N249 G250 Q251 V254 V255 L258 | A214-A246 HydrophobicContact CB-CB 4.27Å; P242-A246 PolarHBondContact O-N 3.49Å; L243-A246 PolarHBondContact O-N 3.44Å; A246-Y248 PolarHBondContact O-N 3.4Å; A246-N249 PolarHBondContact O-N 3.35Å; A246-G250 PolarHBondContact O-N 3.11Å; A246-Q251 HydrophobicContact CB-CB 4.33Å; A246-Q251 PolarHBondContact O-N 3.19Å; A246-V254 HydrophobicContact CB-CG1 4.16Å; A246-V255 HydrophobicContact CB-CG2 3.74Å; A246-L258 HydrophobicContact CB-CD1 4.31Å |
| 247 | C | 95.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 177.7 | -75.4 | 0 | 0 | 0 | 0 | 112.9 | L243 H244 N249 G250 F278 T279 | L243-C247 VanDerWaalsContact O-CB 3.29Å; L243-C247 WeakPolarHBondContact O-CB 3.32Å; L243-C247 PolarHBondContact O-N 2.98Å; L243-C247 PolarHBondContact O-SG 2.9Å; H244-C247 PolarHBondContact O-N 2.88Å; C247-N249 VanDerWaalsContact C-N 3.35Å; C247-N249 PolarHBondContact O-N 3.23Å; C247-G250 PolarHBondContact O-N 3.16Å; C247-F278 HydrophobicContact CB-CB 4.23Å; C247-T279 HydrophobicContact CB-CG2 3.44Å; C247-T279 VanDerWaalsContact CB-CG2 3.44Å |
| 248 | Y | 94.3 | Very high | 95.3 | Very high | 129 Ų | 129 | 30 Ų | 30 | 51% | 0.506 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.7 | -42 | 178.5 | -173.1 | -110.2 | 0 | 0 | 0 | 112.5 | H244 A246 G250 F278 S282 | H244-Y248 PolarHBondContact O-N 3.02Å; A246-Y248 PolarHBondContact O-N 3.4Å; Y248-G250 VanDerWaalsContact C-N 3.29Å; Y248-G250 PolarHBondContact O-N 3.36Å; Y248-F278 AromaticContact CD2-CD1 3.7Å; Y248-F278 HydrophobicContact CD2-CD1 3.7Å; Y248-F278 HydrophobicContact CD2-CE1 4.49Å; Y248-F278 AromaticContact CG-CD1 3.99Å; Y248-F278 HydrophobicContact CG-CD1 3.99Å; Y248-S282 VanDerWaalsContact O-CB 3.24Å; Y248-S282 WeakPolarHBondContact O-CB 3.37Å; Y248-S282 PolarHBondContact O-OG 3.46Å |
| 249 | N | 93.6 | Very high | 95.4 | Very high | 61 Ų | 61 | 25.7 Ų | 25.7 | 33% | 0.326 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -81.1 | -9 | -179.6 | -67.4 | -58.6 | 0 | 0 | 0 | 113.3 | S215 V245 A246 C247 Q251 | S215-N249 PolarHBondContact O-ND2 3.31Å; S215-N249 PolarHBondContact OG-ND2 3.38Å; V245-N249 PolarHBondContact O-N 3.06Å; V245-N249 PolarHBondContact O-ND2 3.22Å; A246-N249 PolarHBondContact O-N 3.35Å; C247-N249 VanDerWaalsContact C-N 3.35Å; C247-N249 PolarHBondContact O-N 3.23Å; N249-Q251 HydrophobicContact CB-CG 4.07Å |
| 250 | G | 93.1 | Very high | 95.4 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 11% | 0.113 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 34.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A246 C247 Y248 D252 C288 | A246-G250 PolarHBondContact O-N 3.11Å; C247-G250 PolarHBondContact O-N 3.16Å; Y248-G250 VanDerWaalsContact C-N 3.29Å; Y248-G250 PolarHBondContact O-N 3.36Å; G250-D252 PolarHBondContact O-N 2.82Å; G250-C288 VanDerWaalsContact C-SG 3.51Å |
| 251 | Q | 95.1 | Very high | 95.2 | Very high | 56 Ų | 56 | 32.5 Ų | 32.5 | 26% | 0.262 | 17% | 0.172 | S | C | . | . | trans | -89.2 | 76.1 | -179.2 | -56.8 | -64.5 | -7 | 0 | 0 | 110.7 | G217 A246 N249 V253 V254 V255 | G217-Q251 VanDerWaalsContact CA-CD 3.48Å; A246-Q251 HydrophobicContact CB-CB 4.33Å; A246-Q251 PolarHBondContact O-N 3.19Å; N249-Q251 HydrophobicContact CB-CG 4.07Å; Q251-V253 PolarHBondContact O-N 2.83Å; Q251-V254 HydrophobicContact CB-CB 4.19Å; Q251-V254 HydrophobicContact CB-CG2 4.49Å; Q251-V254 PolarHBondContact O-N 2.89Å; Q251-V255 VanDerWaalsContact O-CG2 3.29Å; Q251-V255 WeakPolarHBondContact O-CG2 3.29Å; Q251-V255 PolarHBondContact O-N 3.22Å | ||
| 252 | D | 94.6 | Very high | 94.9 | Very high | 54 Ų | 54 | 35 Ų | 35 | 29% | 0.289 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.2 | -43.8 | -174.4 | 61.4 | -51.5 | 0 | 0 | 0 | 113.5 | G250 V254 V255 N256 L287 C288 L291 | G250-D252 PolarHBondContact O-N 2.82Å; D252-V254 VanDerWaalsContact C-N 3.32Å; D252-V254 PolarHBondContact O-N 3.09Å; D252-V255 WeakPolarHBondContact O-CB 3.32Å; D252-V255 PolarHBondContact O-N 3.11Å; D252-N256 PolarHBondContact O-N 2.89Å; D252-L287 HydrophobicContact CB-CB 3.89Å; D252-C288 VanDerWaalsContact CA-SG 3.55Å; D252-C288 PolarHBondContact N-SG 3.33Å; D252-L291 HydrophobicContact CB-CD1 4.03Å; D252-L291 WeakPolarHBondContact O-CD1 3.39Å |
| 253 | V | 95.8 | Very high | 94.8 | Very high | 83 Ų | 83 | 35.3 Ų | 35.3 | 50% | 0.503 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.3 | -39.4 | 179.8 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | I219 Q251 E257 | I219-V253 HydrophobicContact CD1-CG1 3.55Å; Q251-V253 PolarHBondContact O-N 2.83Å; V253-E257 PolarHBondContact O-N 2.87Å |
| 254 | V | 96 | Very high | 94.6 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.6 | -37.8 | 175.8 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | A214 I219 V222 A246 Q251 D252 N256 E257 L258 | A214-V254 HydrophobicContact CB-CG1 4.19Å; I219-V254 HydrophobicContact CB-CG2 4.28Å; V222-V254 HydrophobicContact CG1-CG1 4.43Å; V222-V254 HydrophobicContact CG2-CG1 4Å; V222-V254 HydrophobicContact CG2-CG2 4.48Å; A246-V254 HydrophobicContact CB-CG1 4.16Å; Q251-V254 HydrophobicContact CB-CB 4.19Å; Q251-V254 HydrophobicContact CB-CG2 4.49Å; Q251-V254 PolarHBondContact O-N 2.89Å; D252-V254 VanDerWaalsContact C-N 3.32Å; D252-V254 PolarHBondContact O-N 3.09Å; V254-N256 VanDerWaalsContact C-N 3.33Å; V254-N256 PolarHBondContact O-N 3.34Å; V254-E257 PolarHBondContact O-N 3.08Å; V254-L258 HydrophobicContact CG1-CD1 3.77Å; V254-L258 HydrophobicContact CG1-CG 4.05Å; V254-L258 WeakPolarHBondContact O-CB 3.29Å; V254-L258 VanDerWaalsContact O-CG 3.28Å; V254-L258 WeakPolarHBondContact O-CG 3.25Å; V254-L258 PolarHBondContact O-N 2.82Å |
| 255 | V | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.2 | -47.2 | 174.8 | 166.3 | 0 | 0 | 0 | 0 | 110.3 | L243 A246 Q251 D252 E257 L258 I259 C288 L291 | L243-V255 HydrophobicContact CD1-CB 4.34Å; L243-V255 HydrophobicContact CD1-CG1 4Å; L243-V255 HydrophobicContact CD1-CG2 4.21Å; A246-V255 HydrophobicContact CB-CG2 3.74Å; Q251-V255 VanDerWaalsContact O-CG2 3.29Å; Q251-V255 WeakPolarHBondContact O-CG2 3.29Å; Q251-V255 PolarHBondContact O-N 3.22Å; D252-V255 WeakPolarHBondContact O-CB 3.32Å; D252-V255 PolarHBondContact O-N 3.11Å; V255-E257 PolarHBondContact O-N 3.22Å; V255-L258 PolarHBondContact O-N 3.48Å; V255-I259 HydrophobicContact CG1-CD1 3.7Å; V255-I259 HydrophobicContact CG1-CG1 4.49Å; V255-I259 WeakPolarHBondContact O-CD1 3.34Å; V255-I259 WeakPolarHBondContact O-CG1 3.4Å; V255-I259 PolarHBondContact O-N 3.18Å; V255-C288 HydrophobicContact CG2-CB 4.39Å; V255-L291 HydrophobicContact CG1-CB 4.43Å; V255-L291 HydrophobicContact CG1-CD1 4.46Å |
| 256 | N | 95.4 | Very high | 94.5 | Very high | 56 Ų | 56 | 41 Ų | 41 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.7 | -49.1 | 177.6 | -167 | 81.3 | 0 | 0 | 0 | 111.5 | D252 V254 L258 I259 D260 L291 | D252-N256 PolarHBondContact O-N 2.89Å; V254-N256 VanDerWaalsContact C-N 3.33Å; V254-N256 PolarHBondContact O-N 3.34Å; N256-L258 PolarHBondContact O-N 2.85Å; N256-I259 PolarHBondContact O-N 3.13Å; N256-D260 PolarHBondContact ND2-OD2 2.88Å; N256-D260 VanDerWaalsContact O-CG 3.29Å; N256-D260 PolarHBondContact O-N 3.43Å; N256-L291 HydrophobicContact CB-CD1 4.15Å |
| 257 | E | 95.5 | Very high | 94.4 | Very high | 36 Ų | 36 | 44.3 Ų | 44.3 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -42.3 | 179.4 | -169 | 67.9 | -153.6 | 0 | 0 | 112.7 | I219 K223 V253 V254 V255 I259 D260 C261 | I219-E257 HydrophobicContact CD1-CB 3.86Å; I219-E257 HydrophobicContact CD1-CG 4.12Å; I219-E257 HydrophobicContact CG1-CB 4.45Å; I219-E257 HydrophobicContact CG1-CG 4.37Å; K223-E257 WeakPolarHBondContact CE-OE1 3.4Å; K223-E257 WeakPolarHBondContact CE-OE2 3.3Å; K223-E257 HydrophobicContact CG-CG 4.12Å; K223-E257 IonicContact NZ-OE1 3.81Å; K223-E257 IonicContact NZ-OE2 3.85Å; K223-E257 PolarHBondContact NZ-OE2 3.25Å; V253-E257 PolarHBondContact O-N 2.87Å; V254-E257 PolarHBondContact O-N 3.08Å; V255-E257 PolarHBondContact O-N 3.22Å; E257-I259 VanDerWaalsContact C-N 3.3Å; E257-I259 PolarHBondContact O-N 3.01Å; E257-D260 PolarHBondContact O-N 3.38Å; E257-C261 WeakPolarHBondContact O-CB 3.43Å; E257-C261 PolarHBondContact O-N 3.3Å; E257-C261 PolarHBondContact O-SG 3.03Å |
| 258 | L | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -40 | 177.2 | -72.1 | 172.1 | 0 | 0 | 0 | 111.2 | A214 V222 L226 I232 P242 L243 A246 V254 V255 N256 C261 G262 A263 | A214-L258 HydrophobicContact CB-CD1 4.49Å; V222-L258 HydrophobicContact CG1-CD2 3.98Å; V222-L258 HydrophobicContact CG1-CG 4.45Å; L226-L258 HydrophobicContact CD1-CD2 4.22Å; I232-L258 HydrophobicContact CD1-CB 4.4Å; I232-L258 HydrophobicContact CD1-CD2 3.87Å; I232-L258 VanDerWaalsContact CD1-O 3.27Å; I232-L258 WeakPolarHBondContact CD1-O 3.44Å; I232-L258 HydrophobicContact CG1-CD2 3.79Å; P242-L258 HydrophobicContact CB-CD1 4.31Å; L243-L258 HydrophobicContact CB-CD1 4.32Å; L243-L258 HydrophobicContact CD1-CB 4.17Å; L243-L258 HydrophobicContact CD1-CD1 4.29Å; A246-L258 HydrophobicContact CB-CD1 4.31Å; V254-L258 HydrophobicContact CG1-CD1 3.77Å; V254-L258 HydrophobicContact CG1-CG 4.05Å; V254-L258 WeakPolarHBondContact O-CB 3.29Å; V254-L258 VanDerWaalsContact O-CG 3.28Å; V254-L258 WeakPolarHBondContact O-CG 3.25Å; V254-L258 PolarHBondContact O-N 2.82Å; V255-L258 PolarHBondContact O-N 3.48Å; N256-L258 PolarHBondContact O-N 2.85Å; L258-C261 PolarHBondContact O-N 2.98Å; L258-G262 PolarHBondContact O-N 3.25Å; L258-A263 HydrophobicContact CB-CB 4.06Å; L258-A263 WeakPolarHBondContact O-CB 3.16Å; L258-A263 PolarHBondContact O-N 2.95Å |
| 259 | I | 95.3 | Very high | 94.5 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 9% | 0.092 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.9 | -45.5 | 176.6 | -65.8 | 167.1 | 0 | 0 | 0 | 110.7 | L243 V255 N256 E257 C261 G262 V265 L292 N295 | L243-I259 HydrophobicContact CD1-CG1 4.3Å; V255-I259 HydrophobicContact CG1-CD1 3.7Å; V255-I259 HydrophobicContact CG1-CG1 4.49Å; V255-I259 WeakPolarHBondContact O-CD1 3.34Å; V255-I259 WeakPolarHBondContact O-CG1 3.4Å; V255-I259 PolarHBondContact O-N 3.18Å; N256-I259 PolarHBondContact O-N 3.13Å; E257-I259 VanDerWaalsContact C-N 3.3Å; E257-I259 PolarHBondContact O-N 3.01Å; I259-C261 PolarHBondContact O-N 3Å; I259-G262 WeakPolarHBondContact O-CA 3.41Å; I259-G262 PolarHBondContact O-N 2.7Å; I259-V265 HydrophobicContact CD1-CG1 4.14Å; I259-V265 HydrophobicContact CG1-CG1 3.88Å; I259-V265 HydrophobicContact CG2-CG1 4.28Å; I259-L292 HydrophobicContact CD1-CD2 3.95Å; I259-N295 HydrophobicContact CG2-CB 3.8Å |
| 260 | D | 94.1 | Very high | 94.5 | Very high | 104 Ų | 104 | 45.1 Ų | 45.1 | 56% | 0.556 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.9 | -35 | 177.7 | -70.5 | -21.3 | 0 | 0 | 0 | 111.8 | N256 E257 G262 | N256-D260 PolarHBondContact ND2-OD2 2.88Å; N256-D260 VanDerWaalsContact O-CG 3.29Å; N256-D260 PolarHBondContact O-N 3.43Å; E257-D260 PolarHBondContact O-N 3.38Å; D260-G262 PolarHBondContact O-N 2.86Å |
| 261 | C | 92.6 | Very high | 94.5 | Very high | 60 Ų | 60 | 51.2 Ų | 51.2 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 6.2 | 173.6 | -64.8 | 0 | 0 | 0 | 0 | 114.3 | L226 I232 E257 L258 I259 | L226-C261 HydrophobicContact CD1-CB 4.02Å; I232-C261 HydrophobicContact CD1-CB 3.61Å; E257-C261 WeakPolarHBondContact O-CB 3.43Å; E257-C261 PolarHBondContact O-N 3.3Å; E257-C261 PolarHBondContact O-SG 3.03Å; L258-C261 PolarHBondContact O-N 2.98Å; I259-C261 PolarHBondContact O-N 3Å |
| 262 | G | 90.9 | Very high | 94.5 | Very high | 53 Ų | 53 | 48.7 Ų | 48.7 | 55% | 0.546 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | 23.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L258 I259 D260 | L258-G262 PolarHBondContact O-N 3.25Å; I259-G262 WeakPolarHBondContact O-CA 3.41Å; I259-G262 PolarHBondContact O-N 2.7Å; D260-G262 PolarHBondContact O-N 2.86Å |
| 263 | A | 93.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 7% | 0.066 | 26% | 0.259 | C | S | . | . | trans | -62.4 | 137.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I232 L243 L258 V265 | I232-A263 HydrophobicContact CD1-CB 3.83Å; I232-A263 HydrophobicContact CG1-CB 4.01Å; L243-A263 HydrophobicContact CB-CB 4.47Å; L243-A263 HydrophobicContact CD2-CB 4.02Å; L258-A263 HydrophobicContact CB-CB 4.06Å; L258-A263 WeakPolarHBondContact O-CB 3.16Å; L258-A263 PolarHBondContact O-N 2.95Å; A263-V265 PolarHBondContact O-N 3.49Å; A263-V265 VanDerWaalsContact O-N 3.11Å | ||
| 264 | N | 92.9 | Very high | 94.6 | Very high | 66 Ų | 66 | 43.3 Ų | 43.3 | 35% | 0.353 | 24% | 0.235 | S | C | . | . | trans | -74.8 | 106.2 | 179.6 | 179.5 | 1.9 | 0 | 0 | 0 | 111 | N233 N266 Q267 | N233-N264 PolarHBondContact OD1-N 2.98Å; N233-N264 VanDerWaalsContact OD1-N 3.16Å; N264-N266 PolarHBondContact O-N 3.19Å; N264-N266 PolarHBondContact OD1-N 3.14Å; N264-Q267 HydrophobicContact CB-CB 4.02Å; N264-Q267 PolarHBondContact ND2-OE1 3.46Å; N264-Q267 VanDerWaalsContact ND2-OE1 3.08Å; N264-Q267 WeakPolarHBondContact O-CB 3.44Å; N264-Q267 PolarHBondContact O-N 2.97Å; N264-Q267 PolarHBondContact OD1-N 3.08Å | ||
| 265 | V | 94.7 | Very high | 94.6 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 10% | 0.097 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.1 | -178.9 | -64.8 | 0 | 0 | 0 | 0 | 114.4 | I259 A263 P275 L292 N295 | I259-V265 HydrophobicContact CD1-CG1 4.14Å; I259-V265 HydrophobicContact CG1-CG1 3.88Å; I259-V265 HydrophobicContact CG2-CG1 4.28Å; A263-V265 PolarHBondContact O-N 3.49Å; A263-V265 VanDerWaalsContact O-N 3.11Å; V265-P275 VanDerWaalsContact O-CD 3.28Å; V265-P275 WeakPolarHBondContact O-CD 3.43Å; V265-P275 WeakPolarHBondContact O-CG 3.38Å; V265-L292 HydrophobicContact CB-CD2 4.14Å; V265-L292 HydrophobicContact CG1-CD2 4.01Å; V265-N295 HydrophobicContact CG1-CB 4.48Å |
| 266 | N | 94.4 | Very high | 94.5 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | 12.1 | -178 | -68 | -44 | 0 | 0 | 0 | 112.7 | N264 L268 G296 A297 D298 I301 | N264-N266 PolarHBondContact O-N 3.19Å; N264-N266 PolarHBondContact OD1-N 3.14Å; N266-L268 PolarHBondContact O-N 2.98Å; N266-G296 PolarHBondContact ND2-O 2.89Å; N266-G296 VanDerWaalsContact ND2-O 3.16Å; N266-A297 WeakPolarHBondContact OD1-CA 3.44Å; N266-D298 PolarHBondContact OD1-N 2.92Å; N266-I301 HydrophobicContact CB-CD1 4.29Å |
| 267 | Q | 94 | Very high | 94.6 | Very high | 69 Ų | 69 | 40.6 Ų | 40.6 | 32% | 0.322 | 22% | 0.22 | S | C | . | . | trans | -59.1 | 130 | 178.7 | -175.4 | 60.4 | 48.1 | 0 | 0 | 110.6 | T241 H244 N264 A274 P275 | T241-Q267 HydrophobicContact CG2-CB 4.48Å; T241-Q267 HydrophobicContact CG2-CG 3.8Å; H244-Q267 PolarHBondContact CE1-O 3.19Å; H244-Q267 PolarHBondContact NE2-O 3.48Å; H244-Q267 VanDerWaalsContact NE2-O 3.09Å; N264-Q267 HydrophobicContact CB-CB 4.02Å; N264-Q267 PolarHBondContact ND2-OE1 3.46Å; N264-Q267 VanDerWaalsContact ND2-OE1 3.08Å; N264-Q267 WeakPolarHBondContact O-CB 3.44Å; N264-Q267 PolarHBondContact O-N 2.97Å; N264-Q267 PolarHBondContact OD1-N 3.08Å; Q267-A274 WeakPolarHBondContact O-CA 3.39Å; Q267-P275 VanDerWaalsContact O-CD 3.32Å; Q267-P275 WeakPolarHBondContact O-CD 3.47Å | ||
| 268 | L | 95.5 | Very high | 94.5 | Very high | 75 Ų | 75 | 40.8 Ų | 40.8 | 39% | 0.393 | 22% | 0.221 | S | C | . | . | trans | -93.2 | 141 | 178 | -60.9 | -174.1 | 0 | 0 | 0 | 111.2 | N266 G272 A274 I301 | N266-L268 PolarHBondContact O-N 2.98Å; L268-G272 WeakPolarHBondContact CD2-O 3.35Å; L268-A274 HydrophobicContact CD2-CB 3.81Å; L268-I301 HydrophobicContact CD2-CD1 3.67Å; L268-I301 HydrophobicContact CD2-CG1 4.09Å | ||
| 269 | N | 95.1 | Very high | 94.4 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 6% | 0.059 | 22% | 0.221 | C | C | . | . | trans | -82.8 | -176.6 | 168.7 | 78.7 | 3.1 | 0 | 0 | 0 | 112.7 | G239 N240 K271 G272 F273 | G239-N269 VanDerWaalsContact O-CA 3.29Å; G239-N269 WeakPolarHBondContact O-CA 3.47Å; G239-N269 VanDerWaalsContact O-CB 3.3Å; G239-N269 WeakPolarHBondContact O-CB 3.43Å; N240-N269 WeakPolarHBondContact OD1-CB 3.28Å; N240-N269 PolarHBondContact OD1-ND2 3.34Å; N269-K271 PolarHBondContact O-N 3.37Å; N269-K271 VanDerWaalsContact O-N 3.08Å; N269-K271 WeakPolarHBondContact OD1-CA 3.49Å; N269-K271 PolarHBondContact OD1-N 3.5Å; N269-G272 PolarHBondContact O-N 2.95Å; N269-G272 PolarHBondContact OD1-N 3.46Å; N269-G272 VanDerWaalsContact OD1-N 3.09Å; N269-F273 PolarHBondContact N-O 3.06Å; N269-F273 PolarHBondContact OD1-N 3.1Å; N269-F273 PolarHBondContact OD1-O 3.41Å | ||
| 270 | E | 94.3 | Very high | 94.4 | Very high | 122 Ų | 122 | 39.9 Ų | 39.9 | 57% | 0.57 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.8 | -179.2 | -72 | -56 | 142 | 0 | 0 | 114 | Y238 K304 | Y238-E270 WeakPolarHBondContact O-CB 3.45Å; Y238-E270 PolarHBondContact O-N 2.99Å; E270-K304 WeakPolarHBondContact O-CD 3.46Å; E270-K304 WeakPolarHBondContact O-CE 3.44Å; E270-K304 PolarHBondContact O-NZ 3.31Å |
| 271 | K | 93.1 | Very high | 94.3 | Very high | 138 Ų | 138 | 35.4 Ų | 35.4 | 60% | 0.6 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 5.5 | 175.8 | -65.9 | -174.9 | 179.1 | -174.5 | 0 | 112.8 | N269 F273 K304 | N269-K271 PolarHBondContact O-N 3.37Å; N269-K271 VanDerWaalsContact O-N 3.08Å; N269-K271 WeakPolarHBondContact OD1-CA 3.49Å; N269-K271 PolarHBondContact OD1-N 3.5Å; K271-F273 VanDerWaalsContact C-N 3.29Å; K271-F273 HydrophobicContact CB-CD2 3.58Å; K271-F273 HydrophobicContact CB-CE2 3.74Å; K271-F273 HydrophobicContact CD-CD2 4.46Å; K271-F273 HydrophobicContact CD-CE2 4.15Å; K271-F273 PolarHBondContact O-N 2.82Å; K271-K304 VanDerWaalsContact O-CB 3.31Å; K271-K304 WeakPolarHBondContact O-CB 3.38Å; K271-K304 PolarHBondContact O-N 3.34Å |
| 272 | G | 94.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 74.9 | 12.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L268 N269 S303 | L268-G272 WeakPolarHBondContact CD2-O 3.35Å; N269-G272 PolarHBondContact O-N 2.95Å; N269-G272 PolarHBondContact OD1-N 3.46Å; N269-G272 VanDerWaalsContact OD1-N 3.09Å; G272-S303 VanDerWaalsContact O-CA 3.25Å; G272-S303 WeakPolarHBondContact O-CA 3.42Å |
| 273 | F | 96 | Very high | 94 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 11% | 0.105 | 18% | 0.181 | C | C | . | . | trans | -81.2 | 128.3 | 174.3 | -66.3 | -68.4 | 0 | 0 | 0 | 110.2 | H244 N269 K271 H277 F278 M312 | H244-F273 PolarHBondContact NE2-O 3.43Å; H244-F273 VanDerWaalsContact NE2-O 3.1Å; N269-F273 PolarHBondContact N-O 3.06Å; N269-F273 PolarHBondContact OD1-N 3.1Å; N269-F273 PolarHBondContact OD1-O 3.41Å; K271-F273 VanDerWaalsContact C-N 3.29Å; K271-F273 HydrophobicContact CB-CD2 3.58Å; K271-F273 HydrophobicContact CB-CE2 3.74Å; K271-F273 HydrophobicContact CD-CD2 4.46Å; K271-F273 HydrophobicContact CD-CE2 4.15Å; K271-F273 PolarHBondContact O-N 2.82Å; F273-H277 HydrophobicContact CB-CB 4.03Å; F273-H277 HydrophobicContact CD1-CB 3.68Å; F273-H277 AromaticContact CD1-CD2 3.69Å; F273-H277 AromaticContact CD1-CG 3.66Å; F273-H277 HydrophobicContact CG-CB 4.29Å; F273-F278 HydrophobicContact CB-CD2 4.31Å; F273-F278 HydrophobicContact CB-CE2 3.75Å; F273-M312 HydrophobicContact CD1-CE 4.09Å; F273-M312 HydrophobicContact CE1-CE 3.67Å; F273-M312 HydrophobicContact CE1-CG 4.4Å; F273-M312 HydrophobicContact CE1-SD 3.72Å; F273-M312 HydrophobicContact CZ-CE 4.12Å; F273-M312 HydrophobicContact CZ-SD 4.29Å | ||
| 274 | A | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -82.9 | 165.5 | 168 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q267 L268 L276 H277 I301 | Q267-A274 WeakPolarHBondContact O-CA 3.39Å; L268-A274 HydrophobicContact CD2-CB 3.81Å; A274-L276 PolarHBondContact O-N 3.48Å; A274-L276 VanDerWaalsContact O-N 3.17Å; A274-H277 PolarHBondContact N-ND1 3Å; A274-H277 VanDerWaalsContact N-ND1 3.11Å; A274-H277 VanDerWaalsContact O-CB 3.29Å; A274-H277 WeakPolarHBondContact O-CB 3.48Å; A274-H277 PolarHBondContact O-N 3.2Å; A274-I301 HydrophobicContact CB-CD1 3.81Å; A274-I301 HydrophobicContact CB-CG1 4.38Å; A274-I301 HydrophobicContact CB-CG2 3.98Å | ||
| 275 | P | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -52.6 | -37 | 174.5 | -27.7 | 34.6 | 0 | 0 | 0 | 113.7 | L243 H244 V265 Q267 H277 F278 T279 L292 | L243-P275 HydrophobicContact CD2-CB 4.24Å; L243-P275 HydrophobicContact CD2-CG 3.87Å; L243-P275 HydrophobicContact CG-CB 4.13Å; L243-P275 HydrophobicContact CG-CG 4.07Å; H244-P275 WeakPolarHBondContact NE2-CD 3.1Å; V265-P275 VanDerWaalsContact O-CD 3.28Å; V265-P275 WeakPolarHBondContact O-CD 3.43Å; V265-P275 WeakPolarHBondContact O-CG 3.38Å; Q267-P275 VanDerWaalsContact O-CD 3.32Å; Q267-P275 WeakPolarHBondContact O-CD 3.47Å; P275-H277 PolarHBondContact O-N 2.72Å; P275-F278 WeakPolarHBondContact O-CA 3.4Å; P275-F278 WeakPolarHBondContact O-CB 3.48Å; P275-F278 PolarHBondContact O-N 3.22Å; P275-T279 PolarHBondContact O-N 3.26Å; P275-L292 HydrophobicContact CB-CD1 4.02Å; P275-L292 HydrophobicContact CB-CD2 4.28Å |
| 276 | L | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -28.4 | 177 | -169.8 | 63.4 | 0 | 0 | 0 | 112.9 | A274 F278 T279 A280 L289 L292 V293 A297 D298 V299 P309 | A274-L276 PolarHBondContact O-N 3.48Å; A274-L276 VanDerWaalsContact O-N 3.17Å; L276-F278 VanDerWaalsContact C-N 3.31Å; L276-T279 PolarHBondContact O-OG1 3.2Å; L276-A280 WeakPolarHBondContact O-CB 3.29Å; L276-A280 PolarHBondContact O-N 3.21Å; L276-L289 HydrophobicContact CD1-CG 3.99Å; L276-L292 HydrophobicContact CB-CD1 4.27Å; L276-L292 HydrophobicContact CD1-CB 4.24Å; L276-L292 HydrophobicContact CD1-CD1 4.2Å; L276-V293 HydrophobicContact CD1-CG2 4.07Å; L276-A297 HydrophobicContact CD2-CB 4.19Å; L276-D298 WeakPolarHBondContact CD2-O 3.45Å; L276-V299 HydrophobicContact CD2-CG1 4.28Å; L276-P309 HydrophobicContact CB-CG 4.35Å; L276-P309 HydrophobicContact CD2-CB 4.36Å; L276-P309 HydrophobicContact CD2-CG 3.87Å; L276-P309 HydrophobicContact CG-CB 4.13Å; L276-P309 HydrophobicContact CG-CG 3.92Å |
| 277 | H | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.4 | -27 | 172.7 | -69.4 | 98.9 | 0 | 0 | 0 | 113.2 | F273 A274 P275 A280 I301 K307 M312 | F273-H277 HydrophobicContact CB-CB 4.03Å; F273-H277 HydrophobicContact CD1-CB 3.68Å; F273-H277 AromaticContact CD1-CD2 3.69Å; F273-H277 AromaticContact CD1-CG 3.66Å; F273-H277 HydrophobicContact CG-CB 4.29Å; A274-H277 PolarHBondContact N-ND1 3Å; A274-H277 VanDerWaalsContact N-ND1 3.11Å; A274-H277 VanDerWaalsContact O-CB 3.29Å; A274-H277 WeakPolarHBondContact O-CB 3.48Å; A274-H277 PolarHBondContact O-N 3.2Å; P275-H277 PolarHBondContact O-N 2.72Å; H277-A280 CarbonylContact O-C 3.58Å; H277-A280 VanDerWaalsContact O-C 3.23Å; H277-A280 WeakPolarHBondContact O-CB 3.32Å; H277-I301 PolarHBondContact CE1-O 3.07Å; H277-I301 PolarHBondContact NE2-O 3.37Å; H277-K307 PolarHBondContact NE2-O 3.18Å; H277-M312 HydrophobicContact CB-CG 4.31Å |
| 278 | F | 94.6 | Very high | 92.6 | Very high | 40 Ų | 40 | 42.4 Ų | 42.4 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -86.6 | -26.3 | 177.7 | -77.7 | -97.9 | 0 | 0 | 0 | 112.8 | N240 H244 C247 Y248 F273 P275 L276 A280 S282 | N240-F278 VanDerWaalsContact OD1-CZ 3.24Å; N240-F278 WeakPolarHBondContact OD1-CZ 3.3Å; H244-F278 HydrophobicContact CB-CD2 4.42Å; H244-F278 HydrophobicContact CB-CE2 4.47Å; H244-F278 AromaticContact CD2-CD2 3.66Å; H244-F278 AromaticContact CD2-CE2 3.6Å; C247-F278 HydrophobicContact CB-CB 4.23Å; Y248-F278 AromaticContact CD2-CD1 3.7Å; Y248-F278 HydrophobicContact CD2-CD1 3.7Å; Y248-F278 HydrophobicContact CD2-CE1 4.49Å; Y248-F278 AromaticContact CG-CD1 3.99Å; Y248-F278 HydrophobicContact CG-CD1 3.99Å; F273-F278 HydrophobicContact CB-CD2 4.31Å; F273-F278 HydrophobicContact CB-CE2 3.75Å; P275-F278 WeakPolarHBondContact O-CA 3.4Å; P275-F278 WeakPolarHBondContact O-CB 3.48Å; P275-F278 PolarHBondContact O-N 3.22Å; L276-F278 VanDerWaalsContact C-N 3.31Å; F278-A280 CarbonylContact C-O 3.57Å; F278-S282 VanDerWaalsContact O-CB 3.23Å; F278-S282 WeakPolarHBondContact O-CB 3.46Å; F278-S282 PolarHBondContact O-N 2.87Å |
| 279 | T | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -75.4 | -39.8 | 165.9 | 63.9 | 0 | 0 | 0 | 0 | 110.7 | C247 P275 L276 S282 C288 L292 R321 | C247-T279 HydrophobicContact CB-CG2 3.44Å; C247-T279 VanDerWaalsContact CB-CG2 3.44Å; P275-T279 PolarHBondContact O-N 3.26Å; L276-T279 PolarHBondContact O-OG1 3.2Å; T279-S282 PolarHBondContact O-N 2.8Å; T279-C288 HydrophobicContact CG2-CB 3.56Å; T279-L292 HydrophobicContact CG2-CD1 3.53Å; T279-R321 PolarHBondContact O-NE 2.85Å; T279-R321 PolarHBondContact O-NH1 2.94Å |
| 280 | A | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | 157.5 | 145 | 0 | 0 | 0 | 0 | 0 | 109.9 | L276 H277 F278 S282 P309 M312 T313 | L276-A280 WeakPolarHBondContact O-CB 3.29Å; L276-A280 PolarHBondContact O-N 3.21Å; H277-A280 CarbonylContact O-C 3.58Å; H277-A280 VanDerWaalsContact O-C 3.23Å; H277-A280 WeakPolarHBondContact O-CB 3.32Å; F278-A280 CarbonylContact C-O 3.57Å; A280-S282 PolarHBondContact O-N 3.22Å; A280-P309 HydrophobicContact CB-CB 4.06Å; A280-P309 VanDerWaalsContact CB-O 3.31Å; A280-P309 WeakPolarHBondContact CB-O 3.48Å; A280-M312 HydrophobicContact CB-CB 3.6Å; A280-T313 HydrophobicContact CB-CG2 4.05Å |
| 281 | A | 93.2 | Very high | 92.4 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | -48.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | M312 H316 R318 | A281-M312 HydrophobicContact CB-CE 4.4Å; A281-H316 WeakPolarHBondContact CA-CD2 3.45Å; A281-H316 WeakPolarHBondContact CB-CD2 3.4Å; A281-H316 WeakPolarHBondContact CB-NE2 3.5Å; A281-R318 PolarHBondContact O-NE 3.1Å; A281-R318 PolarHBondContact O-NH2 3.4Å |
| 282 | S | 92.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 33 Ų | 33 | 4% | 0.035 | 16% | 0.16 | C | C | . | . | trans | -53.6 | 152.1 | -176.5 | -179.5 | 0 | 0 | 0 | 0 | 112.8 | Y248 F278 T279 A280 H284 G285 R318 | Y248-S282 VanDerWaalsContact O-CB 3.24Å; Y248-S282 WeakPolarHBondContact O-CB 3.37Å; Y248-S282 PolarHBondContact O-OG 3.46Å; F278-S282 VanDerWaalsContact O-CB 3.23Å; F278-S282 WeakPolarHBondContact O-CB 3.46Å; F278-S282 PolarHBondContact O-N 2.87Å; T279-S282 PolarHBondContact O-N 2.8Å; A280-S282 PolarHBondContact O-N 3.22Å; S282-H284 PolarHBondContact OG-N 3.36Å; S282-G285 PolarHBondContact OG-N 2.73Å; S282-R318 PolarHBondContact O-NE 3.15Å | ||
| 283 | R | 85.6 | Confident | 92.4 | Very high | 174 Ų | 174 | 34 Ų | 34 | 66% | 0.657 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -79.8 | -38.1 | 175.8 | -175.3 | 59.4 | 57.1 | 111.7 | 5.5 | 112.6 | R318 | R283-R318 VanDerWaalsContact NE-CZ 3.31Å; R283-R318 VanDerWaalsContact NE-NH2 3.14Å |
| 284 | H | 83.6 | Confident | 92.2 | Very high | 146 Ų | 146 | 38.1 Ų | 38.1 | 68% | 0.676 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -117.3 | -0.4 | -171 | -60.2 | -66.5 | 0 | 0 | 0 | 113.7 | S282 A286 | S282-H284 PolarHBondContact OG-N 3.36Å; H284-A286 VanDerWaalsContact C-N 3.26Å; H284-A286 PolarHBondContact O-N 2.89Å |
| 285 | G | 83.1 | Confident | 92.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 33.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | S282 L289 | S282-G285 PolarHBondContact OG-N 2.73Å; G285-L289 PolarHBondContact O-N 2.87Å; G285-L289 VanDerWaalsContact O-N 3.14Å |
| 286 | A | 88.9 | Confident | 91.8 | Very high | 46 Ų | 46 | 44 Ų | 44 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.6 | -51 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | H284 C288 L289 E290 R321 | H284-A286 VanDerWaalsContact C-N 3.26Å; H284-A286 PolarHBondContact O-N 2.89Å; A286-C288 VanDerWaalsContact C-N 3.32Å; A286-C288 PolarHBondContact O-N 3.48Å; A286-L289 WeakPolarHBondContact O-CB 3.42Å; A286-L289 PolarHBondContact O-N 3.47Å; A286-L289 VanDerWaalsContact O-N 3.15Å; A286-E290 PolarHBondContact O-N 2.85Å; A286-R321 HydrophobicContact CB-CG 4.34Å |
| 287 | L | 91.1 | Very high | 91.7 | Very high | 97 Ų | 97 | 44.3 Ų | 44.3 | 51% | 0.508 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 174.1 | -72.8 | 156.8 | 0 | 0 | 0 | 111.9 | D252 L289 E290 L291 | D252-L287 HydrophobicContact CB-CB 3.89Å; L287-L289 PolarHBondContact O-N 3.01Å; L287-E290 PolarHBondContact O-N 3.07Å; L287-L291 WeakPolarHBondContact O-CG 3.36Å; L287-L291 PolarHBondContact O-N 3.12Å |
| 288 | C | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -34.3 | 176.7 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | G250 D252 V255 T279 A286 L292 | G250-C288 VanDerWaalsContact C-SG 3.51Å; D252-C288 VanDerWaalsContact CA-SG 3.55Å; D252-C288 PolarHBondContact N-SG 3.33Å; V255-C288 HydrophobicContact CG2-CB 4.39Å; T279-C288 HydrophobicContact CG2-CB 3.56Å; A286-C288 VanDerWaalsContact C-N 3.32Å; A286-C288 PolarHBondContact O-N 3.48Å; C288-L292 WeakPolarHBondContact O-CB 3.35Å; C288-L292 VanDerWaalsContact O-CG 3.27Å; C288-L292 WeakPolarHBondContact O-CG 3.28Å; C288-L292 PolarHBondContact O-N 2.86Å |
| 289 | L | 93.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.7 | -46.5 | 176.4 | 177.8 | 155 | 0 | 0 | 0 | 111.2 | L276 G285 A286 L287 L291 L292 V293 R321 A324 I325 | L276-L289 HydrophobicContact CD1-CG 3.99Å; G285-L289 PolarHBondContact O-N 2.87Å; G285-L289 VanDerWaalsContact O-N 3.14Å; A286-L289 WeakPolarHBondContact O-CB 3.42Å; A286-L289 PolarHBondContact O-N 3.47Å; A286-L289 VanDerWaalsContact O-N 3.15Å; L287-L289 PolarHBondContact O-N 3.01Å; L289-L291 VanDerWaalsContact C-N 3.35Å; L289-L291 PolarHBondContact O-N 3.47Å; L289-L292 PolarHBondContact O-N 2.93Å; L289-V293 HydrophobicContact CD2-CG2 4.31Å; L289-V293 VanDerWaalsContact O-CG2 3.31Å; L289-V293 WeakPolarHBondContact O-CG2 3.25Å; L289-V293 PolarHBondContact O-N 3.31Å; L289-R321 HydrophobicContact CD1-CB 3.85Å; L289-R321 HydrophobicContact CD1-CG 4.3Å; L289-A324 HydrophobicContact CD2-CB 3.9Å; L289-I325 HydrophobicContact CD1-CD1 3.61Å; L289-I325 HydrophobicContact CD1-CG1 3.78Å; L289-I325 HydrophobicContact CD2-CG1 4.33Å; L289-I325 HydrophobicContact CG-CG1 4.37Å |
| 290 | E | 92.4 | Very high | 91.8 | Very high | 106 Ų | 106 | 48.5 Ų | 48.5 | 50% | 0.495 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 176.1 | -67.9 | 172 | -166.5 | 0 | 0 | 111 | A286 L287 L292 V293 C294 | A286-E290 PolarHBondContact O-N 2.85Å; L287-E290 PolarHBondContact O-N 3.07Å; E290-L292 PolarHBondContact O-N 3.11Å; E290-V293 PolarHBondContact O-N 3.17Å; E290-C294 WeakPolarHBondContact O-CB 3.44Å; E290-C294 PolarHBondContact O-N 3.48Å; E290-C294 PolarHBondContact O-SG 3.32Å |
| 291 | L | 93.8 | Very high | 91.8 | Very high | 42 Ų | 42 | 49.5 Ų | 49.5 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 176.8 | -71.3 | 173.6 | 0 | 0 | 0 | 112.5 | D252 V255 N256 L287 L289 N295 | D252-L291 HydrophobicContact CB-CD1 4.03Å; D252-L291 WeakPolarHBondContact O-CD1 3.39Å; V255-L291 HydrophobicContact CG1-CB 4.43Å; V255-L291 HydrophobicContact CG1-CD1 4.46Å; N256-L291 HydrophobicContact CB-CD1 4.15Å; L287-L291 WeakPolarHBondContact O-CG 3.36Å; L287-L291 PolarHBondContact O-N 3.12Å; L289-L291 VanDerWaalsContact C-N 3.35Å; L289-L291 PolarHBondContact O-N 3.47Å; L291-N295 WeakPolarHBondContact O-CB 3.32Å; L291-N295 PolarHBondContact O-N 2.93Å; L291-N295 PolarHBondContact O-ND2 3.33Å |
| 292 | L | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 178 | -76.7 | 175.4 | 0 | 0 | 0 | 111.8 | L243 I259 V265 P275 L276 T279 C288 L289 E290 N295 G296 A297 | L243-L292 HydrophobicContact CD2-CD2 4.36Å; I259-L292 HydrophobicContact CD1-CD2 3.95Å; V265-L292 HydrophobicContact CB-CD2 4.14Å; V265-L292 HydrophobicContact CG1-CD2 4.01Å; P275-L292 HydrophobicContact CB-CD1 4.02Å; P275-L292 HydrophobicContact CB-CD2 4.28Å; L276-L292 HydrophobicContact CB-CD1 4.27Å; L276-L292 HydrophobicContact CD1-CB 4.24Å; L276-L292 HydrophobicContact CD1-CD1 4.2Å; T279-L292 HydrophobicContact CG2-CD1 3.53Å; C288-L292 WeakPolarHBondContact O-CB 3.35Å; C288-L292 VanDerWaalsContact O-CG 3.27Å; C288-L292 WeakPolarHBondContact O-CG 3.28Å; C288-L292 PolarHBondContact O-N 2.86Å; L289-L292 PolarHBondContact O-N 2.93Å; E290-L292 PolarHBondContact O-N 3.11Å; L292-N295 CarbonylContact O-C 3.45Å; L292-N295 PolarHBondContact O-N 3.35Å; L292-G296 PolarHBondContact O-N 3.5Å; L292-A297 VanDerWaalsContact C-CB 3.49Å; L292-A297 HydrophobicContact CB-CB 3.83Å; L292-A297 WeakPolarHBondContact O-CB 3.22Å; L292-A297 PolarHBondContact O-N 3.48Å |
| 293 | V | 93.4 | Very high | 92.1 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.4 | -43.2 | -178.7 | 174.7 | 0 | 0 | 0 | 0 | 111 | L276 L289 E290 N295 G296 V299 N328 | L276-V293 HydrophobicContact CD1-CG2 4.07Å; L289-V293 HydrophobicContact CD2-CG2 4.31Å; L289-V293 VanDerWaalsContact O-CG2 3.31Å; L289-V293 WeakPolarHBondContact O-CG2 3.25Å; L289-V293 PolarHBondContact O-N 3.31Å; E290-V293 PolarHBondContact O-N 3.17Å; V293-N295 PolarHBondContact O-N 2.91Å; V293-G296 PolarHBondContact O-N 3.49Å; V293-G296 VanDerWaalsContact O-N 3.09Å; V293-V299 HydrophobicContact CG1-CG1 4.39Å; V293-V299 HydrophobicContact CG2-CG1 4Å; V293-N328 HydrophobicContact CG1-CB 3.84Å; V293-N328 WeakPolarHBondContact CG1-OD1 3.46Å |
| 294 | C | 91.8 | Very high | 92.5 | Very high | 111 Ų | 111 | 50.9 Ų | 50.9 | 75% | 0.75 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.1 | -27 | 174.7 | -72.5 | 0 | 0 | 0 | 0 | 113.2 | E290 | E290-C294 WeakPolarHBondContact O-CB 3.44Å; E290-C294 PolarHBondContact O-N 3.48Å; E290-C294 PolarHBondContact O-SG 3.32Å |
| 295 | N | 93.2 | Very high | 93 | Very high | 71 Ų | 71 | 47.5 Ų | 47.5 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 24.2 | 177.9 | -72.8 | -78.5 | 0 | 0 | 0 | 113.3 | I259 V265 L291 L292 V293 | I259-N295 HydrophobicContact CG2-CB 3.8Å; V265-N295 HydrophobicContact CG1-CB 4.48Å; L291-N295 WeakPolarHBondContact O-CB 3.32Å; L291-N295 PolarHBondContact O-N 2.93Å; L291-N295 PolarHBondContact O-ND2 3.33Å; L292-N295 CarbonylContact O-C 3.45Å; L292-N295 PolarHBondContact O-N 3.35Å; V293-N295 PolarHBondContact O-N 2.91Å |
| 296 | G | 90.6 | Very high | 93.5 | Very high | 52 Ų | 52 | 48 Ų | 48 | 54% | 0.536 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | 24.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N266 L292 V293 D298 | N266-G296 PolarHBondContact ND2-O 2.89Å; N266-G296 VanDerWaalsContact ND2-O 3.16Å; L292-G296 PolarHBondContact O-N 3.5Å; V293-G296 PolarHBondContact O-N 3.49Å; V293-G296 VanDerWaalsContact O-N 3.09Å; G296-D298 PolarHBondContact O-N 2.91Å |
| 297 | A | 94.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | trans | -66.2 | 131.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N266 L276 L292 V299 | N266-A297 WeakPolarHBondContact OD1-CA 3.44Å; L276-A297 HydrophobicContact CD2-CB 4.19Å; L292-A297 VanDerWaalsContact C-CB 3.49Å; L292-A297 HydrophobicContact CB-CB 3.83Å; L292-A297 WeakPolarHBondContact O-CB 3.22Å; L292-A297 PolarHBondContact O-N 3.48Å; A297-V299 PolarHBondContact O-N 2.91Å | ||
| 298 | D | 94.4 | Very high | 94.1 | Very high | 77 Ų | 77 | 43.6 Ų | 43.6 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | trans | -74.2 | 113.8 | 177.8 | 177.2 | 6.7 | 0 | 0 | 0 | 110.4 | N266 L276 G296 N300 I301 | N266-D298 PolarHBondContact OD1-N 2.92Å; L276-D298 WeakPolarHBondContact CD2-O 3.45Å; G296-D298 PolarHBondContact O-N 2.91Å; D298-N300 VanDerWaalsContact C-N 3.25Å; D298-N300 PolarHBondContact O-N 3.42Å; D298-N300 PolarHBondContact OD1-N 3.12Å; D298-I301 HydrophobicContact CB-CB 4.14Å; D298-I301 WeakPolarHBondContact O-CB 3.4Å; D298-I301 WeakPolarHBondContact O-CG2 3.23Å; D298-I301 PolarHBondContact O-N 3.46Å | ||
| 299 | V | 95.1 | Very high | 94.2 | Very high | 14 Ų | 14 | 43.6 Ų | 43.6 | 9% | 0.085 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -21 | -179.3 | -64.5 | 0 | 0 | 0 | 0 | 113.8 | L276 V293 A297 P309 N328 A330 | L276-V299 HydrophobicContact CD2-CG1 4.28Å; V293-V299 HydrophobicContact CG1-CG1 4.39Å; V293-V299 HydrophobicContact CG2-CG1 4Å; A297-V299 PolarHBondContact O-N 2.91Å; V299-P309 WeakPolarHBondContact O-CD 3.24Å; V299-N328 HydrophobicContact CG1-CB 4.21Å; V299-A330 HydrophobicContact CG2-CB 4.47Å |
| 300 | N | 95 | Very high | 94.3 | Very high | 37 Ų | 37 | 43.5 Ų | 43.5 | 20% | 0.198 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 9 | -177.2 | -67.5 | -46.3 | 0 | 0 | 0 | 113 | D298 K302 G329 A330 E331 | D298-N300 VanDerWaalsContact C-N 3.25Å; D298-N300 PolarHBondContact O-N 3.42Å; D298-N300 PolarHBondContact OD1-N 3.12Å; N300-K302 PolarHBondContact O-N 3.48Å; N300-G329 PolarHBondContact ND2-O 3.3Å; N300-A330 WeakPolarHBondContact OD1-CA 3.49Å; N300-E331 PolarHBondContact OD1-N 3.14Å |
| 301 | I | 95 | Very high | 94.5 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 11% | 0.108 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -57.1 | 127.9 | 179.1 | -167.5 | 156.5 | 0 | 0 | 0 | 111.1 | N266 L268 A274 H277 D298 P309 | N266-I301 HydrophobicContact CB-CD1 4.29Å; L268-I301 HydrophobicContact CD2-CD1 3.67Å; L268-I301 HydrophobicContact CD2-CG1 4.09Å; A274-I301 HydrophobicContact CB-CD1 3.81Å; A274-I301 HydrophobicContact CB-CG1 4.38Å; A274-I301 HydrophobicContact CB-CG2 3.98Å; H277-I301 PolarHBondContact CE1-O 3.07Å; H277-I301 PolarHBondContact NE2-O 3.37Å; D298-I301 HydrophobicContact CB-CB 4.14Å; D298-I301 WeakPolarHBondContact O-CB 3.4Å; D298-I301 WeakPolarHBondContact O-CG2 3.23Å; D298-I301 PolarHBondContact O-N 3.46Å; I301-P309 HydrophobicContact CG2-CG 4.08Å; I301-P309 VanDerWaalsContact O-CD 3.32Å; I301-P309 WeakPolarHBondContact O-CD 3.33Å |
| 302 | K | 95.2 | Very high | 94.6 | Very high | 94 Ų | 94 | 37.6 Ų | 37.6 | 41% | 0.409 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -101.5 | 136.4 | -176.9 | -69 | -174.1 | -178.2 | -169.6 | 0 | 111.3 | N300 T308 S334 | N300-K302 PolarHBondContact O-N 3.48Å; K302-T308 HydrophobicContact CG-CG2 3.83Å; K302-S334 WeakPolarHBondContact CE-OG 3.34Å; K302-S334 PolarHBondContact NZ-OG 2.98Å |
| 303 | S | 95.8 | Very high | 94.6 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 173.8 | 170.7 | 83.4 | 0 | 0 | 0 | 0 | 112.5 | G272 D305 G306 K307 | G272-S303 VanDerWaalsContact O-CA 3.25Å; G272-S303 WeakPolarHBondContact O-CA 3.42Å; S303-D305 PolarHBondContact O-N 2.99Å; S303-D305 VanDerWaalsContact O-N 3.12Å; S303-D305 PolarHBondContact OG-N 3.21Å; S303-D305 VanDerWaalsContact OG-N 3.1Å; S303-G306 WeakPolarHBondContact O-CA 3.39Å; S303-G306 PolarHBondContact O-N 3.35Å; S303-K307 PolarHBondContact N-O 3.21Å; S303-K307 PolarHBondContact OG-N 2.98Å |
| 304 | K | 94.1 | Very high | 94.7 | Very high | 114 Ų | 114 | 36.6 Ų | 36.6 | 50% | 0.496 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -21.7 | 171.5 | -71.1 | -176.8 | -177.9 | 177.1 | 0 | 111.8 | E270 K271 G306 K337 | E270-K304 WeakPolarHBondContact O-CD 3.46Å; E270-K304 WeakPolarHBondContact O-CE 3.44Å; E270-K304 PolarHBondContact O-NZ 3.31Å; K271-K304 VanDerWaalsContact O-CB 3.31Å; K271-K304 WeakPolarHBondContact O-CB 3.38Å; K271-K304 PolarHBondContact O-N 3.34Å; K304-G306 VanDerWaalsContact C-N 3.3Å; K304-K337 WeakPolarHBondContact O-CD 3.41Å; K304-K337 WeakPolarHBondContact O-CE 3.4Å; K304-K337 PolarHBondContact O-NZ 2.88Å |
| 305 | D | 93.5 | Very high | 94.8 | Very high | 75 Ų | 75 | 32.8 Ų | 32.8 | 40% | 0.401 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 6.1 | 174.4 | -64.4 | -29.8 | 0 | 0 | 0 | 113.1 | S303 K307 K337 | S303-D305 PolarHBondContact O-N 2.99Å; S303-D305 VanDerWaalsContact O-N 3.12Å; S303-D305 PolarHBondContact OG-N 3.21Å; S303-D305 VanDerWaalsContact OG-N 3.1Å; D305-K307 HydrophobicContact CB-CD 4.35Å; D305-K307 HydrophobicContact CB-CG 4.26Å; D305-K307 PolarHBondContact O-N 3.2Å; D305-K337 WeakPolarHBondContact O-CB 3.33Å; D305-K337 WeakPolarHBondContact O-CG 3.49Å; D305-K337 PolarHBondContact O-N 3.46Å |
| 306 | G | 94.3 | Very high | 94.8 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 11% | 0.113 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 75.3 | 3.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S303 K304 | S303-G306 WeakPolarHBondContact O-CA 3.39Å; S303-G306 PolarHBondContact O-N 3.35Å; K304-G306 VanDerWaalsContact C-N 3.3Å |
| 307 | K | 95.8 | Very high | 94.8 | Very high | 48 Ų | 48 | 31.9 Ų | 31.9 | 21% | 0.209 | 17% | 0.165 | C | C | . | . | trans | -76.8 | 132.5 | -177.6 | -66.6 | 176.9 | 178.5 | 167.6 | 0 | 110.4 | H277 S303 D305 H311 I315 D336 | H277-K307 PolarHBondContact NE2-O 3.18Å; S303-K307 PolarHBondContact N-O 3.21Å; S303-K307 PolarHBondContact OG-N 2.98Å; D305-K307 HydrophobicContact CB-CD 4.35Å; D305-K307 HydrophobicContact CB-CG 4.26Å; D305-K307 PolarHBondContact O-N 3.2Å; K307-H311 HydrophobicContact CB-CB 4.02Å; K307-H311 HydrophobicContact CG-CB 4.3Å; K307-I315 HydrophobicContact CD-CD1 4.42Å; K307-D336 HydrophobicContact CG-CB 4.07Å | ||
| 308 | T | 96.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | trans | -90 | 168.5 | 170.8 | 66.3 | 0 | 0 | 0 | 0 | 111.5 | K302 L310 H311 M312 | K302-T308 HydrophobicContact CG-CG2 3.83Å; T308-L310 PolarHBondContact O-N 3.29Å; T308-L310 PolarHBondContact OG1-N 2.96Å; T308-H311 PolarHBondContact N-ND1 3.09Å; T308-H311 VanDerWaalsContact N-ND1 3.1Å; T308-H311 WeakPolarHBondContact O-CB 3.38Å; T308-H311 PolarHBondContact O-N 3.21Å; T308-H311 PolarHBondContact OG1-N 2.9Å; T308-H311 PolarHBondContact OG1-ND1 3.49Å; T308-M312 PolarHBondContact O-N 2.84Å | ||
| 309 | P | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.4 | -33.7 | 170.2 | -28.8 | 35.8 | 0 | 0 | 0 | 113.5 | L276 A280 V299 I301 M312 T313 I325 | L276-P309 HydrophobicContact CB-CG 4.35Å; L276-P309 HydrophobicContact CD2-CB 4.36Å; L276-P309 HydrophobicContact CD2-CG 3.87Å; L276-P309 HydrophobicContact CG-CB 4.13Å; L276-P309 HydrophobicContact CG-CG 3.92Å; A280-P309 HydrophobicContact CB-CB 4.06Å; A280-P309 VanDerWaalsContact CB-O 3.31Å; A280-P309 WeakPolarHBondContact CB-O 3.48Å; V299-P309 WeakPolarHBondContact O-CD 3.24Å; I301-P309 HydrophobicContact CG2-CG 4.08Å; I301-P309 VanDerWaalsContact O-CD 3.32Å; I301-P309 WeakPolarHBondContact O-CD 3.33Å; P309-M312 WeakPolarHBondContact O-CB 3.5Å; P309-M312 PolarHBondContact O-N 3.24Å; P309-M312 VanDerWaalsContact O-N 3.16Å; P309-T313 VanDerWaalsContact O-CG2 3.23Å; P309-T313 WeakPolarHBondContact O-CG2 3.21Å; P309-T313 PolarHBondContact O-N 2.82Å; P309-I325 HydrophobicContact CB-CD1 4.01Å |
| 310 | L | 96.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.1 | -33.9 | 175.8 | -168.6 | 61 | 0 | 0 | 0 | 112.5 | T308 M312 T313 A314 I325 I326 P342 L358 | T308-L310 PolarHBondContact O-N 3.29Å; T308-L310 PolarHBondContact OG1-N 2.96Å; L310-M312 VanDerWaalsContact C-N 3.33Å; L310-M312 PolarHBondContact O-N 2.96Å; L310-T313 PolarHBondContact O-N 3.37Å; L310-T313 PolarHBondContact O-OG1 2.91Å; L310-A314 WeakPolarHBondContact O-CB 3.12Å; L310-A314 PolarHBondContact O-N 3.43Å; L310-I325 HydrophobicContact CB-CG2 4.25Å; L310-I325 HydrophobicContact CD1-CG2 4.33Å; L310-I326 HydrophobicContact CD1-CD1 4.18Å; L310-I326 HydrophobicContact CD1-CG1 4.04Å; L310-I326 HydrophobicContact CD2-CG1 4.18Å; L310-P342 HydrophobicContact CB-CG 4.17Å; L310-P342 HydrophobicContact CD2-CB 4.28Å; L310-P342 HydrophobicContact CD2-CG 3.92Å; L310-P342 HydrophobicContact CG-CB 3.94Å; L310-P342 HydrophobicContact CG-CG 3.84Å; L310-L358 HydrophobicContact CD2-CD2 4.26Å |
| 311 | H | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -40.4 | 170 | -68.6 | 87.6 | 0 | 0 | 0 | 111.3 | K307 T308 T313 A314 I315 S334 N340 P342 I345 | K307-H311 HydrophobicContact CB-CB 4.02Å; K307-H311 HydrophobicContact CG-CB 4.3Å; T308-H311 PolarHBondContact N-ND1 3.09Å; T308-H311 VanDerWaalsContact N-ND1 3.1Å; T308-H311 WeakPolarHBondContact O-CB 3.38Å; T308-H311 PolarHBondContact O-N 3.21Å; T308-H311 PolarHBondContact OG1-N 2.9Å; T308-H311 PolarHBondContact OG1-ND1 3.49Å; H311-T313 VanDerWaalsContact C-N 3.33Å; H311-T313 PolarHBondContact O-N 3.48Å; H311-A314 CarbonylContact O-C 3.56Å; H311-A314 WeakPolarHBondContact O-CA 2.81Å; H311-A314 WeakPolarHBondContact O-CB 3.07Å; H311-A314 PolarHBondContact O-N 3.37Å; H311-A314 VanDerWaalsContact O-N 3.14Å; H311-I315 WeakPolarHBondContact O-CG1 3.46Å; H311-I315 PolarHBondContact O-N 2.91Å; H311-S334 PolarHBondContact CE1-O 2.98Å; H311-S334 PolarHBondContact NE2-O 3.49Å; H311-N340 PolarHBondContact NE2-O 3.14Å; H311-P342 WeakPolarHBondContact NE2-CD 3.39Å; H311-I345 HydrophobicContact CB-CD1 3.95Å |
| 312 | M | 95.4 | Very high | 93.8 | Very high | 24 Ų | 24 | 35 Ų | 35 | 12% | 0.118 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.1 | -32.8 | 179.1 | -62.9 | -64.8 | -88.3 | 0 | 0 | 111.9 | F273 H277 A280 A281 T308 P309 L310 A314 I315 H316 | F273-M312 HydrophobicContact CD1-CE 4.09Å; F273-M312 HydrophobicContact CE1-CE 3.67Å; F273-M312 HydrophobicContact CE1-CG 4.4Å; F273-M312 HydrophobicContact CE1-SD 3.72Å; F273-M312 HydrophobicContact CZ-CE 4.12Å; F273-M312 HydrophobicContact CZ-SD 4.29Å; H277-M312 HydrophobicContact CB-CG 4.31Å; A280-M312 HydrophobicContact CB-CB 3.6Å; A281-M312 HydrophobicContact CB-CE 4.4Å; T308-M312 PolarHBondContact O-N 2.84Å; P309-M312 WeakPolarHBondContact O-CB 3.5Å; P309-M312 PolarHBondContact O-N 3.24Å; P309-M312 VanDerWaalsContact O-N 3.16Å; L310-M312 VanDerWaalsContact C-N 3.33Å; L310-M312 PolarHBondContact O-N 2.96Å; M312-A314 VanDerWaalsContact C-N 3.33Å; M312-I315 HydrophobicContact SD-CD1 3.98Å; M312-H316 PolarHBondContact O-CD2 3.35Å; M312-H316 PolarHBondContact O-N 3.27Å |
| 313 | T | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68 | -36.3 | 171.3 | 73 | 0 | 0 | 0 | 0 | 111.4 | A280 P309 L310 H311 H316 G317 R318 S322 I325 | A280-T313 HydrophobicContact CB-CG2 4.05Å; P309-T313 VanDerWaalsContact O-CG2 3.23Å; P309-T313 WeakPolarHBondContact O-CG2 3.21Å; P309-T313 PolarHBondContact O-N 2.82Å; L310-T313 PolarHBondContact O-N 3.37Å; L310-T313 PolarHBondContact O-OG1 2.91Å; H311-T313 VanDerWaalsContact C-N 3.33Å; H311-T313 PolarHBondContact O-N 3.48Å; T313-H316 PolarHBondContact O-N 3.13Å; T313-G317 PolarHBondContact O-N 3.45Å; T313-R318 PolarHBondContact O-N 3.31Å; T313-S322 WeakPolarHBondContact CB-OG 3.44Å; T313-S322 PolarHBondContact OG1-OG 3.46Å; T313-I325 HydrophobicContact CG2-CD1 3.6Å |
| 314 | A | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.7 | -34.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L310 H311 M312 H316 P342 I345 A346 H351 L354 | L310-A314 WeakPolarHBondContact O-CB 3.12Å; L310-A314 PolarHBondContact O-N 3.43Å; H311-A314 CarbonylContact O-C 3.56Å; H311-A314 WeakPolarHBondContact O-CA 2.81Å; H311-A314 WeakPolarHBondContact O-CB 3.07Å; H311-A314 PolarHBondContact O-N 3.37Å; H311-A314 VanDerWaalsContact O-N 3.14Å; M312-A314 VanDerWaalsContact C-N 3.33Å; A314-H316 VanDerWaalsContact C-N 3.3Å; A314-H316 PolarHBondContact O-N 3.26Å; A314-P342 HydrophobicContact CB-CB 4.26Å; A314-P342 VanDerWaalsContact CB-O 3.32Å; A314-P342 WeakPolarHBondContact CB-O 3.47Å; A314-I345 HydrophobicContact CB-CB 3.98Å; A314-I345 HydrophobicContact CB-CG2 3.76Å; A314-A346 HydrophobicContact CB-CB 4.23Å; A314-H351 PolarHBondContact O-CD2 3.35Å; A314-H351 PolarHBondContact O-NE2 2.89Å; A314-L354 HydrophobicContact CB-CD2 3.78Å |
| 315 | I | 94.9 | Very high | 93.4 | Very high | 31 Ų | 31 | 29 Ų | 29 | 16% | 0.159 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 173.7 | -66.4 | 169.4 | 0 | 0 | 0 | 110.4 | K307 H311 M312 I345 Y349 H351 | K307-I315 HydrophobicContact CD-CD1 4.42Å; H311-I315 WeakPolarHBondContact O-CG1 3.46Å; H311-I315 PolarHBondContact O-N 2.91Å; M312-I315 HydrophobicContact SD-CD1 3.98Å; I315-I345 HydrophobicContact CB-CG2 4.27Å; I315-I345 HydrophobicContact CG1-CD1 4.26Å; I315-I345 HydrophobicContact CG1-CG2 3.51Å; I315-Y349 HydrophobicContact CB-CE2 4.35Å; I315-Y349 HydrophobicContact CG1-CE2 4.1Å; I315-Y349 HydrophobicContact CG2-CE2 4.14Å; I315-H351 PolarHBondContact O-NE2 2.84Å; I315-H351 VanDerWaalsContact O-NE2 3.15Å |
| 316 | H | 92.6 | Very high | 93.4 | Very high | 80 Ų | 80 | 26.2 Ų | 26.2 | 37% | 0.37 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -102.3 | 4.7 | -169.4 | -66.8 | -74.4 | 0 | 0 | 0 | 115.1 | A281 M312 T313 A314 R318 | A281-H316 WeakPolarHBondContact CA-CD2 3.45Å; A281-H316 WeakPolarHBondContact CB-CD2 3.4Å; A281-H316 WeakPolarHBondContact CB-NE2 3.5Å; M312-H316 PolarHBondContact O-CD2 3.35Å; M312-H316 PolarHBondContact O-N 3.27Å; T313-H316 PolarHBondContact O-N 3.13Å; A314-H316 VanDerWaalsContact C-N 3.3Å; A314-H316 PolarHBondContact O-N 3.26Å; H316-R318 HydrophobicContact CB-CG 4.02Å; H316-R318 PolarHBondContact O-N 3.11Å; H316-R318 PolarHBondContact O-NH1 3.07Å |
| 317 | G | 90.8 | Very high | 93.3 | Very high | 25 Ų | 25 | 32.1 Ų | 32.1 | 26% | 0.258 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 34.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T313 F319 H351 | T313-G317 PolarHBondContact O-N 3.45Å; G317-F319 PolarHBondContact O-N 3.48Å; G317-F319 VanDerWaalsContact O-N 3.16Å; G317-H351 WeakPolarHBondContact CA-CE1 3.27Å; G317-H351 WeakPolarHBondContact CA-ND1 3.48Å; G317-H351 PolarHBondContact N-CE1 3.11Å; G317-H351 PolarHBondContact N-NE2 2.9Å |
| 318 | R | 91.6 | Very high | 93.1 | Very high | 46 Ų | 46 | 33.9 Ų | 33.9 | 17% | 0.174 | 18% | 0.178 | C | C | . | . | trans | -90.7 | 73.8 | -173.5 | -60.4 | -63.3 | -172.1 | -113.9 | -16.9 | 111.4 | A281 S282 R283 T313 H316 R321 S322 | A281-R318 PolarHBondContact O-NE 3.1Å; A281-R318 PolarHBondContact O-NH2 3.4Å; S282-R318 PolarHBondContact O-NE 3.15Å; R283-R318 VanDerWaalsContact NE-CZ 3.31Å; R283-R318 VanDerWaalsContact NE-NH2 3.14Å; T313-R318 PolarHBondContact O-N 3.31Å; H316-R318 HydrophobicContact CB-CG 4.02Å; H316-R318 PolarHBondContact O-N 3.11Å; H316-R318 PolarHBondContact O-NH1 3.07Å; R318-R321 HydrophobicContact CB-CB 4.39Å; R318-R321 PolarHBondContact O-N 3.4Å; R318-S322 PolarHBondContact O-N 3.22Å; R318-S322 PolarHBondContact O-OG 2.88Å | ||
| 319 | F | 88.4 | Confident | 92.8 | Very high | 72 Ų | 72 | 36.3 Ų | 36.3 | 32% | 0.316 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -49.3 | -61 | -177.4 | 170.6 | -89.4 | 0 | 0 | 0 | 113.8 | G317 R321 S322 Q323 L353 T357 | G317-F319 PolarHBondContact O-N 3.48Å; G317-F319 VanDerWaalsContact O-N 3.16Å; F319-R321 PolarHBondContact O-N 2.95Å; F319-R321 VanDerWaalsContact O-N 3.14Å; F319-S322 WeakPolarHBondContact O-CA 3.49Å; F319-S322 VanDerWaalsContact O-CB 3.29Å; F319-S322 WeakPolarHBondContact O-CB 3.41Å; F319-S322 PolarHBondContact O-N 3.39Å; F319-Q323 PolarHBondContact O-N 3.05Å; F319-L353 HydrophobicContact CD2-CB 3.92Å; F319-L353 HydrophobicContact CE2-CB 4.44Å; F319-T357 WeakPolarHBondContact CD2-OG1 3.41Å; F319-T357 WeakPolarHBondContact CE2-OG1 3.35Å |
| 320 | S | 89.6 | Confident | 92.8 | Very high | 89 Ų | 89 | 36.8 Ų | 36.8 | 62% | 0.622 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -60 | -35.6 | -171.9 | -46.8 | 0 | 0 | 0 | 0 | 112.5 | Q323 A324 | S320-Q323 PolarHBondContact O-N 3.1Å; S320-A324 PolarHBondContact O-N 3.29Å |
| 321 | R | 90.9 | Very high | 92.7 | Very high | 14 Ų | 14 | 41.7 Ų | 41.7 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -77.5 | -29 | 178.1 | -59.1 | -173.4 | -37.8 | 75.9 | 20 | 113 | T279 A286 L289 R318 F319 Q323 A324 I325 | T279-R321 PolarHBondContact O-NE 2.85Å; T279-R321 PolarHBondContact O-NH1 2.94Å; A286-R321 HydrophobicContact CB-CG 4.34Å; L289-R321 HydrophobicContact CD1-CB 3.85Å; L289-R321 HydrophobicContact CD1-CG 4.3Å; R318-R321 HydrophobicContact CB-CB 4.39Å; R318-R321 PolarHBondContact O-N 3.4Å; F319-R321 PolarHBondContact O-N 2.95Å; F319-R321 VanDerWaalsContact O-N 3.14Å; R321-Q323 VanDerWaalsContact C-N 3.32Å; R321-A324 PolarHBondContact O-N 3.21Å; R321-I325 WeakPolarHBondContact O-CB 3.44Å; R321-I325 WeakPolarHBondContact O-CD1 3.28Å; R321-I325 VanDerWaalsContact O-CG1 3.29Å; R321-I325 WeakPolarHBondContact O-CG1 3.49Å; R321-I325 PolarHBondContact O-N 2.91Å |
| 322 | S | 92.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.1 | -42.9 | 171.6 | -50 | 0 | 0 | 0 | 0 | 109.8 | T313 R318 F319 I325 I326 L354 | T313-S322 WeakPolarHBondContact CB-OG 3.44Å; T313-S322 PolarHBondContact OG1-OG 3.46Å; R318-S322 PolarHBondContact O-N 3.22Å; R318-S322 PolarHBondContact O-OG 2.88Å; F319-S322 WeakPolarHBondContact O-CA 3.49Å; F319-S322 VanDerWaalsContact O-CB 3.29Å; F319-S322 WeakPolarHBondContact O-CB 3.41Å; F319-S322 PolarHBondContact O-N 3.39Å; S322-I325 PolarHBondContact O-N 3Å; S322-I326 WeakPolarHBondContact O-CB 3.49Å; S322-I326 WeakPolarHBondContact O-CD1 3.38Å; S322-I326 WeakPolarHBondContact O-CG1 3.36Å; S322-I326 PolarHBondContact O-N 3.12Å; S322-L354 WeakPolarHBondContact OG-CD1 3.28Å |
| 323 | Q | 91.6 | Very high | 92.5 | Very high | 74 Ų | 74 | 44.4 Ų | 44.4 | 35% | 0.346 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.1 | -49.1 | 174.2 | -179.5 | 172.9 | -7 | 0 | 0 | 111.4 | F319 S320 R321 I325 I326 E327 | F319-Q323 PolarHBondContact O-N 3.05Å; S320-Q323 PolarHBondContact O-N 3.1Å; R321-Q323 VanDerWaalsContact C-N 3.32Å; Q323-I325 VanDerWaalsContact C-N 3.32Å; Q323-I325 PolarHBondContact O-N 2.86Å; Q323-I326 PolarHBondContact O-N 3.5Å; Q323-I326 VanDerWaalsContact O-N 3.16Å; Q323-E327 HydrophobicContact CG-CG 4.31Å; Q323-E327 WeakPolarHBondContact CG-OE1 3.19Å; Q323-E327 PolarHBondContact NE2-OE1 3.49Å; Q323-E327 WeakPolarHBondContact O-CB 3.29Å; Q323-E327 WeakPolarHBondContact O-CG 3.49Å; Q323-E327 PolarHBondContact O-N 3.09Å |
| 324 | A | 91.8 | Very high | 92.5 | Very high | 17 Ų | 17 | 44.7 Ų | 44.7 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.9 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L289 S320 R321 N328 | L289-A324 HydrophobicContact CD2-CB 3.9Å; S320-A324 PolarHBondContact O-N 3.29Å; R321-A324 PolarHBondContact O-N 3.21Å; A324-N328 PolarHBondContact O-N 2.97Å; A324-N328 VanDerWaalsContact O-N 3.15Å; A324-N328 PolarHBondContact O-ND2 2.79Å |
| 325 | I | 93.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 177.1 | -75.5 | 163.5 | 0 | 0 | 0 | 111.3 | L289 P309 L310 T313 R321 S322 Q323 N328 A330 | L289-I325 HydrophobicContact CD1-CD1 3.61Å; L289-I325 HydrophobicContact CD1-CG1 3.78Å; L289-I325 HydrophobicContact CD2-CG1 4.33Å; L289-I325 HydrophobicContact CG-CG1 4.37Å; P309-I325 HydrophobicContact CB-CD1 4.01Å; L310-I325 HydrophobicContact CB-CG2 4.25Å; L310-I325 HydrophobicContact CD1-CG2 4.33Å; T313-I325 HydrophobicContact CG2-CD1 3.6Å; R321-I325 WeakPolarHBondContact O-CB 3.44Å; R321-I325 WeakPolarHBondContact O-CD1 3.28Å; R321-I325 VanDerWaalsContact O-CG1 3.29Å; R321-I325 WeakPolarHBondContact O-CG1 3.49Å; R321-I325 PolarHBondContact O-N 2.91Å; S322-I325 PolarHBondContact O-N 3Å; Q323-I325 VanDerWaalsContact C-N 3.32Å; Q323-I325 PolarHBondContact O-N 2.86Å; I325-N328 PolarHBondContact O-N 2.88Å; I325-A330 HydrophobicContact CB-CB 4.48Å; I325-A330 HydrophobicContact CG2-CB 3.28Å; I325-A330 WeakPolarHBondContact O-CB 3.25Å; I325-A330 PolarHBondContact O-N 3.46Å |
| 326 | I | 93.5 | Very high | 92.5 | Very high | 18 Ų | 18 | 48 Ų | 48 | 9% | 0.092 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 177.4 | -67.8 | 163 | 0 | 0 | 0 | 111 | L310 S322 Q323 N328 G329 I332 T357 L358 N361 | L310-I326 HydrophobicContact CD1-CD1 4.18Å; L310-I326 HydrophobicContact CD1-CG1 4.04Å; L310-I326 HydrophobicContact CD2-CG1 4.18Å; S322-I326 WeakPolarHBondContact O-CB 3.49Å; S322-I326 WeakPolarHBondContact O-CD1 3.38Å; S322-I326 WeakPolarHBondContact O-CG1 3.36Å; S322-I326 PolarHBondContact O-N 3.12Å; Q323-I326 PolarHBondContact O-N 3.5Å; Q323-I326 VanDerWaalsContact O-N 3.16Å; I326-N328 PolarHBondContact O-N 2.83Å; I326-G329 PolarHBondContact O-N 3.43Å; I326-I332 HydrophobicContact CG1-CG1 4.37Å; I326-I332 HydrophobicContact CG2-CD1 4.15Å; I326-I332 HydrophobicContact CG2-CG1 4.41Å; I326-T357 HydrophobicContact CD1-CG2 4.26Å; I326-L358 HydrophobicContact CD1-CD2 4.04Å; I326-N361 HydrophobicContact CG2-CB 4.21Å |
| 327 | E | 92.1 | Very high | 92.5 | Very high | 134 Ų | 134 | 51.4 Ų | 51.4 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.3 | -28.5 | 177.5 | -73.5 | 170.6 | -179.2 | 0 | 0 | 112.4 | Q323 G329 | Q323-E327 HydrophobicContact CG-CG 4.31Å; Q323-E327 WeakPolarHBondContact CG-OE1 3.19Å; Q323-E327 PolarHBondContact NE2-OE1 3.49Å; Q323-E327 WeakPolarHBondContact O-CB 3.29Å; Q323-E327 WeakPolarHBondContact O-CG 3.49Å; Q323-E327 PolarHBondContact O-N 3.09Å; E327-G329 VanDerWaalsContact C-N 3.3Å; E327-G329 PolarHBondContact O-N 2.93Å |
| 328 | N | 92.1 | Very high | 92.6 | Very high | 86 Ų | 86 | 54.6 Ų | 54.6 | 46% | 0.46 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 19.9 | 175.3 | -73.6 | -81.2 | 0 | 0 | 0 | 113.8 | V293 V299 A324 I325 I326 | V293-N328 HydrophobicContact CG1-CB 3.84Å; V293-N328 WeakPolarHBondContact CG1-OD1 3.46Å; V299-N328 HydrophobicContact CG1-CB 4.21Å; A324-N328 PolarHBondContact O-N 2.97Å; A324-N328 VanDerWaalsContact O-N 3.15Å; A324-N328 PolarHBondContact O-ND2 2.79Å; I325-N328 PolarHBondContact O-N 2.88Å; I326-N328 PolarHBondContact O-N 2.83Å |
| 329 | G | 91.1 | Very high | 92.7 | Very high | 51 Ų | 51 | 53.3 Ų | 53.3 | 53% | 0.526 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 25.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | N300 I326 E327 | N300-G329 PolarHBondContact ND2-O 3.3Å; I326-G329 PolarHBondContact O-N 3.43Å; E327-G329 VanDerWaalsContact C-N 3.3Å; E327-G329 PolarHBondContact O-N 2.93Å |
| 330 | A | 94.3 | Very high | 93 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | trans | -70.3 | 138.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | V299 N300 I325 I332 | V299-A330 HydrophobicContact CG2-CB 4.47Å; N300-A330 WeakPolarHBondContact OD1-CA 3.49Å; I325-A330 HydrophobicContact CB-CB 4.48Å; I325-A330 HydrophobicContact CG2-CB 3.28Å; I325-A330 WeakPolarHBondContact O-CB 3.25Å; I325-A330 PolarHBondContact O-N 3.46Å; A330-I332 PolarHBondContact O-N 3.34Å | ||
| 331 | E | 94.5 | Very high | 93.3 | Very high | 105 Ų | 105 | 46 Ų | 46 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | trans | -71.1 | 112.6 | 172.8 | -67.5 | 176.8 | -174.4 | 0 | 0 | 110.3 | N300 S334 | N300-E331 PolarHBondContact OD1-N 3.14Å; E331-S334 PolarHBondContact OE2-OG 2.96Å | ||
| 332 | I | 93.7 | Very high | 93.6 | Very high | 29 Ų | 29 | 45.3 Ų | 45.3 | 15% | 0.149 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -41.7 | -173.7 | -62.3 | 171.6 | 0 | 0 | 0 | 111.7 | I326 A330 P342 L358 N361 A363 | I326-I332 HydrophobicContact CG1-CG1 4.37Å; I326-I332 HydrophobicContact CG2-CD1 4.15Å; I326-I332 HydrophobicContact CG2-CG1 4.41Å; A330-I332 PolarHBondContact O-N 3.34Å; I332-P342 WeakPolarHBondContact O-CD 3.37Å; I332-P342 WeakPolarHBondContact O-CG 3.31Å; I332-L358 HydrophobicContact CG2-CD2 3.97Å; I332-N361 HydrophobicContact CD1-CB 3.53Å; I332-N361 WeakPolarHBondContact CD1-O 3.32Å; I332-A363 HydrophobicContact CG2-CB 3.54Å |
| 333 | D | 93.8 | Very high | 93.8 | Very high | 52 Ų | 52 | 45.4 Ų | 45.4 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 25.8 | -177.2 | -62.8 | -42.5 | 0 | 0 | 0 | 112.7 | E335 T341 D364 | D333-E335 PolarHBondContact O-N 2.91Å; D333-T341 HydrophobicContact CB-CG2 4.46Å; D333-D364 PolarHBondContact OD1-N 3.32Å; D333-D364 VanDerWaalsContact OD1-N 3.11Å; D333-D364 PolarHBondContact OD2-N 3.47Å |
| 334 | S | 94.1 | Very high | 94 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | trans | -63.2 | 134.8 | 173 | -125.3 | 0 | 0 | 0 | 0 | 109.5 | K302 H311 E331 P342 | K302-S334 WeakPolarHBondContact CE-OG 3.34Å; K302-S334 PolarHBondContact NZ-OG 2.98Å; H311-S334 PolarHBondContact CE1-O 2.98Å; H311-S334 PolarHBondContact NE2-O 3.49Å; E331-S334 PolarHBondContact OE2-OG 2.96Å; S334-P342 WeakPolarHBondContact O-CD 3.35Å | ||
| 335 | E | 94.8 | Very high | 94.2 | Very high | 88 Ų | 88 | 41.6 Ų | 41.6 | 41% | 0.411 | 22% | 0.222 | S | C | . | . | trans | -99 | 140.5 | -176 | -65.9 | 170.4 | -168.5 | 0 | 0 | 111.9 | D333 T341 | D333-E335 PolarHBondContact O-N 2.91Å; E335-T341 HydrophobicContact CG-CG2 4.12Å | ||
| 336 | D | 94.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 41.6 Ų | 41.6 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | trans | -76.8 | 176.2 | 165.7 | 82.7 | -0.7 | 0 | 0 | 0 | 111.8 | K307 N338 G339 N340 | K307-D336 HydrophobicContact CG-CB 4.07Å; D336-N338 PolarHBondContact O-N 3.18Å; D336-N338 VanDerWaalsContact O-N 3.07Å; D336-N338 WeakPolarHBondContact OD1-CA 3.39Å; D336-N338 WeakPolarHBondContact OD1-CB 3.24Å; D336-N338 PolarHBondContact OD1-N 3.42Å; D336-G339 PolarHBondContact O-N 3.24Å; D336-G339 PolarHBondContact OD1-N 3.47Å; D336-N340 PolarHBondContact N-O 2.93Å; D336-N340 WeakPolarHBondContact OD1-CB 3.45Å; D336-N340 PolarHBondContact OD1-N 3.07Å | ||
| 337 | K | 94.4 | Very high | 94.4 | Very high | 153 Ų | 153 | 40.8 Ų | 40.8 | 67% | 0.665 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.8 | 178.8 | -85.2 | -172.3 | 171.2 | 170.9 | 0 | 115 | K304 D305 G339 | K304-K337 WeakPolarHBondContact O-CD 3.41Å; K304-K337 WeakPolarHBondContact O-CE 3.4Å; K304-K337 PolarHBondContact O-NZ 2.88Å; D305-K337 WeakPolarHBondContact O-CB 3.33Å; D305-K337 WeakPolarHBondContact O-CG 3.49Å; D305-K337 PolarHBondContact O-N 3.46Å; K337-G339 VanDerWaalsContact C-N 3.33Å |
| 338 | N | 91.8 | Very high | 94.6 | Very high | 92 Ų | 92 | 38.7 Ų | 38.7 | 49% | 0.492 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 7.5 | 178.2 | -57.5 | -40.4 | 0 | 0 | 0 | 111.7 | D336 N340 I370 | D336-N338 PolarHBondContact O-N 3.18Å; D336-N338 VanDerWaalsContact O-N 3.07Å; D336-N338 WeakPolarHBondContact OD1-CA 3.39Å; D336-N338 WeakPolarHBondContact OD1-CB 3.24Å; D336-N338 PolarHBondContact OD1-N 3.42Å; N338-N340 VanDerWaalsContact C-N 3.27Å; N338-N340 WeakPolarHBondContact CB-ND2 3.49Å; N338-N340 PolarHBondContact O-N 2.95Å; N338-I370 HydrophobicContact CB-CB 4.31Å; N338-I370 HydrophobicContact CB-CD1 4.36Å; N338-I370 HydrophobicContact CB-CG1 4.41Å; N338-I370 WeakPolarHBondContact O-CA 3.38Å; N338-I370 PolarHBondContact O-N 2.98Å |
| 339 | G | 93.1 | Very high | 94.7 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 19% | 0.186 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 77.7 | 4.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D336 K337 G369 | D336-G339 PolarHBondContact O-N 3.24Å; D336-G339 PolarHBondContact OD1-N 3.47Å; K337-G339 VanDerWaalsContact C-N 3.33Å; G339-G369 WeakPolarHBondContact O-CA 3.18Å |
| 340 | N | 95.7 | Very high | 94.9 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | trans | -79.5 | 132.9 | -178 | -60.3 | -57.8 | 0 | 0 | 0 | 110.5 | H311 D336 N338 H344 I370 | H311-N340 PolarHBondContact NE2-O 3.14Å; D336-N340 PolarHBondContact N-O 2.93Å; D336-N340 WeakPolarHBondContact OD1-CB 3.45Å; D336-N340 PolarHBondContact OD1-N 3.07Å; N338-N340 VanDerWaalsContact C-N 3.27Å; N338-N340 WeakPolarHBondContact CB-ND2 3.49Å; N338-N340 PolarHBondContact O-N 2.95Å; N340-H344 HydrophobicContact CB-CB 3.87Å; N340-I370 PolarHBondContact OD1-N 3Å; N340-I370 VanDerWaalsContact OD1-N 3.11Å | ||
| 341 | T | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -83.8 | 167.1 | 167.4 | 70 | 0 | 0 | 0 | 0 | 111.3 | D333 E335 L343 H344 I345 K367 | D333-T341 HydrophobicContact CB-CG2 4.46Å; E335-T341 HydrophobicContact CG-CG2 4.12Å; T341-L343 PolarHBondContact O-N 3.22Å; T341-L343 VanDerWaalsContact O-N 3.13Å; T341-L343 PolarHBondContact OG1-N 3.46Å; T341-H344 PolarHBondContact N-ND1 3.34Å; T341-H344 VanDerWaalsContact N-ND1 3.18Å; T341-H344 WeakPolarHBondContact O-CB 3.48Å; T341-H344 PolarHBondContact O-N 3.26Å; T341-H344 PolarHBondContact OG1-ND1 3.01Å; T341-I345 PolarHBondContact O-N 3.04Å; T341-K367 HydrophobicContact CG2-CB 4.2Å; T341-K367 HydrophobicContact CG2-CG 4.37Å | ||
| 342 | P | 96.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.9 | -31.3 | 172.2 | -26.9 | 35.6 | 0 | 0 | 0 | 113.3 | L310 H311 A314 I332 S334 I345 A346 L358 | L310-P342 HydrophobicContact CB-CG 4.17Å; L310-P342 HydrophobicContact CD2-CB 4.28Å; L310-P342 HydrophobicContact CD2-CG 3.92Å; L310-P342 HydrophobicContact CG-CB 3.94Å; L310-P342 HydrophobicContact CG-CG 3.84Å; H311-P342 WeakPolarHBondContact NE2-CD 3.39Å; A314-P342 HydrophobicContact CB-CB 4.26Å; A314-P342 VanDerWaalsContact CB-O 3.32Å; A314-P342 WeakPolarHBondContact CB-O 3.47Å; I332-P342 WeakPolarHBondContact O-CD 3.37Å; I332-P342 WeakPolarHBondContact O-CG 3.31Å; S334-P342 WeakPolarHBondContact O-CD 3.35Å; P342-I345 PolarHBondContact O-N 3.36Å; P342-A346 WeakPolarHBondContact O-CB 2.85Å; P342-A346 PolarHBondContact O-N 2.65Å; P342-L358 HydrophobicContact CB-CD1 4.37Å |
| 343 | L | 95.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.7 | -40.9 | 176.1 | -175.5 | 62.7 | 0 | 0 | 0 | 112.3 | T341 I345 A346 A347 I355 L358 I359 A363 T365 P375 L391 | T341-L343 PolarHBondContact O-N 3.22Å; T341-L343 VanDerWaalsContact O-N 3.13Å; T341-L343 PolarHBondContact OG1-N 3.46Å; L343-I345 VanDerWaalsContact C-N 3.32Å; L343-I345 PolarHBondContact O-N 3.06Å; L343-A346 PolarHBondContact O-N 2.99Å; L343-A347 VanDerWaalsContact O-CB 3.32Å; L343-A347 WeakPolarHBondContact O-CB 3.38Å; L343-A347 PolarHBondContact O-N 3.4Å; L343-I355 HydrophobicContact CD1-CB 4.29Å; L343-I355 HydrophobicContact CD1-CG1 4.15Å; L343-I355 HydrophobicContact CD1-CG2 3.99Å; L343-L358 HydrophobicContact CB-CD1 4.22Å; L343-L358 HydrophobicContact CD1-CB 4.18Å; L343-L358 HydrophobicContact CD1-CD1 4.14Å; L343-I359 HydrophobicContact CD1-CG1 4.48Å; L343-A363 HydrophobicContact CD2-CB 4.18Å; L343-T365 HydrophobicContact CD2-CG2 3.9Å; L343-P375 HydrophobicContact CB-CG 4.45Å; L343-P375 HydrophobicContact CD2-CB 4.38Å; L343-P375 HydrophobicContact CD2-CG 3.91Å; L343-P375 HydrophobicContact CG-CB 4.02Å; L343-P375 HydrophobicContact CG-CG 3.88Å; L343-L391 HydrophobicContact CD1-CD2 4.31Å; L343-L391 HydrophobicContact CD2-CD2 4.44Å |
| 344 | H | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.2 | -43.3 | 174.2 | -70.8 | 86.2 | 0 | 0 | 0 | 111.6 | N340 T341 R348 K367 G369 M373 P375 L378 | N340-H344 HydrophobicContact CB-CB 3.87Å; T341-H344 PolarHBondContact N-ND1 3.34Å; T341-H344 VanDerWaalsContact N-ND1 3.18Å; T341-H344 WeakPolarHBondContact O-CB 3.48Å; T341-H344 PolarHBondContact O-N 3.26Å; T341-H344 PolarHBondContact OG1-ND1 3.01Å; H344-R348 WeakPolarHBondContact O-CB 3.48Å; H344-R348 PolarHBondContact O-N 2.84Å; H344-K367 PolarHBondContact CE1-O 2.99Å; H344-K367 VanDerWaalsContact CE1-O 3.25Å; H344-K367 PolarHBondContact NE2-O 2.89Å; H344-K367 VanDerWaalsContact NE2-O 3.12Å; H344-G369 PolarHBondContact NE2-N 3.36Å; H344-G369 VanDerWaalsContact NE2-N 3.18Å; H344-M373 PolarHBondContact CD2-O 2.96Å; H344-M373 PolarHBondContact NE2-O 3.47Å; H344-M373 VanDerWaalsContact NE2-O 3.13Å; H344-P375 WeakPolarHBondContact NE2-CD 3.47Å; H344-L378 HydrophobicContact CB-CD1 3.79Å |
| 345 | I | 95.9 | Very high | 94.7 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 6% | 0.062 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.4 | -46.9 | 177.8 | -64.5 | -168.2 | 0 | 0 | 0 | 110.4 | H311 A314 I315 T341 P342 L343 A347 R348 Y349 | H311-I345 HydrophobicContact CB-CD1 3.95Å; A314-I345 HydrophobicContact CB-CB 3.98Å; A314-I345 HydrophobicContact CB-CG2 3.76Å; I315-I345 HydrophobicContact CB-CG2 4.27Å; I315-I345 HydrophobicContact CG1-CD1 4.26Å; I315-I345 HydrophobicContact CG1-CG2 3.51Å; T341-I345 PolarHBondContact O-N 3.04Å; P342-I345 PolarHBondContact O-N 3.36Å; L343-I345 VanDerWaalsContact C-N 3.32Å; L343-I345 PolarHBondContact O-N 3.06Å; I345-A347 VanDerWaalsContact C-N 3.27Å; I345-A347 PolarHBondContact O-N 3.49Å; I345-R348 PolarHBondContact O-N 3.47Å; I345-R348 VanDerWaalsContact O-N 3.16Å; I345-Y349 HydrophobicContact CG2-CD2 3.65Å; I345-Y349 HydrophobicContact CG2-CE2 3.85Å; I345-Y349 VanDerWaalsContact O-CD2 3.3Å; I345-Y349 WeakPolarHBondContact O-CD2 3.24Å; I345-Y349 PolarHBondContact O-N 2.99Å |
| 346 | A | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.9 | -40.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A314 P342 L343 Y349 G350 H351 L354 I355 L358 | A314-A346 HydrophobicContact CB-CB 4.23Å; P342-A346 WeakPolarHBondContact O-CB 2.85Å; P342-A346 PolarHBondContact O-N 2.65Å; L343-A346 PolarHBondContact O-N 2.99Å; A346-Y349 PolarHBondContact O-N 3.08Å; A346-G350 PolarHBondContact O-N 3.42Å; A346-H351 PolarHBondContact O-N 3.21Å; A346-L354 HydrophobicContact CB-CD2 4.02Å; A346-L354 HydrophobicContact CB-CG 4.29Å; A346-I355 HydrophobicContact CB-CG1 3.79Å; A346-L358 HydrophobicContact CB-CD1 4.25Å |
| 347 | A | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L343 I345 Y349 I355 P375 A379 L391 | L343-A347 VanDerWaalsContact O-CB 3.32Å; L343-A347 WeakPolarHBondContact O-CB 3.38Å; L343-A347 PolarHBondContact O-N 3.4Å; I345-A347 VanDerWaalsContact C-N 3.27Å; I345-A347 PolarHBondContact O-N 3.49Å; A347-Y349 VanDerWaalsContact C-N 3.34Å; A347-Y349 PolarHBondContact O-N 2.92Å; A347-I355 HydrophobicContact CB-CD1 4.26Å; A347-P375 HydrophobicContact CB-CB 3.93Å; A347-P375 VanDerWaalsContact CB-O 3.22Å; A347-P375 WeakPolarHBondContact CB-O 3.47Å; A347-A379 HydrophobicContact CB-CB 4.08Å; A347-A379 WeakPolarHBondContact O-CA 3.35Å; A347-L391 HydrophobicContact CB-CD1 4.11Å |
| 348 | R | 95.1 | Very high | 94.3 | Very high | 91 Ų | 91 | 32.4 Ų | 32.4 | 34% | 0.343 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.7 | -34.5 | 176.7 | -178.2 | -178.5 | -67.1 | -149.7 | -1.1 | 113.3 | H344 I345 L378 S382 F384 | H344-R348 WeakPolarHBondContact O-CB 3.48Å; H344-R348 PolarHBondContact O-N 2.84Å; I345-R348 PolarHBondContact O-N 3.47Å; I345-R348 VanDerWaalsContact O-N 3.16Å; R348-L378 HydrophobicContact CB-CB 4.25Å; R348-S382 WeakPolarHBondContact O-CB 3.37Å; R348-S382 PolarHBondContact O-OG 2.9Å; R348-F384 VanDerWaalsContact O-CE2 3.23Å; R348-F384 WeakPolarHBondContact O-CE2 3.47Å |
| 349 | Y | 95 | Very high | 94.3 | Very high | 118 Ų | 118 | 30 Ų | 30 | 46% | 0.463 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -98.9 | -1.4 | -178 | -71.3 | -76.1 | 0 | 0 | 0 | 114.1 | I315 I345 A346 A347 H351 F384 | I315-Y349 HydrophobicContact CB-CE2 4.35Å; I315-Y349 HydrophobicContact CG1-CE2 4.1Å; I315-Y349 HydrophobicContact CG2-CE2 4.14Å; I345-Y349 HydrophobicContact CG2-CD2 3.65Å; I345-Y349 HydrophobicContact CG2-CE2 3.85Å; I345-Y349 VanDerWaalsContact O-CD2 3.3Å; I345-Y349 WeakPolarHBondContact O-CD2 3.24Å; I345-Y349 PolarHBondContact O-N 2.99Å; A346-Y349 PolarHBondContact O-N 3.08Å; A347-Y349 VanDerWaalsContact C-N 3.34Å; A347-Y349 PolarHBondContact O-N 2.92Å; Y349-H351 VanDerWaalsContact CB-NE2 3.33Å; Y349-H351 WeakPolarHBondContact CB-NE2 3.45Å; Y349-F384 VanDerWaalsContact C-CE2 3.45Å |
| 350 | G | 94.5 | Very high | 94.2 | Very high | 20 Ų | 20 | 34 Ų | 34 | 21% | 0.206 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 28.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | A346 E352 F384 C387 | A346-G350 PolarHBondContact O-N 3.42Å; G350-E352 PolarHBondContact O-N 2.95Å; G350-E352 VanDerWaalsContact O-N 3.15Å; G350-F384 VanDerWaalsContact CA-CD1 3.47Å; G350-C387 VanDerWaalsContact C-SG 3.51Å |
| 351 | H | 95 | Very high | 94 | Very high | 45 Ų | 45 | 36.9 Ų | 36.9 | 21% | 0.208 | 19% | 0.187 | C | C | . | . | trans | -89.4 | 76.9 | -176.4 | -59.5 | -57.8 | 0 | 0 | 0 | 111.9 | A314 I315 G317 A346 Y349 L353 L354 I355 | A314-H351 PolarHBondContact O-CD2 3.35Å; A314-H351 PolarHBondContact O-NE2 2.89Å; I315-H351 PolarHBondContact O-NE2 2.84Å; I315-H351 VanDerWaalsContact O-NE2 3.15Å; G317-H351 WeakPolarHBondContact CA-CE1 3.27Å; G317-H351 WeakPolarHBondContact CA-ND1 3.48Å; G317-H351 PolarHBondContact N-CE1 3.11Å; G317-H351 PolarHBondContact N-NE2 2.9Å; A346-H351 PolarHBondContact O-N 3.21Å; Y349-H351 VanDerWaalsContact CB-NE2 3.33Å; Y349-H351 WeakPolarHBondContact CB-NE2 3.45Å; H351-L353 PolarHBondContact O-N 3.09Å; H351-L354 HydrophobicContact CB-CB 3.98Å; H351-L354 WeakPolarHBondContact O-CB 3.39Å; H351-L354 PolarHBondContact O-N 2.91Å; H351-L354 VanDerWaalsContact O-N 3.09Å; H351-I355 WeakPolarHBondContact O-CG1 3.18Å; H351-I355 PolarHBondContact O-N 3.23Å | ||
| 352 | E | 93.2 | Very high | 93.7 | Very high | 69 Ų | 69 | 45.9 Ų | 45.9 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -52.5 | -49.6 | -175.6 | -171.7 | -160 | 157.5 | 0 | 0 | 113.3 | G350 L354 I355 N356 D386 K390 | G350-E352 PolarHBondContact O-N 2.95Å; G350-E352 VanDerWaalsContact O-N 3.15Å; E352-L354 PolarHBondContact O-N 3.19Å; E352-I355 WeakPolarHBondContact O-CB 3.44Å; E352-I355 PolarHBondContact O-N 3.38Å; E352-N356 PolarHBondContact O-N 2.99Å; E352-D386 HydrophobicContact CG-CB 4.47Å; E352-K390 HydrophobicContact CG-CG 3.87Å; E352-K390 WeakPolarHBondContact OE1-CE 3.33Å; E352-K390 IonicContact OE1-NZ 3.25Å |
| 353 | L | 91.6 | Very high | 93.5 | Very high | 117 Ų | 117 | 46.2 Ų | 46.2 | 61% | 0.613 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59.4 | -38.2 | -178.9 | -68 | 175.6 | 0 | 0 | 0 | 111.8 | F319 H351 N356 T357 | F319-L353 HydrophobicContact CD2-CB 3.92Å; F319-L353 HydrophobicContact CE2-CB 4.44Å; H351-L353 PolarHBondContact O-N 3.09Å; L353-N356 PolarHBondContact O-N 3.46Å; L353-T357 PolarHBondContact O-N 3.18Å; L353-T357 VanDerWaalsContact O-N 3.12Å; L353-T357 PolarHBondContact O-OG1 2.87Å |
| 354 | L | 93 | Very high | 93.3 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.4 | -39.6 | 179.2 | -179.5 | 61.9 | 0 | 0 | 0 | 111.8 | A314 S322 A346 H351 E352 N356 T357 L358 | A314-L354 HydrophobicContact CB-CD2 3.78Å; S322-L354 WeakPolarHBondContact OG-CD1 3.28Å; A346-L354 HydrophobicContact CB-CD2 4.02Å; A346-L354 HydrophobicContact CB-CG 4.29Å; H351-L354 HydrophobicContact CB-CB 3.98Å; H351-L354 WeakPolarHBondContact O-CB 3.39Å; H351-L354 PolarHBondContact O-N 2.91Å; H351-L354 VanDerWaalsContact O-N 3.09Å; E352-L354 PolarHBondContact O-N 3.19Å; L354-N356 PolarHBondContact O-N 3.47Å; L354-T357 WeakPolarHBondContact O-CB 3.36Å; L354-T357 PolarHBondContact O-N 2.97Å; L354-T357 VanDerWaalsContact O-N 3.17Å; L354-L358 HydrophobicContact CD1-CD1 4.44Å; L354-L358 HydrophobicContact CD1-CG 4.29Å; L354-L358 HydrophobicContact CG-CD1 4.02Å; L354-L358 HydrophobicContact CG-CG 4.35Å; L354-L358 VanDerWaalsContact O-CG 3.3Å; L354-L358 WeakPolarHBondContact O-CG 3.49Å; L354-L358 PolarHBondContact O-N 3.24Å |
| 355 | I | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.6 | -45.7 | 172.3 | -69 | 172.8 | 0 | 0 | 0 | 109.7 | L343 A346 A347 H351 E352 T357 L358 I359 C387 K390 L391 | L343-I355 HydrophobicContact CD1-CB 4.29Å; L343-I355 HydrophobicContact CD1-CG1 4.15Å; L343-I355 HydrophobicContact CD1-CG2 3.99Å; A346-I355 HydrophobicContact CB-CG1 3.79Å; A347-I355 HydrophobicContact CB-CD1 4.26Å; H351-I355 WeakPolarHBondContact O-CG1 3.18Å; H351-I355 PolarHBondContact O-N 3.23Å; E352-I355 WeakPolarHBondContact O-CB 3.44Å; E352-I355 PolarHBondContact O-N 3.38Å; I355-T357 PolarHBondContact O-N 3.19Å; I355-L358 PolarHBondContact O-N 3.08Å; I355-I359 HydrophobicContact CG2-CD1 3.55Å; I355-I359 HydrophobicContact CG2-CG1 4.3Å; I355-I359 WeakPolarHBondContact O-CB 3.47Å; I355-I359 VanDerWaalsContact O-CG1 3.27Å; I355-I359 WeakPolarHBondContact O-CG1 3.49Å; I355-I359 PolarHBondContact O-N 3.43Å; I355-C387 HydrophobicContact CD1-CB 3.56Å; I355-C387 VanDerWaalsContact CD1-SG 3.51Å; I355-K390 HydrophobicContact CG2-CB 4.4Å; I355-L391 HydrophobicContact CG2-CD2 4.06Å; I355-L391 HydrophobicContact CG2-CG 4.2Å |
| 356 | N | 91.6 | Very high | 92.7 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 40% | 0.396 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 177.7 | -168 | 52.3 | 0 | 0 | 0 | 112.3 | E352 L353 L354 T360 | E352-N356 PolarHBondContact O-N 2.99Å; L353-N356 PolarHBondContact O-N 3.46Å; L354-N356 PolarHBondContact O-N 3.47Å; N356-T360 VanDerWaalsContact O-CB 3.3Å; N356-T360 WeakPolarHBondContact O-CB 3.43Å; N356-T360 PolarHBondContact O-N 3.29Å; N356-T360 PolarHBondContact O-OG1 3.02Å |
| 357 | T | 91.3 | Very high | 92.4 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 174.4 | -47.3 | 0 | 0 | 0 | 0 | 112 | F319 I326 L353 L354 I355 T360 N361 | F319-T357 WeakPolarHBondContact CD2-OG1 3.41Å; F319-T357 WeakPolarHBondContact CE2-OG1 3.35Å; I326-T357 HydrophobicContact CD1-CG2 4.26Å; L353-T357 PolarHBondContact O-N 3.18Å; L353-T357 VanDerWaalsContact O-N 3.12Å; L353-T357 PolarHBondContact O-OG1 2.87Å; L354-T357 WeakPolarHBondContact O-CB 3.36Å; L354-T357 PolarHBondContact O-N 2.97Å; L354-T357 VanDerWaalsContact O-N 3.17Å; I355-T357 PolarHBondContact O-N 3.19Å; T357-T360 PolarHBondContact O-N 2.9Å; T357-N361 WeakPolarHBondContact O-CB 3.27Å; T357-N361 PolarHBondContact O-N 2.86Å; T357-N361 PolarHBondContact O-ND2 3.4Å |
| 358 | L | 93.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.8 | -47.3 | -177.7 | -69.3 | 170 | 0 | 0 | 0 | 110.1 | L310 I326 I332 P342 L343 A346 L354 I355 T360 N361 K362 A363 | L310-L358 HydrophobicContact CD2-CD2 4.26Å; I326-L358 HydrophobicContact CD1-CD2 4.04Å; I332-L358 HydrophobicContact CG2-CD2 3.97Å; P342-L358 HydrophobicContact CB-CD1 4.37Å; L343-L358 HydrophobicContact CB-CD1 4.22Å; L343-L358 HydrophobicContact CD1-CB 4.18Å; L343-L358 HydrophobicContact CD1-CD1 4.14Å; A346-L358 HydrophobicContact CB-CD1 4.25Å; L354-L358 HydrophobicContact CD1-CD1 4.44Å; L354-L358 HydrophobicContact CD1-CG 4.29Å; L354-L358 HydrophobicContact CG-CD1 4.02Å; L354-L358 HydrophobicContact CG-CG 4.35Å; L354-L358 VanDerWaalsContact O-CG 3.3Å; L354-L358 WeakPolarHBondContact O-CG 3.49Å; L354-L358 PolarHBondContact O-N 3.24Å; I355-L358 PolarHBondContact O-N 3.08Å; L358-T360 PolarHBondContact O-N 2.83Å; L358-N361 CarbonylContact O-C 3.6Å; L358-N361 PolarHBondContact O-N 3.17Å; L358-K362 PolarHBondContact O-N 2.86Å; L358-A363 VanDerWaalsContact C-CB 3.46Å; L358-A363 HydrophobicContact CB-CB 3.87Å; L358-A363 WeakPolarHBondContact O-CB 3.25Å; L358-A363 PolarHBondContact O-N 3.01Å |
| 359 | I | 91.8 | Very high | 92.2 | Very high | 43 Ų | 43 | 57.3 Ų | 57.3 | 22% | 0.221 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 176.8 | -65.3 | 169.9 | 0 | 0 | 0 | 111.2 | L343 I355 N361 K362 T365 L391 | L343-I359 HydrophobicContact CD1-CG1 4.48Å; I355-I359 HydrophobicContact CG2-CD1 3.55Å; I355-I359 HydrophobicContact CG2-CG1 4.3Å; I355-I359 WeakPolarHBondContact O-CB 3.47Å; I355-I359 VanDerWaalsContact O-CG1 3.27Å; I355-I359 WeakPolarHBondContact O-CG1 3.49Å; I355-I359 PolarHBondContact O-N 3.43Å; I359-N361 PolarHBondContact O-N 3.37Å; I359-K362 WeakPolarHBondContact O-CA 3.48Å; I359-K362 PolarHBondContact O-N 3.19Å; I359-T365 HydrophobicContact CD1-CG2 4.33Å; I359-T365 HydrophobicContact CG1-CG2 4.05Å; I359-L391 HydrophobicContact CD1-CD2 4.15Å |
| 360 | T | 91.1 | Very high | 92.1 | Very high | 101 Ų | 101 | 53.7 Ų | 53.7 | 62% | 0.62 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.1 | -33.1 | 178.1 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | N356 T357 L358 K362 | N356-T360 VanDerWaalsContact O-CB 3.3Å; N356-T360 WeakPolarHBondContact O-CB 3.43Å; N356-T360 PolarHBondContact O-N 3.29Å; N356-T360 PolarHBondContact O-OG1 3.02Å; T357-T360 PolarHBondContact O-N 2.9Å; L358-T360 PolarHBondContact O-N 2.83Å; T360-K362 PolarHBondContact O-N 2.99Å |
| 361 | N | 91.2 | Very high | 92 | Very high | 68 Ų | 68 | 57.4 Ų | 57.4 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 20.8 | 173.9 | -69.7 | -79.9 | 0 | 0 | 0 | 113.2 | I326 I332 T357 L358 I359 | I326-N361 HydrophobicContact CG2-CB 4.21Å; I332-N361 HydrophobicContact CD1-CB 3.53Å; I332-N361 WeakPolarHBondContact CD1-O 3.32Å; T357-N361 WeakPolarHBondContact O-CB 3.27Å; T357-N361 PolarHBondContact O-N 2.86Å; T357-N361 PolarHBondContact O-ND2 3.4Å; L358-N361 CarbonylContact O-C 3.6Å; L358-N361 PolarHBondContact O-N 3.17Å; I359-N361 PolarHBondContact O-N 3.37Å |
| 362 | K | 90.2 | Very high | 91.9 | Very high | 188 Ų | 188 | 55.4 Ų | 55.4 | 82% | 0.817 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 33 | 175 | -50.3 | 178 | 178.8 | 177.5 | 0 | 115.5 | L358 I359 T360 | L358-K362 PolarHBondContact O-N 2.86Å; I359-K362 WeakPolarHBondContact O-CA 3.48Å; I359-K362 PolarHBondContact O-N 3.19Å; T360-K362 PolarHBondContact O-N 2.99Å |
| 363 | A | 92.1 | Very high | 91.9 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | trans | -59.1 | 137.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I332 L343 L358 T365 | I332-A363 HydrophobicContact CG2-CB 3.54Å; L343-A363 HydrophobicContact CD2-CB 4.18Å; L358-A363 VanDerWaalsContact C-CB 3.46Å; L358-A363 HydrophobicContact CB-CB 3.87Å; L358-A363 WeakPolarHBondContact O-CB 3.25Å; L358-A363 PolarHBondContact O-N 3.01Å; A363-T365 PolarHBondContact O-N 3.42Å | ||
| 364 | D | 91.3 | Very high | 92.1 | Very high | 63 Ų | 63 | 47.7 Ų | 47.7 | 34% | 0.337 | 25% | 0.246 | S | C | . | . | trans | -79.6 | 109.3 | 179.4 | -177.6 | 0.2 | 0 | 0 | 0 | 111 | D333 A366 K367 | D333-D364 PolarHBondContact OD1-N 3.32Å; D333-D364 VanDerWaalsContact OD1-N 3.11Å; D333-D364 PolarHBondContact OD2-N 3.47Å; D364-A366 VanDerWaalsContact C-N 3.27Å; D364-A366 PolarHBondContact O-N 3.15Å; D364-A366 WeakPolarHBondContact OD1-CA 3.44Å; D364-A366 WeakPolarHBondContact OD1-CB 3.17Å; D364-A366 PolarHBondContact OD1-N 3.27Å; D364-K367 HydrophobicContact CB-CG 3.66Å; D364-K367 WeakPolarHBondContact OD2-CE 3.39Å; D364-K367 WeakPolarHBondContact OD2-CG 3.38Å | ||
| 365 | T | 90.4 | Very high | 92.2 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -14.9 | 179.7 | 58.3 | 0 | 0 | 0 | 0 | 113 | L343 I359 A363 P375 L391 S394 | L343-T365 HydrophobicContact CD2-CG2 3.9Å; I359-T365 HydrophobicContact CD1-CG2 4.33Å; I359-T365 HydrophobicContact CG1-CG2 4.05Å; A363-T365 PolarHBondContact O-N 3.42Å; T365-P375 WeakPolarHBondContact O-CD 3.49Å; T365-L391 HydrophobicContact CG2-CD2 4.31Å; T365-S394 PolarHBondContact OG1-OG 3Å |
| 366 | A | 88.9 | Confident | 92.2 | Very high | 54 Ų | 54 | 47.7 Ų | 47.7 | 45% | 0.446 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 5.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | D364 F374 | D364-A366 VanDerWaalsContact C-N 3.27Å; D364-A366 PolarHBondContact O-N 3.15Å; D364-A366 WeakPolarHBondContact OD1-CA 3.44Å; D364-A366 WeakPolarHBondContact OD1-CB 3.17Å; D364-A366 PolarHBondContact OD1-N 3.27Å; A366-F374 VanDerWaalsContact O-CE1 3.23Å; A366-F374 WeakPolarHBondContact O-CE1 3.03Å |
| 367 | K | 91.1 | Very high | 92.4 | Very high | 72 Ų | 72 | 44.2 Ų | 44.2 | 31% | 0.313 | 23% | 0.227 | S | C | . | . | trans | -63.4 | 139.9 | 171.3 | -73.5 | -69.7 | -178.4 | 165.4 | 0 | 111.2 | T341 H344 D364 | T341-K367 HydrophobicContact CG2-CB 4.2Å; T341-K367 HydrophobicContact CG2-CG 4.37Å; H344-K367 PolarHBondContact CE1-O 2.99Å; H344-K367 VanDerWaalsContact CE1-O 3.25Å; H344-K367 PolarHBondContact NE2-O 2.89Å; H344-K367 VanDerWaalsContact NE2-O 3.12Å; D364-K367 HydrophobicContact CB-CG 3.66Å; D364-K367 WeakPolarHBondContact OD2-CE 3.39Å; D364-K367 WeakPolarHBondContact OD2-CG 3.38Å | ||
| 368 | R | 92.7 | Very high | 92.6 | Very high | 114 Ų | 114 | 43.7 Ų | 43.7 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | trans | -96.1 | 118.7 | 178.5 | -70.7 | -173.4 | 123.3 | -148 | -4.5 | 109.4 | F374 P401 D403 | R368-F374 HydrophobicContact CG-CD1 4.38Å; R368-F374 HydrophobicContact CG-CE1 3.77Å; R368-F374 HydrophobicContact CG-CE2 4.49Å; R368-F374 HydrophobicContact CG-CZ 3.85Å; R368-P401 PolarHBondContact NH2-O 3.06Å; R368-P401 VanDerWaalsContact NH2-O 3.12Å; R368-D403 IonicContact CZ-OD1 3.06Å; R368-D403 VanDerWaalsContact CZ-OD1 3.25Å; R368-D403 IonicContact NH1-OD1 2.87Å; R368-D403 PolarHBondContact NH1-OD1 3.19Å; R368-D403 IonicContact NH2-OD1 3.9Å; R368-D403 PolarHBondContact NH2-OD1 3.05Å | ||
| 369 | G | 92.6 | Very high | 92.7 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | trans | -94.6 | -142.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G339 H344 H371 G372 M373 | G339-G369 WeakPolarHBondContact O-CA 3.18Å; H344-G369 PolarHBondContact NE2-N 3.36Å; H344-G369 VanDerWaalsContact NE2-N 3.18Å; G369-H371 PolarHBondContact O-N 3.43Å; G369-G372 PolarHBondContact O-N 3.06Å; G369-M373 PolarHBondContact N-O 3.03Å | ||
| 370 | I | 92.6 | Very high | 92.9 | Very high | 41 Ų | 41 | 41.6 Ų | 41.6 | 21% | 0.21 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -56.7 | 128.4 | 179.2 | -168.2 | 174.4 | 0 | 0 | 0 | 111.3 | N338 N340 G372 M373 | N338-I370 HydrophobicContact CB-CB 4.31Å; N338-I370 HydrophobicContact CB-CD1 4.36Å; N338-I370 HydrophobicContact CB-CG1 4.41Å; N338-I370 WeakPolarHBondContact O-CA 3.38Å; N338-I370 PolarHBondContact O-N 2.98Å; N340-I370 PolarHBondContact OD1-N 3Å; N340-I370 VanDerWaalsContact OD1-N 3.11Å; I370-G372 PolarHBondContact O-N 3.29Å; I370-M373 VanDerWaalsContact O-CB 3.24Å; I370-M373 WeakPolarHBondContact O-CB 3.49Å; I370-M373 VanDerWaalsContact O-CG 3.25Å; I370-M373 WeakPolarHBondContact O-CG 3.5Å; I370-M373 PolarHBondContact O-N 3.47Å |
| 371 | H | 92.3 | Very high | 93.1 | Very high | 98 Ų | 98 | 40 Ų | 40 | 45% | 0.454 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | 56 | 27.8 | -176.9 | -52.4 | -56.3 | 0 | 0 | 0 | 114.8 | G369 M373 D403 F404 | G369-H371 PolarHBondContact O-N 3.43Å; H371-M373 HydrophobicContact CB-CG 4.41Å; H371-M373 PolarHBondContact O-N 3.28Å; H371-D403 WeakPolarHBondContact O-CB 3.21Å; H371-D403 PolarHBondContact O-N 2.94Å; H371-F404 HydrophobicContact CB-CD2 4.31Å; H371-F404 HydrophobicContact CB-CE2 3.69Å; H371-F404 AromaticContact CG-CE2 3.85Å |
| 372 | G | 92.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | 71.1 | 11.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G369 I370 D403 | G369-G372 PolarHBondContact O-N 3.06Å; I370-G372 PolarHBondContact O-N 3.29Å; G372-D403 WeakPolarHBondContact CA-OD2 3.47Å; G372-D403 PolarHBondContact N-OD2 3.14Å |
| 373 | M | 94.5 | Very high | 93.4 | Very high | 13 Ų | 13 | 31.2 Ų | 31.2 | 6% | 0.064 | 17% | 0.172 | C | C | . | . | trans | -72.8 | 132.2 | 178.6 | -64.5 | -176.5 | 76.9 | 0 | 0 | 110.2 | H344 G369 I370 H371 H377 L378 L381 D402 | H344-M373 PolarHBondContact CD2-O 2.96Å; H344-M373 PolarHBondContact NE2-O 3.47Å; H344-M373 VanDerWaalsContact NE2-O 3.13Å; G369-M373 PolarHBondContact N-O 3.03Å; I370-M373 VanDerWaalsContact O-CB 3.24Å; I370-M373 WeakPolarHBondContact O-CB 3.49Å; I370-M373 VanDerWaalsContact O-CG 3.25Å; I370-M373 WeakPolarHBondContact O-CG 3.5Å; I370-M373 PolarHBondContact O-N 3.47Å; H371-M373 HydrophobicContact CB-CG 4.41Å; H371-M373 PolarHBondContact O-N 3.28Å; M373-H377 HydrophobicContact CB-CB 4.15Å; M373-H377 HydrophobicContact CE-CB 3.65Å; M373-L378 HydrophobicContact CB-CD2 4.44Å; M373-L378 HydrophobicContact CE-CD2 3.79Å; M373-L378 HydrophobicContact SD-CD2 3.93Å; M373-L381 HydrophobicContact CE-CD2 4.18Å; M373-D402 HydrophobicContact CG-CB 4.27Å | ||
| 374 | F | 94.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 5% | 0.053 | 18% | 0.184 | C | C | . | . | trans | -83 | 164.1 | 173.2 | -56.4 | -96.1 | 0 | 0 | 0 | 110.8 | A366 R368 L376 H377 L378 F396 T400 | A366-F374 VanDerWaalsContact O-CE1 3.23Å; A366-F374 WeakPolarHBondContact O-CE1 3.03Å; R368-F374 HydrophobicContact CG-CD1 4.38Å; R368-F374 HydrophobicContact CG-CE1 3.77Å; R368-F374 HydrophobicContact CG-CE2 4.49Å; R368-F374 HydrophobicContact CG-CZ 3.85Å; F374-L376 PolarHBondContact O-N 3.34Å; F374-L376 VanDerWaalsContact O-N 3.15Å; F374-H377 AromaticContact CD2-CE1 3.45Å; F374-H377 VanDerWaalsContact CD2-CE1 3.45Å; F374-H377 WeakPolarHBondContact CD2-CE1 3.45Å; F374-H377 AromaticContact CD2-ND1 3.45Å; F374-H377 WeakPolarHBondContact CD2-ND1 3.4Å; F374-H377 AromaticContact CG-ND1 3.97Å; F374-H377 WeakPolarHBondContact O-CB 3.38Å; F374-H377 PolarHBondContact O-N 3.44Å; F374-L378 PolarHBondContact O-N 3.06Å; F374-F396 HydrophobicContact CB-CE2 3.91Å; F374-F396 HydrophobicContact CB-CZ 3.74Å; F374-F396 AromaticContact CD1-CE2 3.49Å; F374-F396 HydrophobicContact CD1-CE2 3.49Å; F374-F396 VanDerWaalsContact CD1-CE2 3.49Å; F374-F396 AromaticContact CD1-CZ 3.79Å; F374-F396 HydrophobicContact CD1-CZ 3.79Å; F374-F396 HydrophobicContact CD2-CE2 4.4Å; F374-F396 AromaticContact CD2-CZ 3.84Å; F374-F396 HydrophobicContact CD2-CZ 3.84Å; F374-F396 HydrophobicContact CE1-CE2 4Å; F374-F396 HydrophobicContact CE1-CZ 4.28Å; F374-F396 HydrophobicContact CE2-CZ 4.34Å; F374-F396 AromaticContact CG-CE2 3.68Å; F374-F396 HydrophobicContact CG-CE2 3.68Å; F374-F396 AromaticContact CG-CZ 3.51Å; F374-F396 HydrophobicContact CG-CZ 3.51Å; F374-T400 HydrophobicContact CE1-CG2 4.41Å; F374-T400 HydrophobicContact CE2-CG2 3.6Å; F374-T400 HydrophobicContact CZ-CG2 3.51Å | ||
| 375 | P | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54 | -37.7 | 177 | -25.9 | 35.2 | 0 | 0 | 0 | 112.8 | L343 H344 A347 T365 H377 L378 A379 L391 | L343-P375 HydrophobicContact CB-CG 4.45Å; L343-P375 HydrophobicContact CD2-CB 4.38Å; L343-P375 HydrophobicContact CD2-CG 3.91Å; L343-P375 HydrophobicContact CG-CB 4.02Å; L343-P375 HydrophobicContact CG-CG 3.88Å; H344-P375 WeakPolarHBondContact NE2-CD 3.47Å; A347-P375 HydrophobicContact CB-CB 3.93Å; A347-P375 VanDerWaalsContact CB-O 3.22Å; A347-P375 WeakPolarHBondContact CB-O 3.47Å; T365-P375 WeakPolarHBondContact O-CD 3.49Å; P375-H377 PolarHBondContact O-N 3.03Å; P375-L378 PolarHBondContact O-N 3.23Å; P375-A379 PolarHBondContact O-N 3.47Å; P375-L391 HydrophobicContact CB-CD1 4.13Å; P375-L391 HydrophobicContact CB-CD2 4.18Å |
| 376 | L | 95 | Very high | 93.9 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.8 | -40 | 177.5 | -178.6 | 62.8 | 0 | 0 | 0 | 112.6 | F374 L378 A379 A380 C388 L391 L392 F396 C408 | F374-L376 PolarHBondContact O-N 3.34Å; F374-L376 VanDerWaalsContact O-N 3.15Å; L376-L378 VanDerWaalsContact C-N 3.3Å; L376-L378 PolarHBondContact O-N 3.44Å; L376-A379 PolarHBondContact O-N 3.46Å; L376-A380 VanDerWaalsContact O-CB 3.31Å; L376-A380 WeakPolarHBondContact O-CB 3.5Å; L376-A380 PolarHBondContact O-N 3.08Å; L376-C388 HydrophobicContact CD1-CB 3.8Å; L376-L391 HydrophobicContact CB-CB 4.43Å; L376-L391 HydrophobicContact CB-CD1 4.38Å; L376-L391 HydrophobicContact CD1-CB 4.08Å; L376-L392 HydrophobicContact CD1-CG 4.18Å; L376-L392 HydrophobicContact CD2-CD2 3.66Å; L376-L392 HydrophobicContact CD2-CG 4.17Å; L376-F396 HydrophobicContact CB-CD1 4.41Å; L376-F396 HydrophobicContact CB-CE1 4.4Å; L376-F396 HydrophobicContact CD2-CD1 3.5Å; L376-F396 HydrophobicContact CD2-CE1 3.84Å; L376-F396 HydrophobicContact CD2-CG 4.45Å; L376-C408 HydrophobicContact CD2-CB 4.28Å; L376-C408 HydrophobicContact CG-CB 4.15Å |
| 377 | H | 95.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62 | -40.5 | 176.7 | -69.7 | 84.1 | 0 | 0 | 0 | 111.4 | M373 F374 P375 L381 T400 R406 T407 C408 A411 | M373-H377 HydrophobicContact CB-CB 4.15Å; M373-H377 HydrophobicContact CE-CB 3.65Å; F374-H377 AromaticContact CD2-CE1 3.45Å; F374-H377 VanDerWaalsContact CD2-CE1 3.45Å; F374-H377 WeakPolarHBondContact CD2-CE1 3.45Å; F374-H377 AromaticContact CD2-ND1 3.45Å; F374-H377 WeakPolarHBondContact CD2-ND1 3.4Å; F374-H377 AromaticContact CG-ND1 3.97Å; F374-H377 WeakPolarHBondContact O-CB 3.38Å; F374-H377 PolarHBondContact O-N 3.44Å; P375-H377 PolarHBondContact O-N 3.03Å; H377-L381 VanDerWaalsContact O-CB 3.27Å; H377-L381 WeakPolarHBondContact O-CB 3.44Å; H377-L381 PolarHBondContact O-N 3.33Å; H377-T400 PolarHBondContact CE1-O 3.17Å; H377-T400 PolarHBondContact NE2-O 3.1Å; H377-R406 PolarHBondContact NE2-O 2.81Å; H377-T407 VanDerWaalsContact CD2-C 3.44Å; H377-C408 PolarHBondContact CD2-N 3.32Å; H377-C408 VanDerWaalsContact CD2-N 3.35Å; H377-C408 PolarHBondContact NE2-N 3.27Å; H377-C408 VanDerWaalsContact NE2-N 3.1Å; H377-A411 HydrophobicContact CB-CB 4.47Å; H377-A411 WeakPolarHBondContact O-CB 3.22Å |
| 378 | L | 95 | Very high | 94.3 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.6 | -41.4 | 178.2 | -64.2 | 177.4 | 0 | 0 | 0 | 112 | H344 R348 M373 F374 P375 L376 A380 L381 S382 | H344-L378 HydrophobicContact CB-CD1 3.79Å; R348-L378 HydrophobicContact CB-CB 4.25Å; M373-L378 HydrophobicContact CB-CD2 4.44Å; M373-L378 HydrophobicContact CE-CD2 3.79Å; M373-L378 HydrophobicContact SD-CD2 3.93Å; F374-L378 PolarHBondContact O-N 3.06Å; P375-L378 PolarHBondContact O-N 3.23Å; L376-L378 VanDerWaalsContact C-N 3.3Å; L376-L378 PolarHBondContact O-N 3.44Å; L378-A380 VanDerWaalsContact C-N 3.34Å; L378-L381 PolarHBondContact O-N 2.99Å; L378-S382 WeakPolarHBondContact O-CB 3.47Å; L378-S382 PolarHBondContact O-N 3.47Å; L378-S382 PolarHBondContact O-OG 3.38Å |
| 379 | A | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A347 P375 L376 S382 G383 F384 C387 L391 | A347-A379 HydrophobicContact CB-CB 4.08Å; A347-A379 WeakPolarHBondContact O-CA 3.35Å; P375-A379 PolarHBondContact O-N 3.47Å; L376-A379 PolarHBondContact O-N 3.46Å; A379-S382 PolarHBondContact O-N 3.21Å; A379-G383 PolarHBondContact O-N 3.32Å; A379-F384 PolarHBondContact O-N 3.23Å; A379-C387 HydrophobicContact CB-CB 4.08Å; A379-L391 HydrophobicContact CB-CD1 4.17Å |
| 380 | A | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L376 L378 C388 C408 A411 A412 N417 L424 | L376-A380 VanDerWaalsContact O-CB 3.31Å; L376-A380 WeakPolarHBondContact O-CB 3.5Å; L376-A380 PolarHBondContact O-N 3.08Å; L378-A380 VanDerWaalsContact C-N 3.34Å; A380-C388 PolarHBondContact N-SG 2.92Å; A380-C408 HydrophobicContact CB-CB 4.4Å; A380-A411 HydrophobicContact CB-CB 4.42Å; A380-A412 HydrophobicContact CB-CB 4.22Å; A380-N417 PolarHBondContact O-ND2 3.29Å; A380-L424 HydrophobicContact CB-CD1 4.24Å |
| 381 | L | 94.9 | Very high | 94.3 | Very high | 66 Ų | 66 | 32 Ų | 32 | 35% | 0.346 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.4 | -37.5 | 175.8 | -175.7 | 63.8 | 0 | 0 | 0 | 112.4 | M373 H377 L378 A411 A414 N417 | M373-L381 HydrophobicContact CE-CD2 4.18Å; H377-L381 VanDerWaalsContact O-CB 3.27Å; H377-L381 WeakPolarHBondContact O-CB 3.44Å; H377-L381 PolarHBondContact O-N 3.33Å; L378-L381 PolarHBondContact O-N 2.99Å; L381-A411 HydrophobicContact CB-CB 4.19Å; L381-A411 WeakPolarHBondContact CD1-O 3.32Å; L381-A414 HydrophobicContact CD1-CB 4.3Å; L381-N417 VanDerWaalsContact C-ND2 3.29Å; L381-N417 PolarHBondContact O-ND2 2.73Å |
| 382 | S | 93.8 | Very high | 94.2 | Very high | 47 Ų | 47 | 28.8 Ų | 28.8 | 33% | 0.329 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -89.4 | -8.7 | -178.2 | -60.1 | 0 | 0 | 0 | 0 | 114.4 | R348 L378 A379 | R348-S382 WeakPolarHBondContact O-CB 3.37Å; R348-S382 PolarHBondContact O-OG 2.9Å; L378-S382 WeakPolarHBondContact O-CB 3.47Å; L378-S382 PolarHBondContact O-N 3.47Å; L378-S382 PolarHBondContact O-OG 3.38Å; A379-S382 PolarHBondContact O-N 3.21Å |
| 383 | G | 94.4 | Very high | 94 | Very high | 25 Ų | 25 | 33.4 Ų | 33.4 | 26% | 0.258 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | 19.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | A379 S385 N417 | A379-G383 PolarHBondContact O-N 3.32Å; G383-S385 PolarHBondContact O-N 3.22Å; G383-N417 VanDerWaalsContact CA-ND2 3.31Å; G383-N417 WeakPolarHBondContact CA-ND2 3.43Å; G383-N417 WeakPolarHBondContact CA-OD1 3.46Å; G383-N417 PolarHBondContact N-ND2 3.29Å; G383-N417 VanDerWaalsContact N-ND2 3.14Å |
| 384 | F | 95.9 | Very high | 93.4 | Very high | 76 Ų | 76 | 34.8 Ų | 34.8 | 33% | 0.333 | 19% | 0.191 | S | C | . | . | trans | -94.1 | 86 | -179 | -60.1 | -66.6 | 0 | 0 | 0 | 111.3 | R348 Y349 G350 A379 D386 C387 C388 | R348-F384 VanDerWaalsContact O-CE2 3.23Å; R348-F384 WeakPolarHBondContact O-CE2 3.47Å; Y349-F384 VanDerWaalsContact C-CE2 3.45Å; G350-F384 VanDerWaalsContact CA-CD1 3.47Å; A379-F384 PolarHBondContact O-N 3.23Å; F384-D386 PolarHBondContact O-N 3.49Å; F384-C387 HydrophobicContact CB-CB 3.82Å; F384-C387 WeakPolarHBondContact O-CB 3.27Å; F384-C387 PolarHBondContact O-N 3.34Å; F384-C388 PolarHBondContact O-N 3.32Å; F384-C388 PolarHBondContact O-SG 3.02Å | ||
| 385 | S | 94.8 | Very high | 92.7 | Very high | 28 Ų | 28 | 37.6 Ų | 37.6 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.9 | -36.9 | -176.1 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | G383 C388 R389 C420 L423 | G383-S385 PolarHBondContact O-N 3.22Å; S385-C388 WeakPolarHBondContact O-CB 3.14Å; S385-C388 PolarHBondContact O-N 2.64Å; S385-R389 PolarHBondContact O-N 3.48Å; S385-C420 VanDerWaalsContact CA-SG 3.56Å; S385-C420 PolarHBondContact N-SG 3.49Å; S385-C420 VanDerWaalsContact N-SG 3.37Å; S385-L423 VanDerWaalsContact O-CD2 3.32Å; S385-L423 WeakPolarHBondContact O-CD2 3.32Å |
| 386 | D | 94.2 | Very high | 92.2 | Very high | 88 Ų | 88 | 38.9 Ų | 38.9 | 47% | 0.471 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.5 | -39.5 | 176.1 | -63.1 | -44.8 | 0 | 0 | 0 | 111.8 | E352 F384 R389 K390 | E352-D386 HydrophobicContact CG-CB 4.47Å; F384-D386 PolarHBondContact O-N 3.49Å; D386-R389 WeakPolarHBondContact O-CB 3.5Å; D386-R389 PolarHBondContact O-N 2.89Å; D386-K390 WeakPolarHBondContact O-CG 3.45Å; D386-K390 PolarHBondContact O-N 3.26Å |
| 387 | C | 94.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 173.1 | -65.5 | 0 | 0 | 0 | 0 | 111.2 | G350 I355 A379 F384 R389 K390 L391 | G350-C387 VanDerWaalsContact C-SG 3.51Å; I355-C387 HydrophobicContact CD1-CB 3.56Å; I355-C387 VanDerWaalsContact CD1-SG 3.51Å; A379-C387 HydrophobicContact CB-CB 4.08Å; F384-C387 HydrophobicContact CB-CB 3.82Å; F384-C387 WeakPolarHBondContact O-CB 3.27Å; F384-C387 PolarHBondContact O-N 3.34Å; C387-R389 VanDerWaalsContact C-N 3.33Å; C387-R389 PolarHBondContact O-N 2.91Å; C387-K390 PolarHBondContact O-N 2.83Å; C387-L391 WeakPolarHBondContact O-CB 3.31Å; C387-L391 WeakPolarHBondContact O-CG 3.46Å; C387-L391 PolarHBondContact O-N 2.99Å |
| 388 | C | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 174 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | L376 A380 F384 S385 K390 L391 L392 L423 | L376-C388 HydrophobicContact CD1-CB 3.8Å; A380-C388 PolarHBondContact N-SG 2.92Å; F384-C388 PolarHBondContact O-N 3.32Å; F384-C388 PolarHBondContact O-SG 3.02Å; S385-C388 WeakPolarHBondContact O-CB 3.14Å; S385-C388 PolarHBondContact O-N 2.64Å; C388-K390 PolarHBondContact O-N 3.18Å; C388-L391 PolarHBondContact O-N 3.3Å; C388-L392 WeakPolarHBondContact O-CB 3.27Å; C388-L392 VanDerWaalsContact O-CG 3.25Å; C388-L392 WeakPolarHBondContact O-CG 3.42Å; C388-L392 PolarHBondContact O-N 3.32Å; C388-L423 HydrophobicContact CB-CD2 3.85Å |
| 389 | R | 93.3 | Very high | 91.4 | Very high | 130 Ų | 130 | 45.8 Ų | 45.8 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 177.8 | -174 | -177 | -56.6 | -72.4 | -1 | 111.8 | S385 D386 C387 L392 S393 L423 | S385-R389 PolarHBondContact O-N 3.48Å; D386-R389 WeakPolarHBondContact O-CB 3.5Å; D386-R389 PolarHBondContact O-N 2.89Å; C387-R389 VanDerWaalsContact C-N 3.33Å; C387-R389 PolarHBondContact O-N 2.91Å; R389-L392 PolarHBondContact O-N 3.49Å; R389-S393 PolarHBondContact O-N 3.41Å; R389-S393 PolarHBondContact O-OG 2.93Å; R389-L423 HydrophobicContact CB-CD2 4.08Å |
| 390 | K | 92.1 | Very high | 91.3 | Very high | 76 Ų | 76 | 47.5 Ų | 47.5 | 33% | 0.33 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 178.5 | -67.8 | -62.9 | -176.3 | 179.6 | 0 | 112.6 | E352 I355 D386 C387 C388 S393 | E352-K390 HydrophobicContact CG-CG 3.87Å; E352-K390 WeakPolarHBondContact OE1-CE 3.33Å; E352-K390 IonicContact OE1-NZ 3.25Å; I355-K390 HydrophobicContact CG2-CB 4.4Å; D386-K390 WeakPolarHBondContact O-CG 3.45Å; D386-K390 PolarHBondContact O-N 3.26Å; C387-K390 PolarHBondContact O-N 2.83Å; C388-K390 PolarHBondContact O-N 3.18Å; K390-S393 PolarHBondContact O-N 3.26Å |
| 391 | L | 92.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 177.5 | -71.2 | 165.8 | 0 | 0 | 0 | 111.6 | L343 A347 I355 I359 T365 P375 L376 A379 C387 C388 S394 | L343-L391 HydrophobicContact CD1-CD2 4.31Å; L343-L391 HydrophobicContact CD2-CD2 4.44Å; A347-L391 HydrophobicContact CB-CD1 4.11Å; I355-L391 HydrophobicContact CG2-CD2 4.06Å; I355-L391 HydrophobicContact CG2-CG 4.2Å; I359-L391 HydrophobicContact CD1-CD2 4.15Å; T365-L391 HydrophobicContact CG2-CD2 4.31Å; P375-L391 HydrophobicContact CB-CD1 4.13Å; P375-L391 HydrophobicContact CB-CD2 4.18Å; L376-L391 HydrophobicContact CB-CB 4.43Å; L376-L391 HydrophobicContact CB-CD1 4.38Å; L376-L391 HydrophobicContact CD1-CB 4.08Å; A379-L391 HydrophobicContact CB-CD1 4.17Å; C387-L391 WeakPolarHBondContact O-CB 3.31Å; C387-L391 WeakPolarHBondContact O-CG 3.46Å; C387-L391 PolarHBondContact O-N 2.99Å; C388-L391 PolarHBondContact O-N 3.3Å; L391-S394 WeakPolarHBondContact O-CB 3.36Å; L391-S394 PolarHBondContact O-N 3.2Å; L391-S394 VanDerWaalsContact O-N 3.16Å; L391-S394 PolarHBondContact O-OG 3.21Å |
| 392 | L | 91 | Very high | 91.2 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 174.4 | -71.6 | 166.4 | 0 | 0 | 0 | 112.3 | L376 C388 R389 S394 G395 I398 L423 L424 T427 | L376-L392 HydrophobicContact CD1-CG 4.18Å; L376-L392 HydrophobicContact CD2-CD2 3.66Å; L376-L392 HydrophobicContact CD2-CG 4.17Å; C388-L392 WeakPolarHBondContact O-CB 3.27Å; C388-L392 VanDerWaalsContact O-CG 3.25Å; C388-L392 WeakPolarHBondContact O-CG 3.42Å; C388-L392 PolarHBondContact O-N 3.32Å; R389-L392 PolarHBondContact O-N 3.49Å; L392-S394 PolarHBondContact O-N 3.27Å; L392-G395 PolarHBondContact O-N 3.4Å; L392-G395 VanDerWaalsContact O-N 3.13Å; L392-I398 HydrophobicContact CD2-CB 4.29Å; L392-I398 HydrophobicContact CD2-CD1 4.03Å; L392-I398 HydrophobicContact CD2-CG1 4.11Å; L392-L423 HydrophobicContact CD1-CD2 4.43Å; L392-L423 HydrophobicContact CD1-CG 4.46Å; L392-L424 HydrophobicContact CD1-CD2 4.13Å; L392-T427 HydrophobicContact CD1-CG2 4.37Å |
| 393 | S | 88.3 | Confident | 91.2 | Very high | 100 Ų | 100 | 49.1 Ų | 49.1 | 70% | 0.699 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.2 | 173.6 | -67.1 | 0 | 0 | 0 | 0 | 113.8 | R389 K390 G395 | R389-S393 PolarHBondContact O-N 3.41Å; R389-S393 PolarHBondContact O-OG 2.93Å; K390-S393 PolarHBondContact O-N 3.26Å; S393-G395 VanDerWaalsContact C-N 3.26Å; S393-G395 PolarHBondContact O-N 3.05Å |
| 394 | S | 82.1 | Confident | 91.2 | Very high | 43 Ų | 43 | 51.5 Ų | 51.5 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -1.4 | 178.1 | 77.4 | 0 | 0 | 0 | 0 | 114.5 | T365 L391 L392 | T365-S394 PolarHBondContact OG1-OG 3Å; L391-S394 WeakPolarHBondContact O-CB 3.36Å; L391-S394 PolarHBondContact O-N 3.2Å; L391-S394 VanDerWaalsContact O-N 3.16Å; L391-S394 PolarHBondContact O-OG 3.21Å; L392-S394 PolarHBondContact O-N 3.27Å |
| 395 | G | 79.7 | Confident | 91.1 | Very high | 71 Ų | 71 | 48.4 Ų | 48.4 | 73% | 0.732 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | 19.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L392 S393 | L392-G395 PolarHBondContact O-N 3.4Å; L392-G395 VanDerWaalsContact O-N 3.13Å; S393-G395 VanDerWaalsContact C-N 3.26Å; S393-G395 PolarHBondContact O-N 3.05Å |
| 396 | F | 85 | Confident | 91.2 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 11% | 0.114 | 28% | 0.278 | C | S | . | . | trans | -68.8 | 131.7 | 175.7 | -173.4 | -92.4 | 0 | 0 | 0 | 111.2 | F374 L376 I398 T400 | F374-F396 HydrophobicContact CB-CE2 3.91Å; F374-F396 HydrophobicContact CB-CZ 3.74Å; F374-F396 AromaticContact CD1-CE2 3.49Å; F374-F396 HydrophobicContact CD1-CE2 3.49Å; F374-F396 VanDerWaalsContact CD1-CE2 3.49Å; F374-F396 AromaticContact CD1-CZ 3.79Å; F374-F396 HydrophobicContact CD1-CZ 3.79Å; F374-F396 HydrophobicContact CD2-CE2 4.4Å; F374-F396 AromaticContact CD2-CZ 3.84Å; F374-F396 HydrophobicContact CD2-CZ 3.84Å; F374-F396 HydrophobicContact CE1-CE2 4Å; F374-F396 HydrophobicContact CE1-CZ 4.28Å; F374-F396 HydrophobicContact CE2-CZ 4.34Å; F374-F396 AromaticContact CG-CE2 3.68Å; F374-F396 HydrophobicContact CG-CE2 3.68Å; F374-F396 AromaticContact CG-CZ 3.51Å; F374-F396 HydrophobicContact CG-CZ 3.51Å; L376-F396 HydrophobicContact CB-CD1 4.41Å; L376-F396 HydrophobicContact CB-CE1 4.4Å; L376-F396 HydrophobicContact CD2-CD1 3.5Å; L376-F396 HydrophobicContact CD2-CE1 3.84Å; L376-F396 HydrophobicContact CD2-CG 4.45Å; F396-I398 PolarHBondContact O-N 3.4Å; F396-T400 HydrophobicContact CZ-CG2 4.43Å | ||
| 397 | D | 87.8 | Confident | 91.2 | Very high | 104 Ų | 104 | 45.6 Ų | 45.6 | 56% | 0.556 | 26% | 0.257 | S | S | * | . | trans | -72 | 115.4 | 174.8 | 178.4 | 16 | 0 | 0 | 0 | 110.6 | D399 T400 | D397-D399 VanDerWaalsContact C-N 3.28Å; D397-D399 PolarHBondContact O-N 2.86Å; D397-D399 PolarHBondContact OD1-N 3.01Å; D397-T400 WeakPolarHBondContact CB-OG1 3.32Å; D397-T400 WeakPolarHBondContact O-CB 3.4Å; D397-T400 PolarHBondContact O-N 3.3Å; D397-T400 PolarHBondContact O-OG1 3.46Å | ||
| 398 | I | 89.5 | Confident | 91.2 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -31.2 | -169.6 | -165.4 | 163.7 | 0 | 0 | 0 | 113.5 | L392 F396 T400 C408 L424 T427 A429 | L392-I398 HydrophobicContact CD2-CB 4.29Å; L392-I398 HydrophobicContact CD2-CD1 4.03Å; L392-I398 HydrophobicContact CD2-CG1 4.11Å; F396-I398 PolarHBondContact O-N 3.4Å; I398-T400 VanDerWaalsContact C-N 3.34Å; I398-C408 PolarHBondContact O-SG 2.87Å; I398-L424 HydrophobicContact CD1-CB 4.3Å; I398-L424 HydrophobicContact CD1-CD2 3.67Å; I398-L424 HydrophobicContact CG1-CD2 3.93Å; I398-T427 WeakPolarHBondContact CD1-OG1 3.49Å; I398-A429 HydrophobicContact CD1-CB 3.71Å; I398-A429 HydrophobicContact CG1-CB 3.97Å |
| 399 | D | 91.2 | Very high | 91.3 | Very high | 26 Ų | 26 | 45.5 Ų | 45.5 | 14% | 0.139 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 9 | -176.9 | -70.7 | -30.9 | 0 | 0 | 0 | 113 | D397 P401 D430 | D397-D399 VanDerWaalsContact C-N 3.28Å; D397-D399 PolarHBondContact O-N 2.86Å; D397-D399 PolarHBondContact OD1-N 3.01Å; D399-P401 VanDerWaalsContact O-CD 3.31Å; D399-P401 WeakPolarHBondContact O-CD 3.29Å; D399-D430 PolarHBondContact OD1-N 2.86Å; D399-D430 WeakPolarHBondContact OD2-CB 3.38Å |
| 400 | T | 92.3 | Very high | 91.5 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 22% | 0.221 | 23% | 0.233 | C | C | . | . | trans | -62.2 | 121.5 | 177.5 | -53.6 | 0 | 0 | 0 | 0 | 110.3 | F374 H377 F396 D397 I398 | F374-T400 HydrophobicContact CE1-CG2 4.41Å; F374-T400 HydrophobicContact CE2-CG2 3.6Å; F374-T400 HydrophobicContact CZ-CG2 3.51Å; H377-T400 PolarHBondContact CE1-O 3.17Å; H377-T400 PolarHBondContact NE2-O 3.1Å; F396-T400 HydrophobicContact CZ-CG2 4.43Å; D397-T400 WeakPolarHBondContact CB-OG1 3.32Å; D397-T400 WeakPolarHBondContact O-CB 3.4Å; D397-T400 PolarHBondContact O-N 3.3Å; D397-T400 PolarHBondContact O-OG1 3.46Å; I398-T400 VanDerWaalsContact C-N 3.34Å | ||
| 401 | P | 94.6 | Very high | 91.6 | Very high | 60 Ų | 60 | 36.2 Ų | 36.2 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | trans | -84.1 | 150.8 | -177.5 | 31.4 | -33.2 | 0 | 0 | 0 | 113.7 | R368 D399 R406 | R368-P401 PolarHBondContact NH2-O 3.06Å; R368-P401 VanDerWaalsContact NH2-O 3.12Å; D399-P401 VanDerWaalsContact O-CD 3.31Å; D399-P401 WeakPolarHBondContact O-CD 3.29Å; P401-R406 CarbonylContact C-O 3.59Å; P401-R406 WeakPolarHBondContact CA-O 3.17Å | ||
| 402 | D | 94.3 | Very high | 91.8 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | trans | -74.8 | -173.2 | 165.5 | 76.9 | 2 | 0 | 0 | 0 | 112.6 | M373 F404 G405 R406 | M373-D402 HydrophobicContact CG-CB 4.27Å; D402-F404 PolarHBondContact O-N 3.04Å; D402-F404 VanDerWaalsContact O-N 3.15Å; D402-F404 WeakPolarHBondContact OD1-CA 3.48Å; D402-F404 WeakPolarHBondContact OD1-CB 3.29Å; D402-F404 PolarHBondContact OD1-N 2.95Å; D402-G405 PolarHBondContact O-N 3.26Å; D402-G405 PolarHBondContact OD1-N 2.92Å; D402-R406 PolarHBondContact N-O 3.26Å; D402-R406 WeakPolarHBondContact OD1-CB 3.45Å; D402-R406 PolarHBondContact OD1-N 3.24Å; D402-R406 IonicContact OD1-NE 3.17Å; D402-R406 PolarHBondContact OD1-NE 3.02Å; D402-R406 IonicContact OD2-CZ 2.62Å; D402-R406 IonicContact OD2-NE 3.54Å; D402-R406 PolarHBondContact OD2-NE 3.1Å; D402-R406 IonicContact OD2-NH2 3.95Å; D402-R406 PolarHBondContact OD2-NH2 2.84Å | ||
| 403 | D | 94.5 | Very high | 92 | Very high | 82 Ų | 82 | 34.6 Ų | 34.6 | 44% | 0.439 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.5 | -178.4 | -68.8 | -20.5 | 0 | 0 | 0 | 113.9 | R368 H371 G372 N436 | R368-D403 IonicContact CZ-OD1 3.06Å; R368-D403 VanDerWaalsContact CZ-OD1 3.25Å; R368-D403 IonicContact NH1-OD1 2.87Å; R368-D403 PolarHBondContact NH1-OD1 3.19Å; R368-D403 IonicContact NH2-OD1 3.9Å; R368-D403 PolarHBondContact NH2-OD1 3.05Å; H371-D403 WeakPolarHBondContact O-CB 3.21Å; H371-D403 PolarHBondContact O-N 2.94Å; G372-D403 WeakPolarHBondContact CA-OD2 3.47Å; G372-D403 PolarHBondContact N-OD2 3.14Å; D403-N436 PolarHBondContact O-ND2 3.22Å; D403-N436 VanDerWaalsContact O-ND2 3.12Å |
| 404 | F | 94.4 | Very high | 92.3 | Very high | 74 Ų | 74 | 30.8 Ų | 30.8 | 33% | 0.325 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 6.9 | 177.8 | -59.5 | -73.5 | 0 | 0 | 0 | 112.8 | H371 D402 R406 D435 N436 F437 | H371-F404 HydrophobicContact CB-CD2 4.31Å; H371-F404 HydrophobicContact CB-CE2 3.69Å; H371-F404 AromaticContact CG-CE2 3.85Å; D402-F404 PolarHBondContact O-N 3.04Å; D402-F404 VanDerWaalsContact O-N 3.15Å; D402-F404 WeakPolarHBondContact OD1-CA 3.48Å; D402-F404 WeakPolarHBondContact OD1-CB 3.29Å; D402-F404 PolarHBondContact OD1-N 2.95Å; F404-R406 VanDerWaalsContact C-N 3.29Å; F404-R406 HydrophobicContact CB-CG 4.02Å; F404-R406 VanDerWaalsContact CD2-NH2 3.26Å; F404-D435 WeakPolarHBondContact O-CB 3.47Å; F404-N436 VanDerWaalsContact C-ND2 3.26Å; F404-N436 WeakPolarHBondContact CA-ND2 3.43Å; F404-N436 WeakPolarHBondContact O-CB 3.43Å; F404-N436 PolarHBondContact O-N 2.83Å; F404-N436 PolarHBondContact O-ND2 3.14Å; F404-N436 PolarHBondContact O-OD1 2.94Å; F404-F437 HydrophobicContact CD1-CE2 4.37Å |
| 405 | G | 94.3 | Very high | 92.6 | Very high | 11 Ų | 11 | 30.1 Ų | 30.1 | 11% | 0.113 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 80.6 | 8.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D402 N436 | D402-G405 PolarHBondContact O-N 3.26Å; D402-G405 PolarHBondContact OD1-N 2.92Å; G405-N436 WeakPolarHBondContact CA-OD1 3.4Å |
| 406 | R | 95.7 | Very high | 93.1 | Very high | 55 Ų | 55 | 27.7 Ų | 27.7 | 21% | 0.208 | 16% | 0.162 | C | C | . | . | trans | -87.4 | 132.8 | -174.3 | -55.8 | 173.5 | -58.8 | -174.2 | 2.7 | 110.1 | H377 P401 D402 F404 H410 D435 Y444 | H377-R406 PolarHBondContact NE2-O 2.81Å; P401-R406 CarbonylContact C-O 3.59Å; P401-R406 WeakPolarHBondContact CA-O 3.17Å; D402-R406 PolarHBondContact N-O 3.26Å; D402-R406 WeakPolarHBondContact OD1-CB 3.45Å; D402-R406 PolarHBondContact OD1-N 3.24Å; D402-R406 IonicContact OD1-NE 3.17Å; D402-R406 PolarHBondContact OD1-NE 3.02Å; D402-R406 IonicContact OD2-CZ 2.62Å; D402-R406 IonicContact OD2-NE 3.54Å; D402-R406 PolarHBondContact OD2-NE 3.1Å; D402-R406 IonicContact OD2-NH2 3.95Å; D402-R406 PolarHBondContact OD2-NH2 2.84Å; F404-R406 VanDerWaalsContact C-N 3.29Å; F404-R406 HydrophobicContact CB-CG 4.02Å; F404-R406 VanDerWaalsContact CD2-NH2 3.26Å; R406-H410 HydrophobicContact CB-CB 3.92Å; R406-D435 HydrophobicContact CG-CB 3.88Å; R406-Y444 VanDerWaalsContact CD-OH 3.22Å; R406-Y444 WeakPolarHBondContact CD-OH 3.49Å | ||
| 407 | T | 95.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | trans | -85.4 | 171.2 | 172.7 | 66.1 | 0 | 0 | 0 | 0 | 111.8 | H377 L409 H410 A411 R433 | H377-T407 VanDerWaalsContact CD2-C 3.44Å; T407-L409 PolarHBondContact O-N 3.47Å; T407-L409 PolarHBondContact OG1-N 3.05Å; T407-H410 PolarHBondContact N-ND1 3.02Å; T407-H410 VanDerWaalsContact N-ND1 3.14Å; T407-H410 WeakPolarHBondContact O-CB 3.31Å; T407-H410 PolarHBondContact O-N 3.44Å; T407-H410 PolarHBondContact OG1-ND1 3.38Å; T407-A411 PolarHBondContact O-N 2.99Å; T407-R433 HydrophobicContact CG2-CB 4.09Å; T407-R433 HydrophobicContact CG2-CG 4.26Å | ||
| 408 | C | 94 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.6 | -24.1 | 175.7 | 61.8 | 0 | 0 | 0 | 0 | 112.5 | L376 H377 A380 I398 A411 A412 L424 | L376-C408 HydrophobicContact CD2-CB 4.28Å; L376-C408 HydrophobicContact CG-CB 4.15Å; H377-C408 PolarHBondContact CD2-N 3.32Å; H377-C408 VanDerWaalsContact CD2-N 3.35Å; H377-C408 PolarHBondContact NE2-N 3.27Å; H377-C408 VanDerWaalsContact NE2-N 3.1Å; A380-C408 HydrophobicContact CB-CB 4.4Å; I398-C408 PolarHBondContact O-SG 2.87Å; C408-A411 WeakPolarHBondContact O-CB 3.25Å; C408-A411 PolarHBondContact O-N 2.94Å; C408-A412 PolarHBondContact O-N 3.34Å; C408-L424 HydrophobicContact CB-CD1 4.24Å; C408-L424 VanDerWaalsContact SG-CD2 3.5Å |
| 409 | L | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.4 | -38.2 | 173.6 | -169.9 | 63.4 | 0 | 0 | 0 | 111.9 | T407 A411 A412 A413 L421 L424 L425 A429 F431 P441 L457 | T407-L409 PolarHBondContact O-N 3.47Å; T407-L409 PolarHBondContact OG1-N 3.05Å; L409-A411 VanDerWaalsContact C-N 3.3Å; L409-A411 PolarHBondContact O-N 3.07Å; L409-A412 PolarHBondContact O-N 3.36Å; L409-A413 VanDerWaalsContact O-CB 3.3Å; L409-A413 WeakPolarHBondContact O-CB 3.13Å; L409-A413 PolarHBondContact O-N 3.49Å; L409-L421 HydrophobicContact CD1-CD1 3.96Å; L409-L421 HydrophobicContact CD1-CG 3.83Å; L409-L424 HydrophobicContact CD1-CB 4.1Å; L409-L424 HydrophobicContact CD1-CD1 4.43Å; L409-L425 HydrophobicContact CD1-CD2 4.14Å; L409-L425 HydrophobicContact CD1-CG 4.12Å; L409-L425 HydrophobicContact CD2-CD2 3.91Å; L409-A429 HydrophobicContact CB-CB 4.42Å; L409-A429 HydrophobicContact CD2-CB 4.19Å; L409-F431 HydrophobicContact CD2-CB 3.74Å; L409-P441 HydrophobicContact CB-CG 4.36Å; L409-P441 HydrophobicContact CD2-CB 4.5Å; L409-P441 HydrophobicContact CD2-CG 4.04Å; L409-P441 HydrophobicContact CG-CB 4.18Å; L409-P441 HydrophobicContact CG-CG 4.03Å; L409-L457 HydrophobicContact CD2-CD2 4.32Å |
| 410 | H | 96.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 170.1 | -68.2 | 82.2 | 0 | 0 | 0 | 110.9 | R406 T407 A413 A414 R433 R439 P441 Y444 | R406-H410 HydrophobicContact CB-CB 3.92Å; T407-H410 PolarHBondContact N-ND1 3.02Å; T407-H410 VanDerWaalsContact N-ND1 3.14Å; T407-H410 WeakPolarHBondContact O-CB 3.31Å; T407-H410 PolarHBondContact O-N 3.44Å; T407-H410 PolarHBondContact OG1-ND1 3.38Å; H410-A413 PolarHBondContact O-N 3.44Å; H410-A414 VanDerWaalsContact O-CB 3.27Å; H410-A414 WeakPolarHBondContact O-CB 3.46Å; H410-A414 PolarHBondContact O-N 3.13Å; H410-R433 PolarHBondContact CE1-O 3Å; H410-R433 PolarHBondContact NE2-O 3.46Å; H410-R439 PolarHBondContact NE2-O 3.47Å; H410-R439 VanDerWaalsContact NE2-O 3.15Å; H410-P441 WeakPolarHBondContact NE2-CD 3.38Å; H410-Y444 AromaticContact CD2-CD2 3.7Å; H410-Y444 AromaticContact CD2-CE2 3.69Å |
| 411 | A | 95.3 | Very high | 94.4 | Very high | 10 Ų | 10 | 27.4 Ų | 27.4 | 8% | 0.083 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.3 | -44.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H377 A380 L381 T407 C408 L409 A414 G415 | H377-A411 HydrophobicContact CB-CB 4.47Å; H377-A411 WeakPolarHBondContact O-CB 3.22Å; A380-A411 HydrophobicContact CB-CB 4.42Å; L381-A411 HydrophobicContact CB-CB 4.19Å; L381-A411 WeakPolarHBondContact CD1-O 3.32Å; T407-A411 PolarHBondContact O-N 2.99Å; C408-A411 WeakPolarHBondContact O-CB 3.25Å; C408-A411 PolarHBondContact O-N 2.94Å; L409-A411 VanDerWaalsContact C-N 3.3Å; L409-A411 PolarHBondContact O-N 3.07Å; A411-A414 PolarHBondContact O-N 2.93Å; A411-G415 PolarHBondContact O-N 3.35Å |
| 412 | A | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A380 C408 L409 G415 G416 N417 C420 L421 L424 | A380-A412 HydrophobicContact CB-CB 4.22Å; C408-A412 PolarHBondContact O-N 3.34Å; L409-A412 PolarHBondContact O-N 3.36Å; A412-G415 PolarHBondContact O-N 3.1Å; A412-G416 PolarHBondContact O-N 3Å; A412-N417 PolarHBondContact O-N 3.38Å; A412-C420 HydrophobicContact CB-CB 4.26Å; A412-L421 HydrophobicContact CB-CB 4.11Å; A412-L421 HydrophobicContact CB-CD1 4.47Å; A412-L424 HydrophobicContact CB-CD1 3.94Å |
| 413 | A | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L409 H410 G416 L421 P441 A445 N450 L457 | L409-A413 VanDerWaalsContact O-CB 3.3Å; L409-A413 WeakPolarHBondContact O-CB 3.13Å; L409-A413 PolarHBondContact O-N 3.49Å; H410-A413 PolarHBondContact O-N 3.44Å; A413-G416 PolarHBondContact O-N 3.28Å; A413-L421 HydrophobicContact CB-CD1 4.01Å; A413-P441 HydrophobicContact CB-CB 4Å; A413-P441 VanDerWaalsContact CB-O 3.32Å; A413-P441 WeakPolarHBondContact CB-O 3.29Å; A413-A445 HydrophobicContact CB-CB 4.25Å; A413-N450 PolarHBondContact O-ND2 3.37Å; A413-L457 HydrophobicContact CB-CD1 4.13Å |
| 414 | A | 93.7 | Very high | 94.5 | Very high | 19 Ų | 19 | 23.7 Ų | 23.7 | 16% | 0.157 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.3 | -42.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L381 H410 A411 G416 Y444 N448 N450 | L381-A414 HydrophobicContact CD1-CB 4.3Å; H410-A414 VanDerWaalsContact O-CB 3.27Å; H410-A414 WeakPolarHBondContact O-CB 3.46Å; H410-A414 PolarHBondContact O-N 3.13Å; A411-A414 PolarHBondContact O-N 2.93Å; A414-G416 VanDerWaalsContact C-N 3.28Å; A414-G416 PolarHBondContact O-N 3.34Å; A414-Y444 HydrophobicContact CB-CD1 3.88Å; A414-Y444 HydrophobicContact CB-CG 4.4Å; A414-N448 WeakPolarHBondContact CA-ND2 3.42Å; A414-N448 PolarHBondContact O-ND2 2.7Å; A414-N450 PolarHBondContact O-ND2 2.96Å; A414-N450 VanDerWaalsContact O-ND2 3.09Å |
| 415 | G | 89.1 | Confident | 94.4 | Very high | 30 Ų | 30 | 21.4 Ų | 21.4 | 31% | 0.309 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -72 | -17.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A411 A412 N417 | A411-G415 PolarHBondContact O-N 3.35Å; A412-G415 PolarHBondContact O-N 3.1Å; G415-N417 VanDerWaalsContact C-N 3.34Å |
| 416 | G | 90.4 | Very high | 94.4 | Very high | 20 Ų | 20 | 27.7 Ų | 27.7 | 21% | 0.206 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 20.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A412 A413 A414 L418 N450 | A412-G416 PolarHBondContact O-N 3Å; A413-G416 PolarHBondContact O-N 3.28Å; A414-G416 VanDerWaalsContact C-N 3.28Å; A414-G416 PolarHBondContact O-N 3.34Å; G416-L418 PolarHBondContact O-N 3.49Å; G416-N450 WeakPolarHBondContact CA-ND2 3.3Å; G416-N450 PolarHBondContact N-ND2 3Å; G416-N450 VanDerWaalsContact N-ND2 3.16Å |
| 417 | N | 93.8 | Very high | 94.2 | Very high | 38 Ų | 38 | 28.7 Ų | 28.7 | 20% | 0.203 | 17% | 0.167 | C | C | . | . | trans | -93 | 87.7 | -171 | -57.8 | -54.1 | 0 | 0 | 0 | 111.3 | A380 L381 G383 A412 G415 E419 C420 L421 | A380-N417 PolarHBondContact O-ND2 3.29Å; L381-N417 VanDerWaalsContact C-ND2 3.29Å; L381-N417 PolarHBondContact O-ND2 2.73Å; G383-N417 VanDerWaalsContact CA-ND2 3.31Å; G383-N417 WeakPolarHBondContact CA-ND2 3.43Å; G383-N417 WeakPolarHBondContact CA-OD1 3.46Å; G383-N417 PolarHBondContact N-ND2 3.29Å; G383-N417 VanDerWaalsContact N-ND2 3.14Å; A412-N417 PolarHBondContact O-N 3.38Å; G415-N417 VanDerWaalsContact C-N 3.34Å; N417-E419 VanDerWaalsContact C-N 3.33Å; N417-E419 PolarHBondContact O-N 3.46Å; N417-C420 HydrophobicContact CB-CB 4.04Å; N417-C420 PolarHBondContact O-N 3.03Å; N417-L421 WeakPolarHBondContact O-CB 3.41Å; N417-L421 PolarHBondContact O-N 3.03Å | ||
| 418 | L | 93.3 | Very high | 93.9 | Very high | 42 Ų | 42 | 31.1 Ų | 31.1 | 22% | 0.22 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.8 | -44.2 | -176.8 | 179.6 | 66 | 0 | 0 | 0 | 113 | G416 C420 L421 N422 Q452 A456 | G416-L418 PolarHBondContact O-N 3.49Å; L418-C420 VanDerWaalsContact C-N 3.34Å; L418-C420 PolarHBondContact O-N 3.05Å; L418-L421 PolarHBondContact O-N 3.41Å; L418-N422 WeakPolarHBondContact O-CB 3.4Å; L418-N422 PolarHBondContact O-N 2.9Å; L418-Q452 HydrophobicContact CB-CB 4.32Å; L418-Q452 HydrophobicContact CD1-CB 4.34Å; L418-Q452 HydrophobicContact CD2-CB 4.18Å; L418-A456 HydrophobicContact CD1-CB 3.83Å |
| 419 | E | 95.2 | Very high | 93.9 | Very high | 125 Ų | 125 | 31.4 Ų | 31.4 | 58% | 0.584 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -63.6 | -39.9 | -178.7 | -64.1 | -55.9 | 136.7 | 0 | 0 | 112.3 | N417 L423 | N417-E419 VanDerWaalsContact C-N 3.33Å; N417-E419 PolarHBondContact O-N 3.46Å; E419-L423 VanDerWaalsContact O-CB 3.32Å; E419-L423 WeakPolarHBondContact O-CB 3.48Å; E419-L423 PolarHBondContact O-N 3.27Å |
| 420 | C | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.2 | -44.8 | 174.2 | -67.1 | 0 | 0 | 0 | 0 | 110.5 | S385 A412 N417 L418 L423 L424 | S385-C420 VanDerWaalsContact CA-SG 3.56Å; S385-C420 PolarHBondContact N-SG 3.49Å; S385-C420 VanDerWaalsContact N-SG 3.37Å; A412-C420 HydrophobicContact CB-CB 4.26Å; N417-C420 HydrophobicContact CB-CB 4.04Å; N417-C420 PolarHBondContact O-N 3.03Å; L418-C420 VanDerWaalsContact C-N 3.34Å; L418-C420 PolarHBondContact O-N 3.05Å; C420-L423 WeakPolarHBondContact O-CB 3.38Å; C420-L423 PolarHBondContact O-N 3.43Å; C420-L424 WeakPolarHBondContact O-CB 3.3Å; C420-L424 WeakPolarHBondContact O-CG 3.43Å; C420-L424 PolarHBondContact O-N 3.36Å |
| 421 | L | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 179.1 | -174 | 128.4 | 0 | 0 | 0 | 111.8 | L409 A412 A413 N417 L418 L423 L424 L425 C453 A456 L457 | L409-L421 HydrophobicContact CD1-CD1 3.96Å; L409-L421 HydrophobicContact CD1-CG 3.83Å; A412-L421 HydrophobicContact CB-CB 4.11Å; A412-L421 HydrophobicContact CB-CD1 4.47Å; A413-L421 HydrophobicContact CB-CD1 4.01Å; N417-L421 WeakPolarHBondContact O-CB 3.41Å; N417-L421 PolarHBondContact O-N 3.03Å; L418-L421 PolarHBondContact O-N 3.41Å; L421-L423 PolarHBondContact O-N 3.33Å; L421-L424 PolarHBondContact O-N 2.86Å; L421-L425 HydrophobicContact CD2-CD1 3.57Å; L421-L425 HydrophobicContact CD2-CG 4.47Å; L421-L425 HydrophobicContact CG-CD1 4.18Å; L421-L425 WeakPolarHBondContact O-CG 3.38Å; L421-L425 PolarHBondContact O-N 3.11Å; L421-C453 HydrophobicContact CD1-CB 3.96Å; L421-A456 HydrophobicContact CD2-CB 3.55Å; L421-L457 HydrophobicContact CD1-CD1 4.14Å; L421-L457 HydrophobicContact CD1-CD2 4.22Å; L421-L457 HydrophobicContact CD1-CG 4.08Å; L421-L457 HydrophobicContact CD2-CG 4.35Å |
| 422 | N | 95.4 | Very high | 93.4 | Very high | 53 Ų | 53 | 39 Ų | 39 | 28% | 0.283 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 176 | -74.5 | -17.8 | 0 | 0 | 0 | 111.9 | L418 L424 L425 N426 | L418-N422 WeakPolarHBondContact O-CB 3.4Å; L418-N422 PolarHBondContact O-N 2.9Å; N422-L424 VanDerWaalsContact C-N 3.33Å; N422-L424 PolarHBondContact O-N 3.28Å; N422-L425 PolarHBondContact O-N 2.62Å; N422-N426 VanDerWaalsContact O-CB 3.23Å; N422-N426 WeakPolarHBondContact O-CB 3.38Å; N422-N426 PolarHBondContact O-N 2.62Å; N422-N426 PolarHBondContact O-ND2 3.37Å; N422-N426 VanDerWaalsContact O-ND2 3.09Å |
| 423 | L | 95 | Very high | 93.3 | Very high | 16 Ų | 16 | 44.9 Ų | 44.9 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 174.3 | 178.2 | 66.7 | 0 | 0 | 0 | 111.3 | S385 C388 R389 L392 E419 C420 L421 T427 | S385-L423 VanDerWaalsContact O-CD2 3.32Å; S385-L423 WeakPolarHBondContact O-CD2 3.32Å; C388-L423 HydrophobicContact CB-CD2 3.85Å; R389-L423 HydrophobicContact CB-CD2 4.08Å; L392-L423 HydrophobicContact CD1-CD2 4.43Å; L392-L423 HydrophobicContact CD1-CG 4.46Å; E419-L423 VanDerWaalsContact O-CB 3.32Å; E419-L423 WeakPolarHBondContact O-CB 3.48Å; E419-L423 PolarHBondContact O-N 3.27Å; C420-L423 WeakPolarHBondContact O-CB 3.38Å; C420-L423 PolarHBondContact O-N 3.43Å; L421-L423 PolarHBondContact O-N 3.33Å; L423-T427 WeakPolarHBondContact O-CB 3.4Å; L423-T427 WeakPolarHBondContact O-CG2 3.2Å; L423-T427 PolarHBondContact O-N 2.72Å; L423-T427 PolarHBondContact O-OG1 3.06Å |
| 424 | L | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 179.6 | -67.1 | 171.7 | 0 | 0 | 0 | 111.8 | A380 L392 I398 C408 L409 A412 C420 L421 N422 T427 G428 A429 | A380-L424 HydrophobicContact CB-CD1 4.24Å; L392-L424 HydrophobicContact CD1-CD2 4.13Å; I398-L424 HydrophobicContact CD1-CB 4.3Å; I398-L424 HydrophobicContact CD1-CD2 3.67Å; I398-L424 HydrophobicContact CG1-CD2 3.93Å; C408-L424 HydrophobicContact CB-CD1 4.24Å; C408-L424 VanDerWaalsContact SG-CD2 3.5Å; L409-L424 HydrophobicContact CD1-CB 4.1Å; L409-L424 HydrophobicContact CD1-CD1 4.43Å; A412-L424 HydrophobicContact CB-CD1 3.94Å; C420-L424 WeakPolarHBondContact O-CB 3.3Å; C420-L424 WeakPolarHBondContact O-CG 3.43Å; C420-L424 PolarHBondContact O-N 3.36Å; L421-L424 PolarHBondContact O-N 2.86Å; N422-L424 VanDerWaalsContact C-N 3.33Å; N422-L424 PolarHBondContact O-N 3.28Å; L424-T427 VanDerWaalsContact CA-OG1 3.31Å; L424-T427 WeakPolarHBondContact CA-OG1 3.45Å; L424-T427 PolarHBondContact O-N 2.95Å; L424-T427 PolarHBondContact O-OG1 3.27Å; L424-G428 PolarHBondContact O-N 3.4Å; L424-A429 HydrophobicContact CB-CB 4.07Å; L424-A429 WeakPolarHBondContact O-CB 3.22Å; L424-A429 PolarHBondContact O-N 3.42Å |
| 425 | L | 93.9 | Very high | 93.4 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 175.8 | -69.7 | 172.2 | 0 | 0 | 0 | 111.8 | L409 L421 N422 T427 G428 F431 | L409-L425 HydrophobicContact CD1-CD2 4.14Å; L409-L425 HydrophobicContact CD1-CG 4.12Å; L409-L425 HydrophobicContact CD2-CD2 3.91Å; L421-L425 HydrophobicContact CD2-CD1 3.57Å; L421-L425 HydrophobicContact CD2-CG 4.47Å; L421-L425 HydrophobicContact CG-CD1 4.18Å; L421-L425 WeakPolarHBondContact O-CG 3.38Å; L421-L425 PolarHBondContact O-N 3.11Å; N422-L425 PolarHBondContact O-N 2.62Å; L425-T427 PolarHBondContact O-N 3.39Å; L425-G428 PolarHBondContact O-N 3.42Å; L425-F431 HydrophobicContact CD2-CB 4.22Å; L425-F431 HydrophobicContact CD2-CD1 4.07Å |
| 426 | N | 92.7 | Very high | 93.7 | Very high | 143 Ų | 143 | 52.3 Ų | 52.3 | 77% | 0.765 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66.4 | -23.5 | 177.7 | -72.2 | -26.6 | 0 | 0 | 0 | 113.3 | N422 G428 | N422-N426 VanDerWaalsContact O-CB 3.23Å; N422-N426 WeakPolarHBondContact O-CB 3.38Å; N422-N426 PolarHBondContact O-N 2.62Å; N422-N426 PolarHBondContact O-ND2 3.37Å; N422-N426 VanDerWaalsContact O-ND2 3.09Å; N426-G428 VanDerWaalsContact C-N 3.33Å |
| 427 | T | 91.4 | Very high | 93.9 | Very high | 75 Ų | 75 | 55.9 Ų | 55.9 | 46% | 0.46 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -2.7 | 175 | 45 | 0 | 0 | 0 | 0 | 113 | L392 I398 L423 L424 L425 | L392-T427 HydrophobicContact CD1-CG2 4.37Å; I398-T427 WeakPolarHBondContact CD1-OG1 3.49Å; L423-T427 WeakPolarHBondContact O-CB 3.4Å; L423-T427 WeakPolarHBondContact O-CG2 3.2Å; L423-T427 PolarHBondContact O-N 2.72Å; L423-T427 PolarHBondContact O-OG1 3.06Å; L424-T427 VanDerWaalsContact CA-OG1 3.31Å; L424-T427 WeakPolarHBondContact CA-OG1 3.45Å; L424-T427 PolarHBondContact O-N 2.95Å; L424-T427 PolarHBondContact O-OG1 3.27Å; L425-T427 PolarHBondContact O-N 3.39Å |
| 428 | G | 90.6 | Very high | 93.9 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 56% | 0.557 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.5 | 20.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L424 L425 N426 | L424-G428 PolarHBondContact O-N 3.4Å; L425-G428 PolarHBondContact O-N 3.42Å; N426-G428 VanDerWaalsContact C-N 3.33Å |
| 429 | A | 93.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 5% | 0.05 | 29% | 0.289 | C | S | . | . | trans | -60.8 | 136 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | I398 L409 L424 F431 | I398-A429 HydrophobicContact CD1-CB 3.71Å; I398-A429 HydrophobicContact CG1-CB 3.97Å; L409-A429 HydrophobicContact CB-CB 4.42Å; L409-A429 HydrophobicContact CD2-CB 4.19Å; L424-A429 HydrophobicContact CB-CB 4.07Å; L424-A429 WeakPolarHBondContact O-CB 3.22Å; L424-A429 PolarHBondContact O-N 3.42Å; A429-F431 PolarHBondContact O-N 2.89Å | ||
| 430 | D | 93.1 | Very high | 94.1 | Very high | 47 Ų | 47 | 49.2 Ų | 49.2 | 25% | 0.251 | 26% | 0.262 | S | S | . | . | trans | -82.3 | 110.4 | -179.7 | 179.6 | 7.8 | 0 | 0 | 0 | 111.3 | D399 S432 R433 | D399-D430 PolarHBondContact OD1-N 2.86Å; D399-D430 WeakPolarHBondContact OD2-CB 3.38Å; D430-S432 VanDerWaalsContact C-N 3.27Å; D430-S432 PolarHBondContact O-N 2.94Å; D430-S432 WeakPolarHBondContact OD1-CA 3.49Å; D430-S432 WeakPolarHBondContact OD1-CB 3.34Å; D430-S432 PolarHBondContact OD1-N 3.33Å; D430-S432 PolarHBondContact OD1-OG 3.25Å; D430-S432 PolarHBondContact OD2-OG 3.48Å; D430-R433 HydrophobicContact CB-CG 3.79Å; D430-R433 VanDerWaalsContact OD2-CD 3.32Å; D430-R433 WeakPolarHBondContact OD2-CD 3.36Å; D430-R433 WeakPolarHBondContact OD2-CG 3.47Å; D430-R433 IonicContact OD2-NE 2.8Å; D430-R433 PolarHBondContact OD2-NE 3.15Å; D430-R433 VanDerWaalsContact OD2-NE 3.1Å | ||
| 431 | F | 92.2 | Very high | 94.2 | Very high | 60 Ų | 60 | 49.2 Ų | 49.2 | 26% | 0.263 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -8.2 | 177.7 | 58.5 | -100.6 | 0 | 0 | 0 | 114.1 | L409 L425 A429 P441 L457 S460 A462 | L409-F431 HydrophobicContact CD2-CB 3.74Å; L425-F431 HydrophobicContact CD2-CB 4.22Å; L425-F431 HydrophobicContact CD2-CD1 4.07Å; A429-F431 PolarHBondContact O-N 2.89Å; F431-P441 WeakPolarHBondContact O-CD 3.2Å; F431-L457 HydrophobicContact CB-CD2 4.05Å; F431-S460 WeakPolarHBondContact CE1-O 3.41Å; F431-S460 WeakPolarHBondContact CZ-O 3.44Å; F431-A462 HydrophobicContact CD2-CB 3.92Å; F431-A462 HydrophobicContact CE2-CB 4.45Å |
| 432 | S | 91.6 | Very high | 94.2 | Very high | 65 Ų | 65 | 49.2 Ų | 49.2 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -9.3 | 177.6 | 76.6 | 0 | 0 | 0 | 0 | 113.4 | D430 K434 | D430-S432 VanDerWaalsContact C-N 3.27Å; D430-S432 PolarHBondContact O-N 2.94Å; D430-S432 WeakPolarHBondContact OD1-CA 3.49Å; D430-S432 WeakPolarHBondContact OD1-CB 3.34Å; D430-S432 PolarHBondContact OD1-N 3.33Å; D430-S432 PolarHBondContact OD1-OG 3.25Å; D430-S432 PolarHBondContact OD2-OG 3.48Å; S432-K434 PolarHBondContact O-N 2.71Å |
| 433 | R | 93.7 | Very high | 94.2 | Very high | 123 Ų | 123 | 46.8 Ų | 46.8 | 46% | 0.464 | 25% | 0.249 | S | C | . | . | trans | -58.3 | 134.3 | 176.7 | -67.5 | -61.1 | -172.2 | 137.4 | 11.7 | 110.8 | T407 H410 D430 | T407-R433 HydrophobicContact CG2-CB 4.09Å; T407-R433 HydrophobicContact CG2-CG 4.26Å; H410-R433 PolarHBondContact CE1-O 3Å; H410-R433 PolarHBondContact NE2-O 3.46Å; D430-R433 HydrophobicContact CB-CG 3.79Å; D430-R433 VanDerWaalsContact OD2-CD 3.32Å; D430-R433 WeakPolarHBondContact OD2-CD 3.36Å; D430-R433 WeakPolarHBondContact OD2-CG 3.47Å; D430-R433 IonicContact OD2-NE 2.8Å; D430-R433 PolarHBondContact OD2-NE 3.15Å; D430-R433 VanDerWaalsContact OD2-NE 3.1Å | ||
| 434 | K | 94.8 | Very high | 94.2 | Very high | 100 Ų | 100 | 47.5 Ų | 47.5 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | trans | -105.3 | 140.4 | 176.2 | -67.5 | -177.2 | 174.3 | -157.7 | 0 | 110.1 | S432 G438 R439 T440 L467 | S432-K434 PolarHBondContact O-N 2.71Å; K434-G438 VanDerWaalsContact CD-O 3.3Å; K434-G438 WeakPolarHBondContact CD-O 3.45Å; K434-R439 CarbonylContact C-O 3.6Å; K434-R439 WeakPolarHBondContact CA-O 3.45Å; K434-T440 HydrophobicContact CG-CG2 3.9Å; K434-L467 PolarHBondContact NZ-O 2.96Å | ||
| 435 | D | 95.5 | Very high | 94.1 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | trans | -71.1 | 180 | 168.9 | 80.9 | -10.2 | 0 | 0 | 0 | 111.6 | F404 R406 F437 G438 R439 Y444 | F404-D435 WeakPolarHBondContact O-CB 3.47Å; R406-D435 HydrophobicContact CG-CB 3.88Å; D435-F437 PolarHBondContact O-N 2.86Å; D435-F437 VanDerWaalsContact OD1-C 3.29Å; D435-F437 WeakPolarHBondContact OD1-CA 3.26Å; D435-F437 WeakPolarHBondContact OD1-CB 3.19Å; D435-F437 PolarHBondContact OD1-N 3.07Å; D435-G438 PolarHBondContact O-N 2.8Å; D435-G438 PolarHBondContact OD1-N 3.11Å; D435-G438 VanDerWaalsContact OD1-N 3.1Å; D435-R439 PolarHBondContact N-O 2.88Å; D435-R439 WeakPolarHBondContact OD1-CB 3.38Å; D435-R439 PolarHBondContact OD1-N 2.84Å; D435-R439 IonicContact OD1-NE 2.67Å; D435-R439 IonicContact OD2-CZ 3.65Å; D435-R439 IonicContact OD2-NE 3.85Å; D435-R439 PolarHBondContact OD2-NE 3.16Å; D435-R439 IonicContact OD2-NH2 3.1Å; D435-R439 PolarHBondContact OD2-NH2 2.86Å; D435-Y444 PolarHBondContact OD2-OH 3.07Å | ||
| 436 | N | 95.6 | Very high | 94 | Very high | 96 Ų | 96 | 46.2 Ų | 46.2 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -11.5 | 179.6 | -66.9 | -7.9 | 0 | 0 | 0 | 113.8 | D403 F404 G405 | D403-N436 PolarHBondContact O-ND2 3.22Å; D403-N436 VanDerWaalsContact O-ND2 3.12Å; F404-N436 VanDerWaalsContact C-ND2 3.26Å; F404-N436 WeakPolarHBondContact CA-ND2 3.43Å; F404-N436 WeakPolarHBondContact O-CB 3.43Å; F404-N436 PolarHBondContact O-N 2.83Å; F404-N436 PolarHBondContact O-ND2 3.14Å; F404-N436 PolarHBondContact O-OD1 2.94Å; G405-N436 WeakPolarHBondContact CA-OD1 3.4Å |
| 437 | F | 94.8 | Very high | 93.9 | Very high | 96 Ų | 96 | 40.5 Ų | 40.5 | 42% | 0.421 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 11 | 176.5 | -56.2 | -84.9 | 0 | 0 | 0 | 111.9 | F404 D435 R439 E469 | F404-F437 HydrophobicContact CD1-CE2 4.37Å; D435-F437 PolarHBondContact O-N 2.86Å; D435-F437 VanDerWaalsContact OD1-C 3.29Å; D435-F437 WeakPolarHBondContact OD1-CA 3.26Å; D435-F437 WeakPolarHBondContact OD1-CB 3.19Å; D435-F437 PolarHBondContact OD1-N 3.07Å; F437-R439 VanDerWaalsContact C-N 3.29Å; F437-R439 HydrophobicContact CB-CG 4.32Å; F437-R439 PolarHBondContact O-N 3.41Å; F437-E469 WeakPolarHBondContact O-CB 3.42Å; F437-E469 WeakPolarHBondContact O-CG 3.5Å; F437-E469 PolarHBondContact O-N 3.24Å |
| 438 | G | 94.6 | Very high | 93.8 | Very high | 11 Ų | 11 | 41 Ų | 41 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 77.6 | 7.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K434 D435 D468 | K434-G438 VanDerWaalsContact CD-O 3.3Å; K434-G438 WeakPolarHBondContact CD-O 3.45Å; D435-G438 PolarHBondContact O-N 2.8Å; D435-G438 PolarHBondContact OD1-N 3.11Å; D435-G438 VanDerWaalsContact OD1-N 3.1Å; G438-D468 WeakPolarHBondContact O-CA 3.23Å |
| 439 | R | 96.3 | Very high | 93.6 | Very high | 52 Ų | 52 | 40.5 Ų | 40.5 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | trans | -86.8 | 136.3 | -176.1 | -59.9 | 176 | -63.7 | -156.3 | -5.3 | 110.7 | H410 K434 D435 F437 H443 Y444 D468 | H410-R439 PolarHBondContact NE2-O 3.47Å; H410-R439 VanDerWaalsContact NE2-O 3.15Å; K434-R439 CarbonylContact C-O 3.6Å; K434-R439 WeakPolarHBondContact CA-O 3.45Å; D435-R439 PolarHBondContact N-O 2.88Å; D435-R439 WeakPolarHBondContact OD1-CB 3.38Å; D435-R439 PolarHBondContact OD1-N 2.84Å; D435-R439 IonicContact OD1-NE 2.67Å; D435-R439 IonicContact OD2-CZ 3.65Å; D435-R439 IonicContact OD2-NE 3.85Å; D435-R439 PolarHBondContact OD2-NE 3.16Å; D435-R439 IonicContact OD2-NH2 3.1Å; D435-R439 PolarHBondContact OD2-NH2 2.86Å; F437-R439 VanDerWaalsContact C-N 3.29Å; F437-R439 HydrophobicContact CB-CG 4.32Å; F437-R439 PolarHBondContact O-N 3.41Å; R439-H443 HydrophobicContact CB-CB 3.99Å; R439-H443 HydrophobicContact CG-CB 4.43Å; R439-Y444 HydrophobicContact CB-CE2 4.12Å; R439-Y444 PolarHBondContact NH2-OH 2.98Å; R439-D468 HydrophobicContact CG-CB 3.72Å | ||
| 440 | T | 96.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | trans | -88.9 | 167.5 | 172.4 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | K434 L442 H443 D466 | K434-T440 HydrophobicContact CG-CG2 3.9Å; T440-L442 PolarHBondContact O-N 3.19Å; T440-L442 VanDerWaalsContact O-N 3.1Å; T440-H443 PolarHBondContact N-ND1 3.14Å; T440-H443 VanDerWaalsContact N-ND1 3.14Å; T440-H443 WeakPolarHBondContact O-CB 3.25Å; T440-H443 PolarHBondContact O-N 2.76Å; T440-H443 PolarHBondContact OG1-ND1 2.91Å; T440-D466 HydrophobicContact CG2-CB 4.34Å | ||
| 441 | P | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.6 | -30.1 | 172.9 | -26.2 | 35.2 | 0 | 0 | 0 | 113.2 | L409 H410 A413 F431 H443 Y444 A445 L457 | L409-P441 HydrophobicContact CB-CG 4.36Å; L409-P441 HydrophobicContact CD2-CB 4.5Å; L409-P441 HydrophobicContact CD2-CG 4.04Å; L409-P441 HydrophobicContact CG-CB 4.18Å; L409-P441 HydrophobicContact CG-CG 4.03Å; H410-P441 WeakPolarHBondContact NE2-CD 3.38Å; A413-P441 HydrophobicContact CB-CB 4Å; A413-P441 VanDerWaalsContact CB-O 3.32Å; A413-P441 WeakPolarHBondContact CB-O 3.29Å; F431-P441 WeakPolarHBondContact O-CD 3.2Å; P441-H443 VanDerWaalsContact C-N 3.33Å; P441-H443 PolarHBondContact O-N 3.12Å; P441-Y444 PolarHBondContact O-N 2.88Å; P441-A445 PolarHBondContact O-N 2.84Å; P441-L457 HydrophobicContact CB-CD1 4.06Å; P441-L457 HydrophobicContact CB-CD2 4.25Å |
| 442 | L | 95.8 | Very high | 93 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -36.7 | 177.2 | -174.5 | 60.5 | 0 | 0 | 0 | 112.5 | T440 Y444 A445 A446 L454 L457 V458 A462 P474 | T440-L442 PolarHBondContact O-N 3.19Å; T440-L442 VanDerWaalsContact O-N 3.1Å; L442-Y444 VanDerWaalsContact C-N 3.32Å; L442-Y444 PolarHBondContact O-N 2.86Å; L442-A445 PolarHBondContact O-N 3.23Å; L442-A446 WeakPolarHBondContact O-CB 3.31Å; L442-A446 PolarHBondContact O-N 3.3Å; L442-L454 HydrophobicContact CD1-CB 4.44Å; L442-L454 HydrophobicContact CD1-CD1 4.39Å; L442-L454 HydrophobicContact CD1-CG 3.77Å; L442-L457 HydrophobicContact CB-CD1 4.46Å; L442-L457 HydrophobicContact CD1-CB 4.15Å; L442-L457 HydrophobicContact CD1-CD1 4.46Å; L442-V458 HydrophobicContact CD1-CG2 3.8Å; L442-V458 HydrophobicContact CD2-CG2 4.11Å; L442-A462 HydrophobicContact CB-CB 4.47Å; L442-A462 HydrophobicContact CD2-CB 4.13Å; L442-P474 HydrophobicContact CB-CG 4.37Å; L442-P474 HydrophobicContact CD2-CB 4.35Å; L442-P474 HydrophobicContact CD2-CG 3.91Å; L442-P474 HydrophobicContact CG-CB 4.02Å; L442-P474 HydrophobicContact CG-CG 3.87Å |
| 443 | H | 95.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62 | -40.8 | 174.7 | -69.5 | 79.9 | 0 | 0 | 0 | 111.5 | R439 T440 P441 A446 A447 D466 C472 P474 Y477 | R439-H443 HydrophobicContact CB-CB 3.99Å; R439-H443 HydrophobicContact CG-CB 4.43Å; T440-H443 PolarHBondContact N-ND1 3.14Å; T440-H443 VanDerWaalsContact N-ND1 3.14Å; T440-H443 WeakPolarHBondContact O-CB 3.25Å; T440-H443 PolarHBondContact O-N 2.76Å; T440-H443 PolarHBondContact OG1-ND1 2.91Å; P441-H443 VanDerWaalsContact C-N 3.33Å; P441-H443 PolarHBondContact O-N 3.12Å; H443-A446 PolarHBondContact O-N 3.32Å; H443-A447 VanDerWaalsContact O-CB 3.26Å; H443-A447 WeakPolarHBondContact O-CB 3.47Å; H443-A447 PolarHBondContact O-N 3.38Å; H443-D466 PolarHBondContact CE1-O 3.34Å; H443-D466 VanDerWaalsContact CE1-O 3.23Å; H443-D466 PolarHBondContact NE2-O 3.35Å; H443-C472 PolarHBondContact NE2-O 3.37Å; H443-P474 WeakPolarHBondContact NE2-CD 3.44Å; H443-Y477 HydrophobicContact CB-CD2 4.49Å; H443-Y477 AromaticContact CD2-CD2 3.76Å; H443-Y477 AromaticContact CD2-CE2 3.72Å |
| 444 | Y | 94.6 | Very high | 92.9 | Very high | 31 Ų | 31 | 36.7 Ų | 36.7 | 12% | 0.122 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.9 | -41.4 | 177.4 | -79.7 | -90.7 | 0 | 0 | 0 | 112.5 | R406 H410 A414 D435 R439 P441 L442 A446 A447 N448 | R406-Y444 VanDerWaalsContact CD-OH 3.22Å; R406-Y444 WeakPolarHBondContact CD-OH 3.49Å; H410-Y444 AromaticContact CD2-CD2 3.7Å; H410-Y444 AromaticContact CD2-CE2 3.69Å; A414-Y444 HydrophobicContact CB-CD1 3.88Å; A414-Y444 HydrophobicContact CB-CG 4.4Å; D435-Y444 PolarHBondContact OD2-OH 3.07Å; R439-Y444 HydrophobicContact CB-CE2 4.12Å; R439-Y444 PolarHBondContact NH2-OH 2.98Å; P441-Y444 PolarHBondContact O-N 2.88Å; L442-Y444 VanDerWaalsContact C-N 3.32Å; L442-Y444 PolarHBondContact O-N 2.86Å; Y444-A446 VanDerWaalsContact C-N 3.31Å; Y444-A446 PolarHBondContact O-N 3.39Å; Y444-A447 PolarHBondContact O-N 3.2Å; Y444-N448 PolarHBondContact O-N 3.3Å; Y444-N448 VanDerWaalsContact O-N 3.13Å |
| 445 | A | 92.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A413 P441 L442 C449 N450 C453 L454 L457 | A413-A445 HydrophobicContact CB-CB 4.25Å; P441-A445 PolarHBondContact O-N 2.84Å; L442-A445 PolarHBondContact O-N 3.23Å; A445-C449 PolarHBondContact O-N 3.5Å; A445-N450 PolarHBondContact O-N 3.05Å; A445-C453 HydrophobicContact CB-CB 4.22Å; A445-L454 HydrophobicContact CB-CB 4.13Å; A445-L457 HydrophobicContact CB-CD1 4.12Å |
| 446 | A | 92.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.9 | -45.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L442 H443 Y444 N448 C449 L454 P474 A478 | L442-A446 WeakPolarHBondContact O-CB 3.31Å; L442-A446 PolarHBondContact O-N 3.3Å; H443-A446 PolarHBondContact O-N 3.32Å; Y444-A446 VanDerWaalsContact C-N 3.31Å; Y444-A446 PolarHBondContact O-N 3.39Å; A446-N448 VanDerWaalsContact C-N 3.28Å; A446-N448 PolarHBondContact O-N 3.36Å; A446-C449 PolarHBondContact O-N 3.03Å; A446-L454 HydrophobicContact CB-CD1 4.13Å; A446-P474 HydrophobicContact CB-CB 4.02Å; A446-P474 VanDerWaalsContact CB-O 3.29Å; A446-P474 WeakPolarHBondContact CB-O 3.34Å; A446-A478 HydrophobicContact CB-CB 4.24Å |
| 447 | A | 91.4 | Very high | 92.6 | Very high | 23 Ų | 23 | 32.4 Ų | 32.4 | 19% | 0.19 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.5 | -30.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H443 Y444 Y477 S481 | H443-A447 VanDerWaalsContact O-CB 3.26Å; H443-A447 WeakPolarHBondContact O-CB 3.47Å; H443-A447 PolarHBondContact O-N 3.38Å; Y444-A447 PolarHBondContact O-N 3.2Å; A447-Y477 HydrophobicContact CB-CD1 3.76Å; A447-Y477 HydrophobicContact CB-CG 4.22Å; A447-S481 WeakPolarHBondContact O-CB 3.32Å; A447-S481 PolarHBondContact O-OG 3.04Å |
| 448 | N | 88.6 | Confident | 92.5 | Very high | 85 Ų | 85 | 28.6 Ų | 28.6 | 46% | 0.455 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 6.5 | 178.7 | -69.3 | -15.7 | 0 | 0 | 0 | 113.3 | A414 Y444 A446 N450 | A414-N448 WeakPolarHBondContact CA-ND2 3.42Å; A414-N448 PolarHBondContact O-ND2 2.7Å; Y444-N448 PolarHBondContact O-N 3.3Å; Y444-N448 VanDerWaalsContact O-N 3.13Å; A446-N448 VanDerWaalsContact C-N 3.28Å; A446-N448 PolarHBondContact O-N 3.36Å; N448-N450 VanDerWaalsContact C-N 3.28Å; N448-N450 WeakPolarHBondContact CB-ND2 3.5Å; N448-N450 PolarHBondContact O-N 3.4Å |
| 449 | C | 86.4 | Confident | 92.4 | Very high | 43 Ų | 43 | 31.1 Ų | 31.1 | 29% | 0.291 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 34.8 | -179.2 | -57 | 0 | 0 | 0 | 0 | 114.3 | A445 A446 Y451 S481 C508 | A445-C449 PolarHBondContact O-N 3.5Å; A446-C449 PolarHBondContact O-N 3.03Å; C449-Y451 PolarHBondContact O-N 3.38Å; C449-Y451 VanDerWaalsContact O-N 3.1Å; C449-S481 VanDerWaalsContact SG-CB 3.53Å; C449-S481 PolarHBondContact SG-O 3.38Å; C449-S481 VanDerWaalsContact SG-O 3.32Å; C449-C508 VanDerWaalsContact C-SG 3.58Å |
| 450 | N | 88 | Confident | 92.1 | Very high | 36 Ų | 36 | 31.2 Ų | 31.2 | 19% | 0.193 | 18% | 0.179 | C | C | . | . | trans | -86.7 | 73.9 | -178.4 | -68.5 | -34.2 | 0 | 0 | 0 | 111.5 | A413 A414 G416 A445 N448 Q452 C453 L454 | A413-N450 PolarHBondContact O-ND2 3.37Å; A414-N450 PolarHBondContact O-ND2 2.96Å; A414-N450 VanDerWaalsContact O-ND2 3.09Å; G416-N450 WeakPolarHBondContact CA-ND2 3.3Å; G416-N450 PolarHBondContact N-ND2 3Å; G416-N450 VanDerWaalsContact N-ND2 3.16Å; A445-N450 PolarHBondContact O-N 3.05Å; N448-N450 VanDerWaalsContact C-N 3.28Å; N448-N450 WeakPolarHBondContact CB-ND2 3.5Å; N448-N450 PolarHBondContact O-N 3.4Å; N450-Q452 VanDerWaalsContact C-N 3.29Å; N450-Q452 PolarHBondContact O-N 2.97Å; N450-Q452 VanDerWaalsContact O-N 3.15Å; N450-C453 HydrophobicContact CB-CB 4.2Å; N450-C453 PolarHBondContact O-N 3.02Å; N450-C453 VanDerWaalsContact O-N 3.11Å; N450-L454 PolarHBondContact O-N 3.41Å | ||
| 451 | Y | 87.7 | Confident | 91.9 | Very high | 67 Ų | 67 | 33.7 Ų | 33.7 | 26% | 0.263 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -50.4 | -42.8 | -174.7 | 170.8 | -104.8 | 0 | 0 | 0 | 114.2 | C449 L454 F455 R507 C508 Y511 | C449-Y451 PolarHBondContact O-N 3.38Å; C449-Y451 VanDerWaalsContact O-N 3.1Å; Y451-L454 PolarHBondContact O-N 3.16Å; Y451-F455 VanDerWaalsContact O-CB 3.28Å; Y451-F455 WeakPolarHBondContact O-CB 3.17Å; Y451-F455 PolarHBondContact O-N 3.42Å; Y451-R507 HydrophobicContact CD1-CB 4.43Å; Y451-R507 HydrophobicContact CD2-CB 3.44Å; Y451-R507 VanDerWaalsContact CD2-CB 3.44Å; Y451-R507 WeakPolarHBondContact CD2-O 3.46Å; Y451-R507 HydrophobicContact CE2-CB 3.82Å; Y451-R507 HydrophobicContact CG-CB 3.77Å; Y451-C508 WeakPolarHBondContact CA-SG 3.47Å; Y451-C508 PolarHBondContact N-SG 3.41Å; Y451-C508 VanDerWaalsContact N-SG 3.41Å; Y451-Y511 HydrophobicContact CE2-CD2 4.08Å; Y451-Y511 AromaticContact CE2-CG 3.93Å; Y451-Y511 HydrophobicContact CE2-CG 3.93Å |
| 452 | Q | 89.7 | Confident | 91.8 | Very high | 118 Ų | 118 | 34.1 Ų | 34.1 | 55% | 0.551 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -65 | -42.8 | -177.9 | -70.1 | -179.7 | -12.6 | 0 | 0 | 112.4 | L418 N450 A456 | L418-Q452 HydrophobicContact CB-CB 4.32Å; L418-Q452 HydrophobicContact CD1-CB 4.34Å; L418-Q452 HydrophobicContact CD2-CB 4.18Å; N450-Q452 VanDerWaalsContact C-N 3.29Å; N450-Q452 PolarHBondContact O-N 2.97Å; N450-Q452 VanDerWaalsContact O-N 3.15Å; Q452-A456 PolarHBondContact O-N 2.93Å; Q452-A456 VanDerWaalsContact O-N 3.07Å |
| 453 | C | 91.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.9 | -40.4 | 176 | -70.6 | 0 | 0 | 0 | 0 | 111 | L421 A445 N450 A456 L457 | L421-C453 HydrophobicContact CD1-CB 3.96Å; A445-C453 HydrophobicContact CB-CB 4.22Å; N450-C453 HydrophobicContact CB-CB 4.2Å; N450-C453 PolarHBondContact O-N 3.02Å; N450-C453 VanDerWaalsContact O-N 3.11Å; C453-A456 PolarHBondContact O-N 3.36Å; C453-L457 WeakPolarHBondContact O-CB 3.18Å; C453-L457 VanDerWaalsContact O-CG 3.25Å; C453-L457 WeakPolarHBondContact O-CG 3.47Å; C453-L457 PolarHBondContact O-N 2.71Å |
| 454 | L | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.7 | -48.4 | 175 | -174.1 | 151.7 | 0 | 0 | 0 | 111.3 | L442 A445 A446 N450 Y451 A456 L457 V458 C508 Y511 L512 | L442-L454 HydrophobicContact CD1-CB 4.44Å; L442-L454 HydrophobicContact CD1-CD1 4.39Å; L442-L454 HydrophobicContact CD1-CG 3.77Å; A445-L454 HydrophobicContact CB-CB 4.13Å; A446-L454 HydrophobicContact CB-CD1 4.13Å; N450-L454 PolarHBondContact O-N 3.41Å; Y451-L454 PolarHBondContact O-N 3.16Å; L454-A456 VanDerWaalsContact C-N 3.35Å; L454-A456 PolarHBondContact O-N 2.92Å; L454-L457 PolarHBondContact O-N 3.04Å; L454-V458 HydrophobicContact CD2-CG2 4.18Å; L454-V458 WeakPolarHBondContact O-CG2 3.32Å; L454-V458 PolarHBondContact O-N 2.86Å; L454-C508 HydrophobicContact CD1-CB 3.87Å; L454-Y511 HydrophobicContact CD2-CD1 3.44Å; L454-Y511 VanDerWaalsContact CD2-CD1 3.44Å; L454-Y511 HydrophobicContact CD2-CE1 4.07Å; L454-Y511 HydrophobicContact CD2-CG 4.37Å; L454-L512 HydrophobicContact CD1-CD1 4.09Å; L454-L512 HydrophobicContact CD1-CD2 4.29Å; L454-L512 HydrophobicContact CD1-CG 4.09Å; L454-L512 HydrophobicContact CD2-CD2 4.17Å; L454-L512 HydrophobicContact CD2-CG 4.23Å; L454-L512 HydrophobicContact CG-CD2 4.45Å |
| 455 | F | 91.8 | Very high | 91.5 | Very high | 102 Ų | 102 | 37.2 Ų | 37.2 | 45% | 0.447 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.3 | -47.3 | 176 | 175.4 | -87.9 | 0 | 0 | 0 | 111.7 | Y451 G459 Y511 | Y451-F455 VanDerWaalsContact O-CB 3.28Å; Y451-F455 WeakPolarHBondContact O-CB 3.17Å; Y451-F455 PolarHBondContact O-N 3.42Å; F455-G459 PolarHBondContact O-N 3.12Å; F455-Y511 HydrophobicContact CD2-CD2 4.33Å; F455-Y511 HydrophobicContact CD2-CE1 4.22Å; F455-Y511 AromaticContact CD2-CE2 3.5Å; F455-Y511 HydrophobicContact CD2-CE2 3.5Å; F455-Y511 AromaticContact CD2-CZ 3.42Å; F455-Y511 VanDerWaalsContact CD2-CZ 3.42Å; F455-Y511 VanDerWaalsContact CD2-OH 3.32Å; F455-Y511 WeakPolarHBondContact CD2-OH 3.44Å; F455-Y511 AromaticContact CE2-CE2 3.86Å; F455-Y511 HydrophobicContact CE2-CE2 3.86Å; F455-Y511 AromaticContact CE2-CZ 3.94Å |
| 456 | A | 93.4 | Very high | 91.6 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L418 L421 Q452 C453 L454 S460 | L418-A456 HydrophobicContact CD1-CB 3.83Å; L421-A456 HydrophobicContact CD2-CB 3.55Å; Q452-A456 PolarHBondContact O-N 2.93Å; Q452-A456 VanDerWaalsContact O-N 3.07Å; C453-A456 PolarHBondContact O-N 3.36Å; L454-A456 VanDerWaalsContact C-N 3.35Å; L454-A456 PolarHBondContact O-N 2.92Å; A456-S460 WeakPolarHBondContact O-CB 3.29Å; A456-S460 PolarHBondContact O-N 2.84Å; A456-S460 PolarHBondContact O-OG 3.12Å |
| 457 | L | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.8 | -47.1 | 178.6 | -73.4 | 168.2 | 0 | 0 | 0 | 112.1 | L409 A413 L421 F431 P441 L442 A445 C453 L454 S460 G461 A462 | L409-L457 HydrophobicContact CD2-CD2 4.32Å; A413-L457 HydrophobicContact CB-CD1 4.13Å; L421-L457 HydrophobicContact CD1-CD1 4.14Å; L421-L457 HydrophobicContact CD1-CD2 4.22Å; L421-L457 HydrophobicContact CD1-CG 4.08Å; L421-L457 HydrophobicContact CD2-CG 4.35Å; F431-L457 HydrophobicContact CB-CD2 4.05Å; P441-L457 HydrophobicContact CB-CD1 4.06Å; P441-L457 HydrophobicContact CB-CD2 4.25Å; L442-L457 HydrophobicContact CB-CD1 4.46Å; L442-L457 HydrophobicContact CD1-CB 4.15Å; L442-L457 HydrophobicContact CD1-CD1 4.46Å; A445-L457 HydrophobicContact CB-CD1 4.12Å; C453-L457 WeakPolarHBondContact O-CB 3.18Å; C453-L457 VanDerWaalsContact O-CG 3.25Å; C453-L457 WeakPolarHBondContact O-CG 3.47Å; C453-L457 PolarHBondContact O-N 2.71Å; L454-L457 PolarHBondContact O-N 3.04Å; L457-S460 PolarHBondContact O-N 3.01Å; L457-S460 VanDerWaalsContact O-N 3.17Å; L457-G461 PolarHBondContact O-N 2.93Å; L457-A462 HydrophobicContact CB-CB 4.18Å; L457-A462 WeakPolarHBondContact O-CB 3.35Å; L457-A462 PolarHBondContact O-N 3.16Å |
| 458 | V | 93.9 | Very high | 91.9 | Very high | 17 Ų | 17 | 43.2 Ų | 43.2 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 176.6 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | L442 L454 S460 G461 V464 Y511 L512 N515 | L442-V458 HydrophobicContact CD1-CG2 3.8Å; L442-V458 HydrophobicContact CD2-CG2 4.11Å; L454-V458 HydrophobicContact CD2-CG2 4.18Å; L454-V458 WeakPolarHBondContact O-CG2 3.32Å; L454-V458 PolarHBondContact O-N 2.86Å; V458-S460 PolarHBondContact O-N 3.31Å; V458-G461 PolarHBondContact O-N 3.36Å; V458-V464 HydrophobicContact CG1-CG1 4.01Å; V458-V464 HydrophobicContact CG2-CG1 3.92Å; V458-Y511 HydrophobicContact CB-CE1 3.89Å; V458-Y511 HydrophobicContact CG1-CE1 3.91Å; V458-Y511 HydrophobicContact CG2-CE1 4.25Å; V458-L512 HydrophobicContact CG2-CD2 4.38Å; V458-N515 HydrophobicContact CG1-CB 4.13Å |
| 459 | G | 91.1 | Very high | 92.2 | Very high | 63 Ų | 63 | 44 Ų | 44 | 65% | 0.649 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.8 | -24.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | F455 G461 | F455-G459 PolarHBondContact O-N 3.12Å; G459-G461 VanDerWaalsContact C-N 3.33Å |
| 460 | S | 91.4 | Very high | 92.4 | Very high | 54 Ų | 54 | 47.5 Ų | 47.5 | 38% | 0.378 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -4.5 | 173.7 | -56.2 | 0 | 0 | 0 | 0 | 113.4 | F431 A456 L457 V458 | F431-S460 WeakPolarHBondContact CE1-O 3.41Å; F431-S460 WeakPolarHBondContact CZ-O 3.44Å; A456-S460 WeakPolarHBondContact O-CB 3.29Å; A456-S460 PolarHBondContact O-N 2.84Å; A456-S460 PolarHBondContact O-OG 3.12Å; L457-S460 PolarHBondContact O-N 3.01Å; L457-S460 VanDerWaalsContact O-N 3.17Å; V458-S460 PolarHBondContact O-N 3.31Å |
| 461 | G | 91 | Very high | 92.6 | Very high | 54 Ų | 54 | 46.3 Ų | 46.3 | 56% | 0.557 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | 17.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L457 V458 G459 | L457-G461 PolarHBondContact O-N 2.93Å; V458-G461 PolarHBondContact O-N 3.36Å; G459-G461 VanDerWaalsContact C-N 3.33Å |
| 462 | A | 93.4 | Very high | 93 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | trans | -63.7 | 137.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F431 L442 L457 V464 | F431-A462 HydrophobicContact CD2-CB 3.92Å; F431-A462 HydrophobicContact CE2-CB 4.45Å; L442-A462 HydrophobicContact CB-CB 4.47Å; L442-A462 HydrophobicContact CD2-CB 4.13Å; L457-A462 HydrophobicContact CB-CB 4.18Å; L457-A462 WeakPolarHBondContact O-CB 3.35Å; L457-A462 PolarHBondContact O-N 3.16Å; A462-V464 PolarHBondContact O-N 3.45Å; A462-V464 VanDerWaalsContact O-N 3.16Å | ||
| 463 | G | 93 | Very high | 93.2 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | trans | -67.8 | 109.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N465 D466 | G463-N465 PolarHBondContact O-N 2.86Å; G463-D466 WeakPolarHBondContact O-CB 3.21Å; G463-D466 PolarHBondContact O-N 3.44Å | ||
| 464 | V | 93.6 | Very high | 93.4 | Very high | 18 Ų | 18 | 37.5 Ų | 37.5 | 11% | 0.109 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.7 | -179.8 | -65.8 | 0 | 0 | 0 | 0 | 114.1 | V458 A462 P474 L512 N515 A517 | V458-V464 HydrophobicContact CG1-CG1 4.01Å; V458-V464 HydrophobicContact CG2-CG1 3.92Å; A462-V464 PolarHBondContact O-N 3.45Å; A462-V464 VanDerWaalsContact O-N 3.16Å; V464-P474 WeakPolarHBondContact O-CD 3.23Å; V464-L512 HydrophobicContact CB-CD2 4.35Å; V464-L512 HydrophobicContact CG1-CD2 4.11Å; V464-N515 HydrophobicContact CG1-CB 4.45Å; V464-N515 WeakPolarHBondContact CG2-O 3.2Å; V464-A517 HydrophobicContact CB-CB 4.46Å |
| 465 | N | 94.3 | Very high | 93.4 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 29% | 0.289 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 14.6 | -178.8 | -68 | -47.2 | 0 | 0 | 0 | 112.4 | G463 L467 D516 A517 N518 I521 | G463-N465 PolarHBondContact O-N 2.86Å; N465-L467 PolarHBondContact O-N 3.12Å; N465-D516 PolarHBondContact ND2-O 3.2Å; N465-A517 WeakPolarHBondContact OD1-CA 3.42Å; N465-N518 PolarHBondContact OD1-N 2.88Å; N465-I521 HydrophobicContact CB-CD1 3.97Å |
| 466 | D | 94.4 | Very high | 93.5 | Very high | 56 Ų | 56 | 32.7 Ų | 32.7 | 30% | 0.299 | 21% | 0.207 | S | C | . | . | trans | -60.4 | 136.3 | 175.9 | -77.5 | -23.5 | 0 | 0 | 0 | 110.5 | T440 H443 G463 P474 | T440-D466 HydrophobicContact CG2-CB 4.34Å; H443-D466 PolarHBondContact CE1-O 3.34Å; H443-D466 VanDerWaalsContact CE1-O 3.23Å; H443-D466 PolarHBondContact NE2-O 3.35Å; G463-D466 WeakPolarHBondContact O-CB 3.21Å; G463-D466 PolarHBondContact O-N 3.44Å; D466-P474 WeakPolarHBondContact O-CD 3.47Å | ||
| 467 | L | 94.9 | Very high | 93.4 | Very high | 79 Ų | 79 | 34 Ų | 34 | 41% | 0.414 | 21% | 0.21 | S | C | . | . | trans | -98.1 | 137.1 | -178.6 | -54.4 | 175.5 | 0 | 0 | 0 | 110.9 | K434 N465 T473 I521 | K434-L467 PolarHBondContact NZ-O 2.96Å; N465-L467 PolarHBondContact O-N 3.12Å; L467-T473 HydrophobicContact CD2-CG2 3.5Å; L467-I521 HydrophobicContact CD2-CG2 3.74Å | ||
| 468 | D | 94.8 | Very high | 93.2 | Very high | 13 Ų | 13 | 34 Ų | 34 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | trans | -78.6 | -178.7 | 164.2 | 82.4 | -8.6 | 0 | 0 | 0 | 111.7 | G438 R439 R470 G471 C472 Y477 | G438-D468 WeakPolarHBondContact O-CA 3.23Å; R439-D468 HydrophobicContact CG-CB 3.72Å; D468-R470 PolarHBondContact O-N 3.25Å; D468-R470 VanDerWaalsContact OD1-CA 3.26Å; D468-R470 WeakPolarHBondContact OD1-CA 3.46Å; D468-R470 WeakPolarHBondContact OD1-CB 3.31Å; D468-R470 PolarHBondContact OD1-N 2.77Å; D468-G471 PolarHBondContact O-N 3.33Å; D468-G471 VanDerWaalsContact O-N 3.08Å; D468-G471 PolarHBondContact OD1-N 3.36Å; D468-C472 PolarHBondContact N-O 3.5Å; D468-C472 WeakPolarHBondContact OD1-CB 3.39Å; D468-C472 PolarHBondContact OD1-N 3.28Å; D468-Y477 PolarHBondContact OD2-OH 3.19Å; D468-Y477 VanDerWaalsContact OD2-OH 3.05Å | ||
| 469 | E | 94.3 | Very high | 93 | Very high | 103 Ų | 103 | 33.2 Ų | 33.2 | 48% | 0.481 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.8 | 176.2 | -77.7 | -167.2 | 156.3 | 0 | 0 | 113.5 | F437 G471 R524 | F437-E469 WeakPolarHBondContact O-CB 3.42Å; F437-E469 WeakPolarHBondContact O-CG 3.5Å; F437-E469 PolarHBondContact O-N 3.24Å; E469-G471 VanDerWaalsContact C-N 3.26Å; E469-R524 WeakPolarHBondContact O-CD 3.35Å; E469-R524 PolarHBondContact O-NE 3.41Å; E469-R524 PolarHBondContact O-NH1 3.32Å; E469-R524 PolarHBondContact O-NH2 2.77Å |
| 470 | R | 91.9 | Very high | 93 | Very high | 115 Ų | 115 | 30.8 Ų | 30.8 | 43% | 0.434 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -8.4 | 176 | -64.6 | 174 | 59.6 | -157.2 | -6 | 112.3 | D468 C472 D523 R524 Y532 | D468-R470 PolarHBondContact O-N 3.25Å; D468-R470 VanDerWaalsContact OD1-CA 3.26Å; D468-R470 WeakPolarHBondContact OD1-CA 3.46Å; D468-R470 WeakPolarHBondContact OD1-CB 3.31Å; D468-R470 PolarHBondContact OD1-N 2.77Å; R470-C472 VanDerWaalsContact C-N 3.33Å; R470-D523 WeakPolarHBondContact O-CB 3.45Å; R470-R524 WeakPolarHBondContact O-CB 3.48Å; R470-R524 WeakPolarHBondContact O-CG 3.47Å; R470-R524 PolarHBondContact O-N 3.04Å; R470-Y532 PolarHBondContact NH2-OH 3.3Å |
| 471 | G | 92.8 | Very high | 92.7 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 81.4 | 13.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D468 E469 | D468-G471 PolarHBondContact O-N 3.33Å; D468-G471 VanDerWaalsContact O-N 3.08Å; D468-G471 PolarHBondContact OD1-N 3.36Å; E469-G471 VanDerWaalsContact C-N 3.26Å |
| 472 | C | 94.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | trans | -82.8 | 139.3 | 175.8 | -64.9 | 0 | 0 | 0 | 0 | 110.3 | H443 D468 R470 H476 Y477 Y532 | H443-C472 PolarHBondContact NE2-O 3.37Å; D468-C472 PolarHBondContact N-O 3.5Å; D468-C472 WeakPolarHBondContact OD1-CB 3.39Å; D468-C472 PolarHBondContact OD1-N 3.28Å; R470-C472 VanDerWaalsContact C-N 3.33Å; C472-H476 HydrophobicContact CB-CB 4.1Å; C472-Y477 HydrophobicContact CB-CD2 4.38Å; C472-Y477 HydrophobicContact CB-CE2 3.82Å; C472-Y532 PolarHBondContact SG-OH 3.26Å; C472-Y532 VanDerWaalsContact SG-OH 3.36Å | ||
| 473 | T | 95.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -93.7 | 166.4 | 170 | 63.5 | 0 | 0 | 0 | 0 | 110.9 | L467 L475 H476 Y477 I521 | L467-T473 HydrophobicContact CD2-CG2 3.5Å; T473-L475 PolarHBondContact O-N 2.85Å; T473-L475 VanDerWaalsContact O-N 3.11Å; T473-L475 WeakPolarHBondContact OG1-CB 3.24Å; T473-L475 PolarHBondContact OG1-N 2.91Å; T473-H476 PolarHBondContact N-ND1 3.15Å; T473-H476 WeakPolarHBondContact O-CB 3.2Å; T473-H476 PolarHBondContact O-N 3.26Å; T473-H476 PolarHBondContact OG1-ND1 2.96Å; T473-Y477 WeakPolarHBondContact O-CD2 3.36Å; T473-Y477 PolarHBondContact O-N 3.16Å; T473-I521 HydrophobicContact CG2-CB 4.11Å; T473-I521 HydrophobicContact CG2-CD1 3.71Å; T473-I521 HydrophobicContact CG2-CG2 3.73Å | ||
| 474 | P | 94.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -52.2 | -32.1 | 168.8 | -26.9 | 34.9 | 0 | 0 | 0 | 113.2 | L442 H443 A446 V464 D466 H476 Y477 A478 L512 | L442-P474 HydrophobicContact CB-CG 4.37Å; L442-P474 HydrophobicContact CD2-CB 4.35Å; L442-P474 HydrophobicContact CD2-CG 3.91Å; L442-P474 HydrophobicContact CG-CB 4.02Å; L442-P474 HydrophobicContact CG-CG 3.87Å; H443-P474 WeakPolarHBondContact NE2-CD 3.44Å; A446-P474 HydrophobicContact CB-CB 4.02Å; A446-P474 VanDerWaalsContact CB-O 3.29Å; A446-P474 WeakPolarHBondContact CB-O 3.34Å; V464-P474 WeakPolarHBondContact O-CD 3.23Å; D466-P474 WeakPolarHBondContact O-CD 3.47Å; P474-H476 VanDerWaalsContact C-N 3.35Å; P474-H476 PolarHBondContact O-N 3.33Å; P474-Y477 PolarHBondContact O-N 3.14Å; P474-A478 PolarHBondContact O-N 3.46Å; P474-L512 HydrophobicContact CB-CD1 4.26Å |
| 475 | L | 92.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.1 | -35.5 | 176.6 | -172.5 | 65.8 | 0 | 0 | 0 | 112.7 | T473 Y477 A478 A479 L509 L512 L513 A517 P519 A529 | T473-L475 PolarHBondContact O-N 2.85Å; T473-L475 VanDerWaalsContact O-N 3.11Å; T473-L475 WeakPolarHBondContact OG1-CB 3.24Å; T473-L475 PolarHBondContact OG1-N 2.91Å; L475-Y477 VanDerWaalsContact C-N 3.34Å; L475-A478 PolarHBondContact O-N 2.79Å; L475-A479 WeakPolarHBondContact O-CB 3.33Å; L475-A479 PolarHBondContact O-N 3.23Å; L475-L509 HydrophobicContact CD1-CD1 4.29Å; L475-L509 HydrophobicContact CD1-CG 3.83Å; L475-L512 HydrophobicContact CB-CD1 4.48Å; L475-L512 HydrophobicContact CD1-CB 4.12Å; L475-L512 HydrophobicContact CD1-CD1 4.33Å; L475-L513 HydrophobicContact CD1-CD2 4.14Å; L475-L513 HydrophobicContact CD1-CG 4.17Å; L475-L513 HydrophobicContact CD2-CD2 3.84Å; L475-A517 HydrophobicContact CB-CB 4.44Å; L475-A517 HydrophobicContact CD2-CB 4.1Å; L475-P519 HydrophobicContact CD2-CB 4Å; L475-A529 HydrophobicContact CD2-CB 4.28Å; L475-A529 HydrophobicContact CG-CB 4.14Å |
| 476 | H | 92.9 | Very high | 84 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 174.8 | -68.9 | 78.9 | 0 | 0 | 0 | 111.4 | C472 T473 P474 A479 A480 I521 F527 N528 Y532 | C472-H476 HydrophobicContact CB-CB 4.1Å; T473-H476 PolarHBondContact N-ND1 3.15Å; T473-H476 WeakPolarHBondContact O-CB 3.2Å; T473-H476 PolarHBondContact O-N 3.26Å; T473-H476 PolarHBondContact OG1-ND1 2.96Å; P474-H476 VanDerWaalsContact C-N 3.35Å; P474-H476 PolarHBondContact O-N 3.33Å; H476-A479 PolarHBondContact O-N 3.31Å; H476-A480 PolarHBondContact O-N 3.5Å; H476-I521 PolarHBondContact CE1-O 3.35Å; H476-I521 PolarHBondContact NE2-O 3.27Å; H476-I521 VanDerWaalsContact NE2-O 3.16Å; H476-F527 PolarHBondContact NE2-O 3.15Å; H476-N528 WeakPolarHBondContact NE2-CA 3.37Å; H476-Y532 HydrophobicContact CB-CD2 4.42Å; H476-Y532 AromaticContact CD2-CD2 3.65Å; H476-Y532 AromaticContact CD2-CE2 3.61Å |
| 477 | Y | 92.7 | Very high | 81.2 | Confident | 40 Ų | 40 | 40.6 Ų | 40.6 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.8 | -43 | 177.2 | -76.5 | -83.4 | 0 | 0 | 0 | 111.9 | H443 A447 D468 C472 T473 P474 L475 A479 A480 S481 | H443-Y477 HydrophobicContact CB-CD2 4.49Å; H443-Y477 AromaticContact CD2-CD2 3.76Å; H443-Y477 AromaticContact CD2-CE2 3.72Å; A447-Y477 HydrophobicContact CB-CD1 3.76Å; A447-Y477 HydrophobicContact CB-CG 4.22Å; D468-Y477 PolarHBondContact OD2-OH 3.19Å; D468-Y477 VanDerWaalsContact OD2-OH 3.05Å; C472-Y477 HydrophobicContact CB-CD2 4.38Å; C472-Y477 HydrophobicContact CB-CE2 3.82Å; T473-Y477 WeakPolarHBondContact O-CD2 3.36Å; T473-Y477 PolarHBondContact O-N 3.16Å; P474-Y477 PolarHBondContact O-N 3.14Å; L475-Y477 VanDerWaalsContact C-N 3.34Å; Y477-A479 VanDerWaalsContact C-N 3.34Å; Y477-A480 PolarHBondContact O-N 3.43Å; Y477-S481 WeakPolarHBondContact O-CB 3.34Å; Y477-S481 PolarHBondContact O-N 3.46Å; Y477-S481 VanDerWaalsContact O-N 3.09Å; Y477-S481 PolarHBondContact O-OG 2.92Å |
| 478 | A | 90.8 | Very high | 78.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.3 | -47.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A446 P474 L475 A480 S481 D482 L509 L512 | A446-A478 HydrophobicContact CB-CB 4.24Å; P474-A478 PolarHBondContact O-N 3.46Å; L475-A478 PolarHBondContact O-N 2.79Å; A478-A480 PolarHBondContact O-N 3.28Å; A478-S481 PolarHBondContact O-N 3Å; A478-S481 VanDerWaalsContact O-N 3.15Å; A478-D482 WeakPolarHBondContact O-CB 3.34Å; A478-D482 PolarHBondContact O-N 3.19Å; A478-L509 HydrophobicContact CB-CB 4.25Å; A478-L512 HydrophobicContact CB-CD1 3.99Å |
| 479 | A | 89.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.4 | -24.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L475 H476 Y477 L509 A529 A533 H538 L545 | L475-A479 WeakPolarHBondContact O-CB 3.33Å; L475-A479 PolarHBondContact O-N 3.23Å; H476-A479 PolarHBondContact O-N 3.31Å; Y477-A479 VanDerWaalsContact C-N 3.34Å; A479-L509 HydrophobicContact CB-CD1 3.84Å; A479-A529 HydrophobicContact CB-CB 4.06Å; A479-A529 WeakPolarHBondContact CB-O 3.46Å; A479-A533 HydrophobicContact CB-CB 4.24Å; A479-A533 WeakPolarHBondContact O-CA 3.35Å; A479-A533 PolarHBondContact O-N 3.48Å; A479-H538 PolarHBondContact O-CD2 3.04Å; A479-L545 HydrophobicContact CB-CD1 4.43Å |
| 480 | A | 90 | Very high | 72.5 | Confident | 12 Ų | 12 | 51.2 Ų | 51.2 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -84.1 | -31.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H476 Y477 A478 Y532 Y536 H538 | H476-A480 PolarHBondContact O-N 3.5Å; Y477-A480 PolarHBondContact O-N 3.43Å; A478-A480 PolarHBondContact O-N 3.28Å; A480-Y532 HydrophobicContact CB-CD1 4.12Å; A480-Y536 HydrophobicContact CB-CD2 3.66Å; A480-Y536 HydrophobicContact CB-CE2 3.57Å; A480-H538 PolarHBondContact O-NE2 3.4Å |
| 481 | S | 85.8 | Confident | 69.6 | Low | 42 Ų | 42 | 48.6 Ų | 48.6 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -104 | -20.4 | -167.6 | -67 | 0 | 0 | 0 | 0 | 114.7 | A447 C449 Y477 A478 T483 | A447-S481 WeakPolarHBondContact O-CB 3.32Å; A447-S481 PolarHBondContact O-OG 3.04Å; C449-S481 VanDerWaalsContact SG-CB 3.53Å; C449-S481 PolarHBondContact SG-O 3.38Å; C449-S481 VanDerWaalsContact SG-O 3.32Å; Y477-S481 WeakPolarHBondContact O-CB 3.34Å; Y477-S481 PolarHBondContact O-N 3.46Å; Y477-S481 VanDerWaalsContact O-N 3.09Å; Y477-S481 PolarHBondContact O-OG 2.92Å; A478-S481 PolarHBondContact O-N 3Å; A478-S481 VanDerWaalsContact O-N 3.15Å; S481-T483 PolarHBondContact O-N 3.18Å |
| 482 | D | 71.5 | Confident | 66.6 | Low | 11 Ų | 11 | 55.7 Ų | 55.7 | 6% | 0.059 | 33% | 0.329 | C | S | . | . | trans | -76.8 | 93.8 | -170.3 | -162.4 | 19.5 | 0 | 0 | 0 | 111.2 | A478 S506 H538 C541 | A478-D482 WeakPolarHBondContact O-CB 3.34Å; A478-D482 PolarHBondContact O-N 3.19Å; D482-S506 WeakPolarHBondContact OD2-CA 3.46Å; D482-S506 WeakPolarHBondContact OD2-CB 3.44Å; D482-S506 PolarHBondContact OD2-OG 3.47Å; D482-H538 WeakPolarHBondContact O-CB 3.47Å; D482-H538 PolarHBondContact O-CD2 3Å; D482-H538 PolarHBondContact O-ND1 2.82Å; D482-C541 VanDerWaalsContact CB-SG 3.58Å | ||
| 483 | T | 64.6 | Low | 63.5 | Low | 64 Ų | 64 | 64.8 Ų | 64.8 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | trans | -73.2 | 131.2 | -172.2 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | S481 G485 I505 | S481-T483 PolarHBondContact O-N 3.18Å; T483-G485 PolarHBondContact O-N 3.49Å; T483-I505 WeakPolarHBondContact O-CG2 3.49Å | ||
| 484 | D | 58.2 | Low | 60.3 | Low | 44 Ų | 44 | 76.8 Ų | 76.8 | 24% | 0.235 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -66.8 | 92.1 | 163.2 | -71.4 | -16.9 | 0 | 0 | 0 | 110.9 | R539 L540 | D484-R539 VanDerWaalsContact OD2-CA 3.24Å; D484-R539 WeakPolarHBondContact OD2-CA 3.26Å; D484-R539 WeakPolarHBondContact OD2-CB 3.48Å; D484-R539 PolarHBondContact OD2-N 3.06Å; D484-L540 WeakPolarHBondContact OD1-CB 3.21Å; D484-L540 VanDerWaalsContact OD1-CG 3.26Å; D484-L540 WeakPolarHBondContact OD1-CG 3.47Å; D484-L540 PolarHBondContact OD1-N 2.99Å; D484-L540 VanDerWaalsContact OD1-N 3.17Å; D484-L540 PolarHBondContact OD2-N 3.39Å; D484-L540 VanDerWaalsContact OD2-N 3.11Å |
| 485 | G | 49.4 | Very low | 57.1 | Low | 48 Ų | 48 | 82.1 Ų | 82.1 | 50% | 0.495 | 45% | 0.447 | S | S | . | . | trans | 80.3 | 73.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | T483 S487 | T483-G485 PolarHBondContact O-N 3.49Å; G485-S487 PolarHBondContact O-N 3.16Å | ||
| 486 | K | 38.4 | Very low | 54.4 | Low | 168 Ų | 168 | 87.1 Ų | 87.1 | 73% | 0.73 | 48% | 0.482 | S | S | * | . | trans | -76.6 | 109.3 | 136.5 | -87.5 | -179 | -178.8 | 169.5 | 0 | 107.6 | V488 | K486-V488 VanDerWaalsContact C-N 3.27Å; K486-V488 PolarHBondContact O-N 3.24Å | ||
| 487 | S | 36.1 | Very low | 51.7 | Low | 101 Ų | 101 | 92.3 Ų | 92.3 | 71% | 0.706 | 52% | 0.518 | S | S | * | . | trans | -54.5 | 95.2 | 162.2 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | G485 I489 | G485-S487 PolarHBondContact O-N 3.16Å; S487-I489 VanDerWaalsContact C-N 3.28Å; S487-I489 PolarHBondContact O-N 2.97Å; S487-I489 VanDerWaalsContact O-N 3.12Å | ||
| 488 | V | 34.6 | Very low | 48.8 | Very low | 115 Ų | 115 | 95.2 Ų | 95.2 | 70% | 0.697 | 54% | 0.543 | S | S | * | . | trans | -72.2 | 97.6 | 155.5 | 179.4 | 0 | 0 | 0 | 0 | 104.3 | K486 L490 | K486-V488 VanDerWaalsContact C-N 3.27Å; K486-V488 PolarHBondContact O-N 3.24Å; V488-L490 HydrophobicContact CG1-CD1 4.26Å; V488-L490 HydrophobicContact CG1-CG 4.06Å; V488-L490 PolarHBondContact O-N 2.66Å | ||
| 489 | I | 32.1 | Very low | 46.1 | Very low | 146 Ų | 146 | 105.3 Ų | 105.3 | 75% | 0.749 | 59% | 0.587 | S | S | * | * | trans | -64.5 | 85.6 | 168.9 | -58.4 | 177.9 | 0 | 0 | 0 | 107 | S487 | S487-I489 VanDerWaalsContact C-N 3.28Å; S487-I489 PolarHBondContact O-N 2.97Å; S487-I489 VanDerWaalsContact O-N 3.12Å | ||
| 490 | L | 33.8 | Very low | 43.6 | Very low | 156 Ų | 156 | 110 Ų | 110 | 82% | 0.817 | 62% | 0.619 | S | S | * | * | trans | -86.4 | 103.5 | 155.4 | -82.2 | 162.5 | 0 | 0 | 0 | 106.3 | V488 | V488-L490 HydrophobicContact CG1-CD1 4.26Å; V488-L490 HydrophobicContact CG1-CG 4.06Å; V488-L490 PolarHBondContact O-N 2.66Å | ||
| 491 | G | 30.6 | Very low | 40.9 | Very low | 60 Ų | 60 | 116.5 Ų | 116.5 | 62% | 0.619 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 41 | 115.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 119 | F493 | G491-F493 PolarHBondContact O-N 2.7Š|
| 492 | N | 29.9 | Very low | 38.8 | Very low | 160 Ų | 160 | 120.4 Ų | 120.4 | 86% | 0.856 | 67% | 0.665 | S | S | * | * | trans | -14.8 | 87.4 | 164.2 | -72.8 | -11.1 | 0 | 0 | 0 | 116.9 | ||||
| 493 | F | 28.9 | Very low | 37.4 | Very low | 193 Ų | 193 | 126.2 Ų | 126.2 | 85% | 0.846 | 69% | 0.693 | S | S | * | * | trans | -138.7 | 106.2 | 152.1 | -99.4 | -86 | 0 | 0 | 0 | 108.3 | G491 V495 | G491-F493 PolarHBondContact O-N 2.7Å; F493-V495 HydrophobicContact CD1-CG2 4.35Å; F493-V495 PolarHBondContact O-N 3.35Å | ||
| 494 | R | 29.5 | Very low | 36.2 | Very low | 251 Ų | 251 | 128.4 Ų | 128.4 | 95% | 0.947 | 70% | 0.701 | S | S | * | * | trans | -80 | 106.3 | 163 | -85.3 | -175 | 170.4 | -171.9 | -3.1 | 107.1 | ||||
| 495 | V | 27.9 | Very low | 35.8 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 68% | 0.679 | 71% | 0.706 | S | S | * | * | trans | -116.5 | 107.8 | 164.4 | -175.6 | 0 | 0 | 0 | 0 | 107.6 | F493 | F493-V495 HydrophobicContact CD1-CG2 4.35Å; F493-V495 PolarHBondContact O-N 3.35Å | ||
| 496 | S | 35.9 | Very low | 36.2 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 74% | 0.741 | 69% | 0.688 | S | S | * | * | trans | -67.5 | 137.2 | 165.2 | -58.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 497 | S | 35.8 | Very low | 37.9 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 77% | 0.769 | 67% | 0.674 | S | S | * | * | trans | 76.2 | 84.1 | 165.9 | -45.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 498 | C | 31.1 | Very low | 40.2 | Very low | 101 Ų | 101 | 120.8 Ų | 120.8 | 68% | 0.682 | 64% | 0.641 | S | S | * | * | trans | -162.4 | 128.9 | 150.6 | -101.3 | 0 | 0 | 0 | 0 | 111.9 | C500 L501 | C498-C500 PolarHBondContact O-N 3.37Å; C498-L501 PolarHBondContact O-N 3.49Å | ||
| 499 | K | 34.8 | Very low | 42.7 | Very low | 211 Ų | 211 | 115.3 Ų | 115.3 | 92% | 0.917 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -56.4 | -4.4 | 170 | -78.1 | 177 | 171.1 | -178.9 | 0 | 114.5 | ||
| 500 | C | 35.7 | Very low | 45.3 | Very low | 100 Ų | 100 | 110.5 Ų | 110.5 | 68% | 0.676 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -90.1 | -3.1 | -179 | -63.8 | 0 | 0 | 0 | 0 | 115 | C498 | C498-C500 PolarHBondContact O-N 3.37Š|
| 501 | L | 34.9 | Very low | 47.9 | Very low | 147 Ų | 147 | 104.8 Ų | 104.8 | 77% | 0.77 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -85.5 | -7.6 | 174.6 | -131.3 | 82.2 | 0 | 0 | 0 | 113.6 | C498 M503 | C498-L501 PolarHBondContact O-N 3.49Å; L501-M503 VanDerWaalsContact C-N 3.29Å; L501-M503 PolarHBondContact O-N 3.27Å |
| 502 | H | 41.1 | Very low | 50.7 | Low | 124 Ų | 124 | 102 Ų | 102 | 57% | 0.574 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -78.6 | -3.2 | -178.9 | -121.8 | 171.5 | 0 | 0 | 0 | 114 | ||
| 503 | M | 41.3 | Very low | 53.5 | Low | 133 Ų | 133 | 95.2 Ų | 95.2 | 66% | 0.655 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -101.7 | 11.8 | -161.4 | -157.1 | 165.9 | 69.9 | 0 | 0 | 115.7 | L501 | L501-M503 VanDerWaalsContact C-N 3.29Å; L501-M503 PolarHBondContact O-N 3.27Å |
| 504 | I | 40.7 | Very low | 56.3 | Low | 111 Ų | 111 | 94.5 Ų | 94.5 | 57% | 0.569 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -104.1 | -17.6 | -172.5 | -60.6 | 178.2 | 0 | 0 | 0 | 112.8 | ||
| 505 | I | 49.8 | Very low | 59.2 | Low | 64 Ų | 64 | 85.2 Ų | 85.2 | 33% | 0.328 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -110 | -4.8 | -155.1 | -56.7 | -177.4 | 0 | 0 | 0 | 114.6 | T483 | T483-I505 WeakPolarHBondContact O-CG2 3.49Š|
| 506 | S | 58 | Low | 62.1 | Low | 16 Ų | 16 | 86.6 Ų | 86.6 | 11% | 0.112 | 45% | 0.449 | C | S | . | . | trans | -124.8 | 35.5 | 172.9 | -163.2 | 0 | 0 | 0 | 0 | 115.1 | D482 C508 E510 | D482-S506 WeakPolarHBondContact OD2-CA 3.46Å; D482-S506 WeakPolarHBondContact OD2-CB 3.44Å; D482-S506 PolarHBondContact OD2-OG 3.47Å; S506-C508 VanDerWaalsContact C-N 3.32Å; S506-C508 PolarHBondContact O-N 3.21Å; S506-E510 WeakPolarHBondContact O-CB 3.22Å; S506-E510 PolarHBondContact O-N 2.85Å | ||
| 507 | R | 73.1 | Confident | 64.7 | Low | 117 Ų | 117 | 81.9 Ų | 81.9 | 44% | 0.442 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.3 | -31.3 | -172.6 | -70.4 | -172.1 | 174.9 | 175 | -0.6 | 114.3 | Y451 Y511 | Y451-R507 HydrophobicContact CD1-CB 4.43Å; Y451-R507 HydrophobicContact CD2-CB 3.44Å; Y451-R507 VanDerWaalsContact CD2-CB 3.44Å; Y451-R507 WeakPolarHBondContact CD2-O 3.46Å; Y451-R507 HydrophobicContact CE2-CB 3.82Å; Y451-R507 HydrophobicContact CG-CB 3.77Å; R507-Y511 WeakPolarHBondContact O-CB 3.39Å; R507-Y511 PolarHBondContact O-N 3.47Å |
| 508 | C | 84.5 | Confident | 67.3 | Low | 3 Ų | 3 | 80.4 Ų | 80.4 | 2% | 0.02 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.6 | -52 | -179.2 | -68.3 | 0 | 0 | 0 | 0 | 110.9 | C449 Y451 L454 S506 Y511 L512 | C449-C508 VanDerWaalsContact C-SG 3.58Å; Y451-C508 WeakPolarHBondContact CA-SG 3.47Å; Y451-C508 PolarHBondContact N-SG 3.41Å; Y451-C508 VanDerWaalsContact N-SG 3.41Å; L454-C508 HydrophobicContact CD1-CB 3.87Å; S506-C508 VanDerWaalsContact C-N 3.32Å; S506-C508 PolarHBondContact O-N 3.21Å; C508-Y511 PolarHBondContact O-N 3.23Å; C508-L512 WeakPolarHBondContact O-CB 3.45Å; C508-L512 VanDerWaalsContact O-CG 3.26Å; C508-L512 WeakPolarHBondContact O-CG 3.28Å; C508-L512 PolarHBondContact O-N 3.29Å |
| 509 | L | 87.7 | Confident | 70 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.8 | -46.6 | 179.9 | -174.2 | 143.4 | 0 | 0 | 0 | 111.1 | L475 A478 A479 Y511 L512 L513 C541 L544 L545 | L475-L509 HydrophobicContact CD1-CD1 4.29Å; L475-L509 HydrophobicContact CD1-CG 3.83Å; A478-L509 HydrophobicContact CB-CB 4.25Å; A479-L509 HydrophobicContact CB-CD1 3.84Å; L509-Y511 VanDerWaalsContact C-N 3.34Å; L509-Y511 PolarHBondContact O-N 3.45Å; L509-L512 PolarHBondContact O-N 2.94Å; L509-L513 HydrophobicContact CD2-CD1 3.56Å; L509-L513 HydrophobicContact CD2-CG 4.33Å; L509-L513 HydrophobicContact CG-CD1 4.47Å; L509-L513 WeakPolarHBondContact O-CG 3.21Å; L509-L513 PolarHBondContact O-N 2.86Å; L509-C541 HydrophobicContact CD1-CB 4.02Å; L509-L544 HydrophobicContact CD2-CB 4.3Å; L509-L544 HydrophobicContact CD2-CD2 3.61Å; L509-L544 HydrophobicContact CD2-CG 4.07Å; L509-L545 HydrophobicContact CD1-CD1 4.28Å; L509-L545 HydrophobicContact CD1-CD2 4.48Å; L509-L545 HydrophobicContact CD1-CG 4.34Å; L509-L545 HydrophobicContact CD2-CD2 4.33Å; L509-L545 HydrophobicContact CD2-CG 4.22Å |
| 510 | E | 85.9 | Confident | 72.3 | Confident | 45 Ų | 45 | 67.4 Ų | 67.4 | 21% | 0.21 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 175.8 | -173.9 | -177.9 | -170.1 | 0 | 0 | 112.3 | S506 L513 R514 L544 | S506-E510 WeakPolarHBondContact O-CB 3.22Å; S506-E510 PolarHBondContact O-N 2.85Å; E510-L513 PolarHBondContact O-N 3.43Å; E510-R514 WeakPolarHBondContact O-CB 3.42Å; E510-R514 VanDerWaalsContact O-CG 3.3Å; E510-R514 WeakPolarHBondContact O-CG 3.44Å; E510-R514 PolarHBondContact O-N 3.24Å; E510-R514 IonicContact OE1-CZ 3.07Å; E510-R514 IonicContact OE1-NE 2.71Å; E510-R514 PolarHBondContact OE1-NE 3.11Å; E510-R514 IonicContact OE1-NH2 3.71Å; E510-R514 PolarHBondContact OE1-NH2 2.86Å; E510-L544 HydrophobicContact CB-CD2 3.57Å; E510-L544 HydrophobicContact CG-CD2 4Å |
| 511 | Y | 87.6 | Confident | 74.9 | Confident | 37 Ų | 37 | 64.4 Ų | 64.4 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.4 | -38.3 | -179.6 | -174.4 | -93.9 | 0 | 0 | 0 | 112 | Y451 L454 F455 V458 R507 C508 L509 R514 N515 | Y451-Y511 HydrophobicContact CE2-CD2 4.08Å; Y451-Y511 AromaticContact CE2-CG 3.93Å; Y451-Y511 HydrophobicContact CE2-CG 3.93Å; L454-Y511 HydrophobicContact CD2-CD1 3.44Å; L454-Y511 VanDerWaalsContact CD2-CD1 3.44Å; L454-Y511 HydrophobicContact CD2-CE1 4.07Å; L454-Y511 HydrophobicContact CD2-CG 4.37Å; F455-Y511 HydrophobicContact CD2-CD2 4.33Å; F455-Y511 HydrophobicContact CD2-CE1 4.22Å; F455-Y511 AromaticContact CD2-CE2 3.5Å; F455-Y511 HydrophobicContact CD2-CE2 3.5Å; F455-Y511 AromaticContact CD2-CZ 3.42Å; F455-Y511 VanDerWaalsContact CD2-CZ 3.42Å; F455-Y511 VanDerWaalsContact CD2-OH 3.32Å; F455-Y511 WeakPolarHBondContact CD2-OH 3.44Å; F455-Y511 AromaticContact CE2-CE2 3.86Å; F455-Y511 HydrophobicContact CE2-CE2 3.86Å; F455-Y511 AromaticContact CE2-CZ 3.94Å; V458-Y511 HydrophobicContact CB-CE1 3.89Å; V458-Y511 HydrophobicContact CG1-CE1 3.91Å; V458-Y511 HydrophobicContact CG2-CE1 4.25Å; R507-Y511 WeakPolarHBondContact O-CB 3.39Å; R507-Y511 PolarHBondContact O-N 3.47Å; C508-Y511 PolarHBondContact O-N 3.23Å; L509-Y511 VanDerWaalsContact C-N 3.34Å; L509-Y511 PolarHBondContact O-N 3.45Å; Y511-R514 PolarHBondContact O-N 3.43Å; Y511-N515 WeakPolarHBondContact CE1-ND2 3.39Å; Y511-N515 PolarHBondContact O-N 3.32Å; Y511-N515 PolarHBondContact O-ND2 3.4Å |
| 512 | L | 90.7 | Very high | 77.4 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 172.6 | -73.3 | 172.2 | 0 | 0 | 0 | 110.9 | L454 V458 V464 P474 L475 A478 C508 L509 R514 N515 A517 | L454-L512 HydrophobicContact CD1-CD1 4.09Å; L454-L512 HydrophobicContact CD1-CD2 4.29Å; L454-L512 HydrophobicContact CD1-CG 4.09Å; L454-L512 HydrophobicContact CD2-CD2 4.17Å; L454-L512 HydrophobicContact CD2-CG 4.23Å; L454-L512 HydrophobicContact CG-CD2 4.45Å; V458-L512 HydrophobicContact CG2-CD2 4.38Å; V464-L512 HydrophobicContact CB-CD2 4.35Å; V464-L512 HydrophobicContact CG1-CD2 4.11Å; P474-L512 HydrophobicContact CB-CD1 4.26Å; L475-L512 HydrophobicContact CB-CD1 4.48Å; L475-L512 HydrophobicContact CD1-CB 4.12Å; L475-L512 HydrophobicContact CD1-CD1 4.33Å; A478-L512 HydrophobicContact CB-CD1 3.99Å; C508-L512 WeakPolarHBondContact O-CB 3.45Å; C508-L512 VanDerWaalsContact O-CG 3.26Å; C508-L512 WeakPolarHBondContact O-CG 3.28Å; C508-L512 PolarHBondContact O-N 3.29Å; L509-L512 PolarHBondContact O-N 2.94Å; L512-R514 VanDerWaalsContact C-N 3.35Å; L512-R514 PolarHBondContact O-N 2.88Å; L512-N515 CarbonylContact O-C 3.37Å; L512-N515 PolarHBondContact O-N 3.43Å; L512-A517 VanDerWaalsContact C-CB 3.42Å; L512-A517 HydrophobicContact CB-CB 3.84Å; L512-A517 WeakPolarHBondContact O-CB 3.09Å; L512-A517 PolarHBondContact O-N 3.33Å |
| 513 | L | 89 | Confident | 79.7 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 9% | 0.094 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -40 | 178.4 | -70.4 | 175.2 | 0 | 0 | 0 | 112.7 | L475 L509 E510 N515 D516 P519 L544 L545 T548 | L475-L513 HydrophobicContact CD1-CD2 4.14Å; L475-L513 HydrophobicContact CD1-CG 4.17Å; L475-L513 HydrophobicContact CD2-CD2 3.84Å; L509-L513 HydrophobicContact CD2-CD1 3.56Å; L509-L513 HydrophobicContact CD2-CG 4.33Å; L509-L513 HydrophobicContact CG-CD1 4.47Å; L509-L513 WeakPolarHBondContact O-CG 3.21Å; L509-L513 PolarHBondContact O-N 2.86Å; E510-L513 PolarHBondContact O-N 3.43Å; L513-N515 PolarHBondContact O-N 3.14Å; L513-D516 PolarHBondContact O-N 3.27Å; L513-P519 HydrophobicContact CD2-CB 4.43Å; L513-P519 HydrophobicContact CD2-CG 4.28Å; L513-L544 HydrophobicContact CD1-CD2 4.31Å; L513-L544 HydrophobicContact CD1-CG 3.98Å; L513-L545 HydrophobicContact CD1-CD2 4.21Å; L513-L545 HydrophobicContact CD2-CD2 4.34Å; L513-T548 HydrophobicContact CB-CG2 4.44Å; L513-T548 HydrophobicContact CD1-CG2 4.42Å; L513-T548 HydrophobicContact CD2-CG2 4.32Å |
| 514 | R | 88 | Confident | 82.1 | Confident | 178 Ų | 178 | 58.5 Ų | 58.5 | 67% | 0.672 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66 | -17.8 | 175 | -73.4 | 177.3 | -179.6 | -157.2 | 1.9 | 113.8 | E510 Y511 L512 | E510-R514 WeakPolarHBondContact O-CB 3.42Å; E510-R514 VanDerWaalsContact O-CG 3.3Å; E510-R514 WeakPolarHBondContact O-CG 3.44Å; E510-R514 PolarHBondContact O-N 3.24Å; E510-R514 IonicContact OE1-CZ 3.07Å; E510-R514 IonicContact OE1-NE 2.71Å; E510-R514 PolarHBondContact OE1-NE 3.11Å; E510-R514 IonicContact OE1-NH2 3.71Å; E510-R514 PolarHBondContact OE1-NH2 2.86Å; Y511-R514 PolarHBondContact O-N 3.43Å; L512-R514 VanDerWaalsContact C-N 3.35Å; L512-R514 PolarHBondContact O-N 2.88Å |
| 515 | N | 90.1 | Very high | 84.2 | Confident | 57 Ų | 57 | 58.9 Ų | 58.9 | 31% | 0.305 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 41 | 177.7 | -69.6 | -89.8 | 0 | 0 | 0 | 111 | V458 V464 Y511 L512 L513 A517 | V458-N515 HydrophobicContact CG1-CB 4.13Å; V464-N515 HydrophobicContact CG1-CB 4.45Å; V464-N515 WeakPolarHBondContact CG2-O 3.2Å; Y511-N515 WeakPolarHBondContact CE1-ND2 3.39Å; Y511-N515 PolarHBondContact O-N 3.32Å; Y511-N515 PolarHBondContact O-ND2 3.4Å; L512-N515 CarbonylContact O-C 3.37Å; L512-N515 PolarHBondContact O-N 3.43Å; L513-N515 PolarHBondContact O-N 3.14Å; N515-A517 VanDerWaalsContact C-N 3.34Å; N515-A517 PolarHBondContact O-N 3.33Å |
| 516 | D | 89.1 | Confident | 86 | Confident | 141 Ų | 141 | 55.9 Ų | 55.9 | 75% | 0.754 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 27 | 172.6 | -54.5 | -47.7 | 0 | 0 | 0 | 115.8 | N465 L513 N518 | N465-D516 PolarHBondContact ND2-O 3.2Å; L513-D516 PolarHBondContact O-N 3.27Å; D516-N518 PolarHBondContact O-N 3.19Å |
| 517 | A | 90.3 | Very high | 87.5 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | trans | -68.9 | 130.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V464 N465 L475 L512 N515 P519 | V464-A517 HydrophobicContact CB-CB 4.46Å; N465-A517 WeakPolarHBondContact OD1-CA 3.42Å; L475-A517 HydrophobicContact CB-CB 4.44Å; L475-A517 HydrophobicContact CD2-CB 4.1Å; L512-A517 VanDerWaalsContact C-CB 3.42Å; L512-A517 HydrophobicContact CB-CB 3.84Å; L512-A517 WeakPolarHBondContact O-CB 3.09Å; L512-A517 PolarHBondContact O-N 3.33Å; N515-A517 VanDerWaalsContact C-N 3.34Å; N515-A517 PolarHBondContact O-N 3.33Å; A517-P519 VanDerWaalsContact O-CD 3.28Å; A517-P519 WeakPolarHBondContact O-CD 3.5Å | ||
| 518 | N | 89.1 | Confident | 88.3 | Confident | 79 Ų | 79 | 50.9 Ų | 50.9 | 42% | 0.422 | 24% | 0.238 | S | C | . | . | trans | -93.8 | 111.2 | -175.8 | -178 | -3.8 | 0 | 0 | 0 | 111.4 | N465 D516 G520 I521 | N465-N518 PolarHBondContact OD1-N 2.88Å; D516-N518 PolarHBondContact O-N 3.19Å; N518-G520 PolarHBondContact O-N 3.01Å; N518-G520 WeakPolarHBondContact OD1-CA 3.35Å; N518-G520 PolarHBondContact OD1-N 3.43Å; N518-I521 HydrophobicContact CB-CD1 3.82Å; N518-I521 HydrophobicContact CB-CG1 3.93Å; N518-I521 PolarHBondContact O-N 3.44Å | ||
| 519 | P | 87.6 | Confident | 88.5 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -14.4 | 178.2 | 28.5 | -33.1 | 0 | 0 | 0 | 113.9 | L475 L513 A517 L545 I553 | L475-P519 HydrophobicContact CD2-CB 4Å; L513-P519 HydrophobicContact CD2-CB 4.43Å; L513-P519 HydrophobicContact CD2-CG 4.28Å; A517-P519 VanDerWaalsContact O-CD 3.28Å; A517-P519 WeakPolarHBondContact O-CD 3.5Å; P519-L545 HydrophobicContact CB-CD2 3.83Å; P519-I553 HydrophobicContact CB-CD1 4.21Å; P519-I553 HydrophobicContact CG-CD1 3.88Å |
| 520 | G | 85.1 | Confident | 88.6 | Confident | 27 Ų | 27 | 50.7 Ų | 50.7 | 28% | 0.278 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -8.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N518 R522 | N518-G520 PolarHBondContact O-N 3.01Å; N518-G520 WeakPolarHBondContact OD1-CA 3.35Å; N518-G520 PolarHBondContact OD1-N 3.43Å; G520-R522 PolarHBondContact O-N 2.8Å |
| 521 | I | 88.4 | Confident | 88.8 | Confident | 37 Ų | 37 | 49 Ų | 49 | 19% | 0.19 | 23% | 0.229 | C | C | . | . | trans | -62.7 | 136.9 | 173.8 | -65.9 | 171.5 | 0 | 0 | 0 | 108.9 | N465 L467 T473 H476 N518 N528 | N465-I521 HydrophobicContact CB-CD1 3.97Å; L467-I521 HydrophobicContact CD2-CG2 3.74Å; T473-I521 HydrophobicContact CG2-CB 4.11Å; T473-I521 HydrophobicContact CG2-CD1 3.71Å; T473-I521 HydrophobicContact CG2-CG2 3.73Å; H476-I521 PolarHBondContact CE1-O 3.35Å; H476-I521 PolarHBondContact NE2-O 3.27Å; H476-I521 VanDerWaalsContact NE2-O 3.16Å; N518-I521 HydrophobicContact CB-CD1 3.82Å; N518-I521 HydrophobicContact CB-CG1 3.93Å; N518-I521 PolarHBondContact O-N 3.44Å; I521-N528 WeakPolarHBondContact O-CA 3.43Å; I521-N528 WeakPolarHBondContact O-CB 3.4Å | ||
| 522 | R | 88 | Confident | 89 | Confident | 70 Ų | 70 | 48.6 Ų | 48.6 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | trans | -115.2 | 141.2 | -179 | -65.2 | 176.2 | -176.4 | -91.5 | 4.5 | 110.6 | G520 G526 F527 N528 | G520-R522 PolarHBondContact O-N 2.8Å; R522-G526 WeakPolarHBondContact CD-O 3.41Å; R522-G526 WeakPolarHBondContact CG-O 3.22Å; R522-G526 PolarHBondContact NH1-O 3.02Å; R522-F527 CarbonylContact C-O 3.59Å; R522-F527 WeakPolarHBondContact CA-O 3.44Å; R522-N528 HydrophobicContact CG-CB 4.23Å | ||
| 523 | D | 90.3 | Very high | 88.9 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | trans | -69.6 | 177 | 169.2 | 78.2 | 5.6 | 0 | 0 | 0 | 111.7 | R470 Q525 G526 F527 Y532 | R470-D523 WeakPolarHBondContact O-CB 3.45Å; D523-Q525 PolarHBondContact O-N 3.05Å; D523-Q525 VanDerWaalsContact O-N 3.12Å; D523-Q525 VanDerWaalsContact OD1-CA 3.31Å; D523-Q525 WeakPolarHBondContact OD1-CA 3.42Å; D523-Q525 WeakPolarHBondContact OD1-CB 3.26Å; D523-Q525 PolarHBondContact OD1-N 2.96Å; D523-G526 PolarHBondContact O-N 3.48Å; D523-G526 PolarHBondContact OD1-N 3.09Å; D523-F527 PolarHBondContact N-O 3.34Å; D523-F527 PolarHBondContact OD1-N 3.39Å; D523-Y532 PolarHBondContact OD2-OH 3.31Å | ||
| 524 | R | 90.1 | Very high | 89 | Confident | 200 Ų | 200 | 47.7 Ų | 47.7 | 76% | 0.755 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.9 | 178.9 | -75.9 | -178.1 | -179.4 | 177.1 | 9 | 113.8 | E469 R470 | E469-R524 WeakPolarHBondContact O-CD 3.35Å; E469-R524 PolarHBondContact O-NE 3.41Å; E469-R524 PolarHBondContact O-NH1 3.32Å; E469-R524 PolarHBondContact O-NH2 2.77Å; R470-R524 WeakPolarHBondContact O-CB 3.48Å; R470-R524 WeakPolarHBondContact O-CG 3.47Å; R470-R524 PolarHBondContact O-N 3.04Å |
| 525 | Q | 86 | Confident | 89.1 | Confident | 118 Ų | 118 | 40.2 Ų | 40.2 | 55% | 0.551 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -3.7 | 176.4 | -62.8 | -179.4 | -10.4 | 0 | 0 | 112.4 | D523 F527 | D523-Q525 PolarHBondContact O-N 3.05Å; D523-Q525 VanDerWaalsContact O-N 3.12Å; D523-Q525 VanDerWaalsContact OD1-CA 3.31Å; D523-Q525 WeakPolarHBondContact OD1-CA 3.42Å; D523-Q525 WeakPolarHBondContact OD1-CB 3.26Å; D523-Q525 PolarHBondContact OD1-N 2.96Å; Q525-F527 HydrophobicContact CB-CD2 3.76Å; Q525-F527 HydrophobicContact CB-CE2 3.86Å; Q525-F527 VanDerWaalsContact OE1-CE2 3.3Å |
| 526 | G | 87 | Confident | 89.1 | Confident | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 90.7 | 2.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R522 D523 | R522-G526 WeakPolarHBondContact CD-O 3.41Å; R522-G526 WeakPolarHBondContact CG-O 3.22Å; R522-G526 PolarHBondContact NH1-O 3.02Å; D523-G526 PolarHBondContact O-N 3.48Å; D523-G526 PolarHBondContact OD1-N 3.09Å |
| 527 | F | 89.1 | Confident | 89.1 | Confident | 27 Ų | 27 | 38 Ų | 38 | 12% | 0.118 | 18% | 0.18 | C | C | . | . | trans | -82.3 | 134.9 | -178.3 | -61.5 | -45.7 | 0 | 0 | 0 | 111.3 | H476 R522 D523 Q525 H531 Y532 A561 I563 | H476-F527 PolarHBondContact NE2-O 3.15Å; R522-F527 CarbonylContact C-O 3.59Å; R522-F527 WeakPolarHBondContact CA-O 3.44Å; D523-F527 PolarHBondContact N-O 3.34Å; D523-F527 PolarHBondContact OD1-N 3.39Å; Q525-F527 HydrophobicContact CB-CD2 3.76Å; Q525-F527 HydrophobicContact CB-CE2 3.86Å; Q525-F527 VanDerWaalsContact OE1-CE2 3.3Å; F527-H531 HydrophobicContact CB-CB 3.91Å; F527-H531 HydrophobicContact CD1-CB 3.99Å; F527-H531 AromaticContact CD1-CD2 3.46Å; F527-H531 VanDerWaalsContact CD1-CD2 3.46Å; F527-H531 WeakPolarHBondContact CD1-CD2 3.38Å; F527-H531 AromaticContact CD1-CG 3.74Å; F527-H531 HydrophobicContact CG-CB 4.22Å; F527-Y532 HydrophobicContact CB-CD2 4.34Å; F527-Y532 HydrophobicContact CB-CE2 3.83Å; F527-A561 HydrophobicContact CD1-CB 4.14Å; F527-A561 HydrophobicContact CE1-CB 4.22Å; F527-I563 HydrophobicContact CE1-CB 4.27Å | ||
| 528 | N | 90.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -105.4 | 179.3 | 175.1 | 65.1 | 28.4 | 0 | 0 | 0 | 111.1 | H476 I521 R522 V530 H531 Y532 I553 | H476-N528 WeakPolarHBondContact NE2-CA 3.37Å; I521-N528 WeakPolarHBondContact O-CA 3.43Å; I521-N528 WeakPolarHBondContact O-CB 3.4Å; R522-N528 HydrophobicContact CG-CB 4.23Å; N528-V530 PolarHBondContact O-N 3.3Å; N528-V530 VanDerWaalsContact O-N 3.12Å; N528-V530 VanDerWaalsContact OD1-CB 3.29Å; N528-V530 WeakPolarHBondContact OD1-CB 3.43Å; N528-V530 PolarHBondContact OD1-N 2.82Å; N528-H531 VanDerWaalsContact CG-ND1 3.29Å; N528-H531 PolarHBondContact N-ND1 2.8Å; N528-H531 WeakPolarHBondContact O-CB 3.36Å; N528-H531 PolarHBondContact O-N 3.04Å; N528-H531 PolarHBondContact OD1-N 3.42Å; N528-H531 PolarHBondContact OD1-ND1 3.18Å; N528-Y532 WeakPolarHBondContact O-CD2 3.2Å; N528-Y532 PolarHBondContact O-N 3.24Å; N528-I553 WeakPolarHBondContact ND2-CG2 3.45Å; N528-I553 PolarHBondContact ND2-O 3.21Å | ||
| 529 | A | 89.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.4 | -33.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | L475 A479 H531 Y532 A533 L545 | L475-A529 HydrophobicContact CD2-CB 4.28Å; L475-A529 HydrophobicContact CG-CB 4.14Å; A479-A529 HydrophobicContact CB-CB 4.06Å; A479-A529 WeakPolarHBondContact CB-O 3.46Å; A529-H531 VanDerWaalsContact C-N 3.35Å; A529-H531 PolarHBondContact O-N 2.99Å; A529-Y532 PolarHBondContact O-N 2.9Å; A529-A533 PolarHBondContact O-N 3.12Å; A529-L545 HydrophobicContact CB-CD1 4.15Å; A529-L545 HydrophobicContact CB-CD2 4.11Å |
| 530 | V | 89.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.3 | -38 | 178.3 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | N528 A533 S534 L542 L545 M546 I553 P565 L581 | N528-V530 PolarHBondContact O-N 3.3Å; N528-V530 VanDerWaalsContact O-N 3.12Å; N528-V530 VanDerWaalsContact OD1-CB 3.29Å; N528-V530 WeakPolarHBondContact OD1-CB 3.43Å; N528-V530 PolarHBondContact OD1-N 2.82Å; V530-A533 PolarHBondContact O-N 2.85Å; V530-S534 VanDerWaalsContact O-CB 3.3Å; V530-S534 WeakPolarHBondContact O-CB 3.34Å; V530-S534 PolarHBondContact O-N 3.48Å; V530-S534 PolarHBondContact O-OG 2.83Å; V530-L542 HydrophobicContact CG1-CD2 3.7Å; V530-L545 HydrophobicContact CG2-CB 4.37Å; V530-L545 HydrophobicContact CG2-CD1 4.39Å; V530-M546 HydrophobicContact CB-CE 4.13Å; V530-M546 HydrophobicContact CG1-CE 3.58Å; V530-M546 HydrophobicContact CG2-CE 3.36Å; V530-I553 HydrophobicContact CG2-CG2 4.21Å; V530-P565 HydrophobicContact CG1-CB 4.11Å; V530-P565 HydrophobicContact CG1-CG 4.06Å; V530-L581 HydrophobicContact CG1-CD2 4.17Å |
| 531 | H | 89.8 | Confident | 88.6 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 176.5 | -66 | 78.5 | 0 | 0 | 0 | 111.2 | F527 N528 A529 S534 A535 I563 P565 L568 | F527-H531 HydrophobicContact CB-CB 3.91Å; F527-H531 HydrophobicContact CD1-CB 3.99Å; F527-H531 AromaticContact CD1-CD2 3.46Å; F527-H531 VanDerWaalsContact CD1-CD2 3.46Å; F527-H531 WeakPolarHBondContact CD1-CD2 3.38Å; F527-H531 AromaticContact CD1-CG 3.74Å; F527-H531 HydrophobicContact CG-CB 4.22Å; N528-H531 VanDerWaalsContact CG-ND1 3.29Å; N528-H531 PolarHBondContact N-ND1 2.8Å; N528-H531 WeakPolarHBondContact O-CB 3.36Å; N528-H531 PolarHBondContact O-N 3.04Å; N528-H531 PolarHBondContact OD1-N 3.42Å; N528-H531 PolarHBondContact OD1-ND1 3.18Å; A529-H531 VanDerWaalsContact C-N 3.35Å; A529-H531 PolarHBondContact O-N 2.99Å; H531-S534 PolarHBondContact O-N 3.41Å; H531-A535 WeakPolarHBondContact O-CB 3.38Å; H531-A535 PolarHBondContact O-N 3.5Å; H531-I563 PolarHBondContact CD2-O 2.81Å; H531-I563 PolarHBondContact NE2-O 2.91Å; H531-P565 WeakPolarHBondContact NE2-CD 3.23Å; H531-L568 HydrophobicContact CB-CD1 3.88Å |
| 532 | Y | 91 | Very high | 88.5 | Confident | 28 Ų | 28 | 35 Ų | 35 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.7 | -49.3 | 176.4 | -78.2 | -101 | 0 | 0 | 0 | 110.7 | R470 C472 H476 A480 D523 F527 N528 A529 S534 A535 Y536 | R470-Y532 PolarHBondContact NH2-OH 3.3Å; C472-Y532 PolarHBondContact SG-OH 3.26Å; C472-Y532 VanDerWaalsContact SG-OH 3.36Å; H476-Y532 HydrophobicContact CB-CD2 4.42Å; H476-Y532 AromaticContact CD2-CD2 3.65Å; H476-Y532 AromaticContact CD2-CE2 3.61Å; A480-Y532 HydrophobicContact CB-CD1 4.12Å; D523-Y532 PolarHBondContact OD2-OH 3.31Å; F527-Y532 HydrophobicContact CB-CD2 4.34Å; F527-Y532 HydrophobicContact CB-CE2 3.83Å; N528-Y532 WeakPolarHBondContact O-CD2 3.2Å; N528-Y532 PolarHBondContact O-N 3.24Å; A529-Y532 PolarHBondContact O-N 2.9Å; Y532-S534 VanDerWaalsContact C-N 3.26Å; Y532-S534 PolarHBondContact O-N 3.39Å; Y532-A535 PolarHBondContact O-N 2.95Å; Y532-A535 VanDerWaalsContact O-N 3.15Å; Y532-Y536 VanDerWaalsContact O-CD2 3.29Å; Y532-Y536 WeakPolarHBondContact O-CD2 3.37Å; Y532-Y536 PolarHBondContact O-N 3.46Å |
| 533 | A | 90.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.5 | -36.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A479 A529 V530 G537 H538 C541 L542 L545 | A479-A533 HydrophobicContact CB-CB 4.24Å; A479-A533 WeakPolarHBondContact O-CA 3.35Å; A479-A533 PolarHBondContact O-N 3.48Å; A529-A533 PolarHBondContact O-N 3.12Å; V530-A533 PolarHBondContact O-N 2.85Å; A533-G537 PolarHBondContact O-N 2.81Å; A533-H538 PolarHBondContact O-N 3.29Å; A533-H538 VanDerWaalsContact O-N 3.07Å; A533-C541 HydrophobicContact CB-CB 4.23Å; A533-L542 HydrophobicContact CB-CD2 3.71Å; A533-L542 HydrophobicContact CB-CG 3.84Å; A533-L545 HydrophobicContact CB-CD1 4.16Å |
| 534 | S | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.3 | -36.1 | 176.6 | -56.6 | 0 | 0 | 0 | 0 | 113.3 | V530 H531 Y532 Y536 P565 H574 | V530-S534 VanDerWaalsContact O-CB 3.3Å; V530-S534 WeakPolarHBondContact O-CB 3.34Å; V530-S534 PolarHBondContact O-N 3.48Å; V530-S534 PolarHBondContact O-OG 2.83Å; H531-S534 PolarHBondContact O-N 3.41Å; Y532-S534 VanDerWaalsContact C-N 3.26Å; Y532-S534 PolarHBondContact O-N 3.39Å; S534-Y536 VanDerWaalsContact C-N 3.31Å; S534-Y536 PolarHBondContact O-N 3.25Å; S534-P565 WeakPolarHBondContact CB-O 3.43Å; S534-P565 WeakPolarHBondContact OG-CB 3.17Å; S534-H574 PolarHBondContact O-CD2 2.87Å |
| 535 | A | 91.3 | Very high | 87.9 | Confident | 21 Ų | 21 | 26.2 Ų | 26.2 | 17% | 0.174 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.1 | -28.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | H531 Y532 L568 H574 | H531-A535 WeakPolarHBondContact O-CB 3.38Å; H531-A535 PolarHBondContact O-N 3.5Å; Y532-A535 PolarHBondContact O-N 2.95Å; Y532-A535 VanDerWaalsContact O-N 3.15Å; A535-L568 HydrophobicContact CB-CB 4.31Å; A535-L568 HydrophobicContact CB-CD1 4.34Å; A535-H574 PolarHBondContact O-CD2 3.28Å; A535-H574 PolarHBondContact O-NE2 3.47Å; A535-H574 VanDerWaalsContact O-NE2 3.12Å |
| 536 | Y | 89.8 | Confident | 87.7 | Confident | 136 Ų | 136 | 21.6 Ų | 21.6 | 53% | 0.533 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -102.7 | -8.9 | 178.3 | -69 | -83.1 | 0 | 0 | 0 | 114 | A480 Y532 S534 H538 | A480-Y536 HydrophobicContact CB-CD2 3.66Å; A480-Y536 HydrophobicContact CB-CE2 3.57Å; Y532-Y536 VanDerWaalsContact O-CD2 3.29Å; Y532-Y536 WeakPolarHBondContact O-CD2 3.37Å; Y532-Y536 PolarHBondContact O-N 3.46Å; S534-Y536 VanDerWaalsContact C-N 3.31Å; S534-Y536 PolarHBondContact O-N 3.25Å; Y536-H538 WeakPolarHBondContact CB-NE2 3.37Å |
| 537 | G | 88.1 | Confident | 87.4 | Confident | 14 Ų | 14 | 29.1 Ų | 29.1 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 26.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A533 R539 H574 | A533-G537 PolarHBondContact O-N 2.81Å; G537-R539 PolarHBondContact O-N 3.23Å; G537-H574 VanDerWaalsContact CA-CD2 3.49Å; G537-H574 WeakPolarHBondContact CA-CD2 3.44Å; G537-H574 PolarHBondContact N-CD2 2.65Å |
| 538 | H | 87.1 | Confident | 86.7 | Confident | 19 Ų | 19 | 31.5 Ų | 31.5 | 9% | 0.088 | 15% | 0.153 | C | C | . | . | trans | -86.5 | 92.4 | -177.6 | -54.7 | -48.1 | 0 | 0 | 0 | 110.8 | A479 A480 D482 A533 Y536 C541 L542 | A479-H538 PolarHBondContact O-CD2 3.04Å; A480-H538 PolarHBondContact O-NE2 3.4Å; D482-H538 WeakPolarHBondContact O-CB 3.47Å; D482-H538 PolarHBondContact O-CD2 3Å; D482-H538 PolarHBondContact O-ND1 2.82Å; A533-H538 PolarHBondContact O-N 3.29Å; A533-H538 VanDerWaalsContact O-N 3.07Å; Y536-H538 WeakPolarHBondContact CB-NE2 3.37Å; H538-C541 HydrophobicContact CB-CB 3.84Å; H538-C541 PolarHBondContact O-N 3.14Å; H538-L542 WeakPolarHBondContact O-CG 3.45Å; H538-L542 PolarHBondContact O-N 3.11Å | ||
| 539 | R | 85.9 | Confident | 85.6 | Confident | 56 Ų | 56 | 32.6 Ų | 32.6 | 21% | 0.211 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.4 | -49.9 | 178.4 | -175.3 | -172.5 | 54.3 | 86.4 | 4.1 | 112.6 | D484 G537 C541 L542 E543 Q576 V580 | D484-R539 VanDerWaalsContact OD2-CA 3.24Å; D484-R539 WeakPolarHBondContact OD2-CA 3.26Å; D484-R539 WeakPolarHBondContact OD2-CB 3.48Å; D484-R539 PolarHBondContact OD2-N 3.06Å; G537-R539 PolarHBondContact O-N 3.23Å; R539-C541 VanDerWaalsContact C-N 3.33Å; R539-C541 PolarHBondContact O-N 3.44Å; R539-L542 WeakPolarHBondContact O-CB 3.39Å; R539-L542 PolarHBondContact O-N 3.17Å; R539-L542 VanDerWaalsContact O-N 3.16Å; R539-E543 IonicContact CZ-OE1 3.26Å; R539-E543 VanDerWaalsContact NH1-CD 3.34Å; R539-E543 IonicContact NH1-OE1 2.61Å; R539-E543 PolarHBondContact NH1-OE1 3.12Å; R539-E543 IonicContact NH1-OE2 3.18Å; R539-E543 PolarHBondContact NH1-OE2 3.31Å; R539-E543 WeakPolarHBondContact O-CG 3.47Å; R539-E543 PolarHBondContact O-N 3.04Å; R539-Q576 HydrophobicContact CB-CB 4.22Å; R539-Q576 HydrophobicContact CG-CB 4.47Å; R539-V580 HydrophobicContact CG-CG2 3.44Å; R539-V580 VanDerWaalsContact CG-CG2 3.44Å |
| 540 | L | 82.1 | Confident | 84.4 | Confident | 26 Ų | 26 | 34.3 Ų | 34.3 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.9 | -37.5 | -176.8 | -62.1 | 173.4 | 0 | 0 | 0 | 111.7 | D484 L542 E543 L544 | D484-L540 WeakPolarHBondContact OD1-CB 3.21Å; D484-L540 VanDerWaalsContact OD1-CG 3.26Å; D484-L540 WeakPolarHBondContact OD1-CG 3.47Å; D484-L540 PolarHBondContact OD1-N 2.99Å; D484-L540 VanDerWaalsContact OD1-N 3.17Å; D484-L540 PolarHBondContact OD2-N 3.39Å; D484-L540 VanDerWaalsContact OD2-N 3.11Å; L540-L542 VanDerWaalsContact C-N 3.29Å; L540-L542 PolarHBondContact O-N 3.22Å; L540-E543 WeakPolarHBondContact CD2-OE2 3.49Å; L540-E543 PolarHBondContact O-N 2.92Å; L540-L544 WeakPolarHBondContact O-CB 2.89Å; L540-L544 PolarHBondContact O-N 2.98Å |
| 541 | C | 86 | Confident | 83.1 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 173.6 | -68.3 | 0 | 0 | 0 | 0 | 111.1 | D482 L509 A533 H538 R539 L545 | D482-C541 VanDerWaalsContact CB-SG 3.58Å; L509-C541 HydrophobicContact CD1-CB 4.02Å; A533-C541 HydrophobicContact CB-CB 4.23Å; H538-C541 HydrophobicContact CB-CB 3.84Å; H538-C541 PolarHBondContact O-N 3.14Å; R539-C541 VanDerWaalsContact C-N 3.33Å; R539-C541 PolarHBondContact O-N 3.44Å; C541-L545 VanDerWaalsContact O-CB 3.31Å; C541-L545 WeakPolarHBondContact O-CB 3.18Å; C541-L545 WeakPolarHBondContact O-CD1 3.03Å; C541-L545 WeakPolarHBondContact O-CG 3.49Å; C541-L545 PolarHBondContact O-N 3.38Å |
| 542 | L | 86.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.5 | -46.3 | 175.4 | -72.8 | 168.5 | 0 | 0 | 0 | 111.9 | V530 A533 H538 R539 L540 L544 L545 M546 A577 V580 L581 | V530-L542 HydrophobicContact CG1-CD2 3.7Å; A533-L542 HydrophobicContact CB-CD2 3.71Å; A533-L542 HydrophobicContact CB-CG 3.84Å; H538-L542 WeakPolarHBondContact O-CG 3.45Å; H538-L542 PolarHBondContact O-N 3.11Å; R539-L542 WeakPolarHBondContact O-CB 3.39Å; R539-L542 PolarHBondContact O-N 3.17Å; R539-L542 VanDerWaalsContact O-N 3.16Å; L540-L542 VanDerWaalsContact C-N 3.29Å; L540-L542 PolarHBondContact O-N 3.22Å; L542-L544 VanDerWaalsContact C-N 3.31Å; L542-L544 PolarHBondContact O-N 3.1Å; L542-L545 PolarHBondContact O-N 2.94Å; L542-M546 WeakPolarHBondContact O-CB 3.5Å; L542-M546 WeakPolarHBondContact O-CG 3.41Å; L542-M546 PolarHBondContact O-N 2.91Å; L542-A577 HydrophobicContact CD1-CB 3.42Å; L542-A577 VanDerWaalsContact CD1-CB 3.42Å; L542-V580 HydrophobicContact CB-CG1 4.07Å; L542-L581 HydrophobicContact CD1-CG 4.37Å; L542-L581 HydrophobicContact CD2-CD2 4.16Å |
| 543 | E | 85.6 | Confident | 80.5 | Confident | 61 Ų | 61 | 42.9 Ų | 42.9 | 29% | 0.285 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -54.1 | -49.8 | 176.1 | -73.1 | 171.7 | -175.1 | 0 | 0 | 110.7 | R539 L540 M546 E547 V580 | R539-E543 IonicContact CZ-OE1 3.26Å; R539-E543 VanDerWaalsContact NH1-CD 3.34Å; R539-E543 IonicContact NH1-OE1 2.61Å; R539-E543 PolarHBondContact NH1-OE1 3.12Å; R539-E543 IonicContact NH1-OE2 3.18Å; R539-E543 PolarHBondContact NH1-OE2 3.31Å; R539-E543 WeakPolarHBondContact O-CG 3.47Å; R539-E543 PolarHBondContact O-N 3.04Å; L540-E543 WeakPolarHBondContact CD2-OE2 3.49Å; L540-E543 PolarHBondContact O-N 2.92Å; E543-M546 PolarHBondContact O-N 3.26Å; E543-E547 WeakPolarHBondContact O-CB 3.18Å; E543-E547 WeakPolarHBondContact O-CG 3.29Å; E543-E547 PolarHBondContact O-N 3Å; E543-V580 HydrophobicContact CG-CB 4.47Å; E543-V580 HydrophobicContact CG-CG1 3.86Å; E543-V580 HydrophobicContact CG-CG2 3.7Å |
| 544 | L | 84.2 | Confident | 79.3 | Confident | 34 Ų | 34 | 44.1 Ų | 44.1 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.5 | -40.2 | -178.4 | -173.9 | 60.6 | 0 | 0 | 0 | 113.1 | L509 E510 L513 L540 L542 T548 | L509-L544 HydrophobicContact CD2-CB 4.3Å; L509-L544 HydrophobicContact CD2-CD2 3.61Å; L509-L544 HydrophobicContact CD2-CG 4.07Å; E510-L544 HydrophobicContact CB-CD2 3.57Å; E510-L544 HydrophobicContact CG-CD2 4Å; L513-L544 HydrophobicContact CD1-CD2 4.31Å; L513-L544 HydrophobicContact CD1-CG 3.98Å; L540-L544 WeakPolarHBondContact O-CB 2.89Å; L540-L544 PolarHBondContact O-N 2.98Å; L542-L544 VanDerWaalsContact C-N 3.31Å; L542-L544 PolarHBondContact O-N 3.1Å; L544-T548 WeakPolarHBondContact O-CB 3.45Å; L544-T548 PolarHBondContact O-N 3.23Å; L544-T548 VanDerWaalsContact O-N 3.08Å; L544-T548 PolarHBondContact O-OG1 3.08Å |
| 545 | L | 86.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 174.4 | -74.1 | 168.6 | 0 | 0 | 0 | 110.8 | A479 L509 L513 P519 A529 V530 A533 C541 L542 T548 S549 | A479-L545 HydrophobicContact CB-CD1 4.43Å; L509-L545 HydrophobicContact CD1-CD1 4.28Å; L509-L545 HydrophobicContact CD1-CD2 4.48Å; L509-L545 HydrophobicContact CD1-CG 4.34Å; L509-L545 HydrophobicContact CD2-CD2 4.33Å; L509-L545 HydrophobicContact CD2-CG 4.22Å; L513-L545 HydrophobicContact CD1-CD2 4.21Å; L513-L545 HydrophobicContact CD2-CD2 4.34Å; P519-L545 HydrophobicContact CB-CD2 3.83Å; A529-L545 HydrophobicContact CB-CD1 4.15Å; A529-L545 HydrophobicContact CB-CD2 4.11Å; V530-L545 HydrophobicContact CG2-CB 4.37Å; V530-L545 HydrophobicContact CG2-CD1 4.39Å; A533-L545 HydrophobicContact CB-CD1 4.16Å; C541-L545 VanDerWaalsContact O-CB 3.31Å; C541-L545 WeakPolarHBondContact O-CB 3.18Å; C541-L545 WeakPolarHBondContact O-CD1 3.03Å; C541-L545 WeakPolarHBondContact O-CG 3.49Å; C541-L545 PolarHBondContact O-N 3.38Å; L542-L545 PolarHBondContact O-N 2.94Å; L545-T548 PolarHBondContact O-N 3.12Å; L545-S549 VanDerWaalsContact O-CB 3.27Å; L545-S549 WeakPolarHBondContact O-CB 3.33Å; L545-S549 PolarHBondContact O-N 2.66Å; L545-S549 PolarHBondContact O-OG 3.25Å |
| 546 | M | 82.3 | Confident | 76 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 178.6 | -67.6 | -58.4 | 96.6 | 0 | 0 | 111.9 | V530 L542 E543 T548 G550 V554 V580 | V530-M546 HydrophobicContact CB-CE 4.13Å; V530-M546 HydrophobicContact CG1-CE 3.58Å; V530-M546 HydrophobicContact CG2-CE 3.36Å; L542-M546 WeakPolarHBondContact O-CB 3.5Å; L542-M546 WeakPolarHBondContact O-CG 3.41Å; L542-M546 PolarHBondContact O-N 2.91Å; E543-M546 PolarHBondContact O-N 3.26Å; M546-T548 VanDerWaalsContact C-N 3.34Å; M546-T548 PolarHBondContact O-N 2.85Å; M546-G550 PolarHBondContact O-N 3.03Å; M546-G550 VanDerWaalsContact O-N 3.12Å; M546-V554 HydrophobicContact CE-CG2 3.83Å; M546-V554 HydrophobicContact SD-CG2 3.73Å; M546-V580 HydrophobicContact CG-CG1 4.5Å |
| 547 | E | 79.8 | Confident | 74.1 | Confident | 159 Ų | 159 | 50.6 Ų | 50.6 | 74% | 0.743 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.5 | -41.7 | 175.9 | -77.8 | -179.5 | 179.2 | 0 | 0 | 112.3 | E543 | E543-E547 WeakPolarHBondContact O-CB 3.18Å; E543-E547 WeakPolarHBondContact O-CG 3.29Å; E543-E547 PolarHBondContact O-N 3Å |
| 548 | T | 74.7 | Confident | 72.3 | Confident | 77 Ų | 77 | 55.8 Ų | 55.8 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -79.8 | -30.2 | -174.2 | -51.6 | 0 | 0 | 0 | 0 | 112.6 | L513 L544 L545 M546 | L513-T548 HydrophobicContact CB-CG2 4.44Å; L513-T548 HydrophobicContact CD1-CG2 4.42Å; L513-T548 HydrophobicContact CD2-CG2 4.32Å; L544-T548 WeakPolarHBondContact O-CB 3.45Å; L544-T548 PolarHBondContact O-N 3.23Å; L544-T548 VanDerWaalsContact O-N 3.08Å; L544-T548 PolarHBondContact O-OG1 3.08Å; L545-T548 PolarHBondContact O-N 3.12Å; M546-T548 VanDerWaalsContact C-N 3.34Å; M546-T548 PolarHBondContact O-N 2.85Å |
| 549 | S | 67.3 | Low | 70.7 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -116.3 | -7.2 | -164.9 | 73.4 | 0 | 0 | 0 | 0 | 116.4 | L545 | L545-S549 VanDerWaalsContact O-CB 3.27Å; L545-S549 WeakPolarHBondContact O-CB 3.33Å; L545-S549 PolarHBondContact O-N 2.66Å; L545-S549 PolarHBondContact O-OG 3.25Å |
| 550 | G | 64.2 | Low | 69.3 | Low | 35 Ų | 35 | 69.1 Ų | 69.1 | 36% | 0.361 | 37% | 0.371 | S | S | . | . | trans | 70 | 177.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M546 D552 | M546-G550 PolarHBondContact O-N 3.03Å; M546-G550 VanDerWaalsContact O-N 3.12Å; G550-D552 VanDerWaalsContact C-N 3.29Å; G550-D552 PolarHBondContact O-N 3.44Å | ||
| 551 | T | 63.3 | Low | 68.3 | Low | 65 Ų | 65 | 69.1 Ų | 69.1 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -12.8 | -177.9 | 48.4 | 0 | 0 | 0 | 0 | 113.7 | I553 V554 N555 S584 | T551-I553 VanDerWaalsContact C-N 3.3Å; T551-I553 PolarHBondContact O-N 3.4Å; T551-V554 PolarHBondContact O-N 3.46Å; T551-N555 PolarHBondContact O-N 3.46Å; T551-S584 WeakPolarHBondContact CG2-O 3.44Å |
| 552 | D | 62.3 | Low | 67.5 | Low | 126 Ų | 126 | 73 Ų | 73 | 67% | 0.674 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.2 | -31.8 | -175.6 | -65.7 | -25.5 | 0 | 0 | 0 | 112.7 | G550 V554 N555 D556 | G550-D552 VanDerWaalsContact C-N 3.29Å; G550-D552 PolarHBondContact O-N 3.44Å; D552-V554 PolarHBondContact O-N 3.38Å; D552-N555 PolarHBondContact O-N 2.98Å; D552-D556 WeakPolarHBondContact O-CB 3.41Å; D552-D556 PolarHBondContact O-N 3.35Å; D552-D556 VanDerWaalsContact O-N 3.08Å |
| 553 | I | 64.1 | Low | 67.4 | Low | 26 Ų | 26 | 75.8 Ų | 75.8 | 13% | 0.133 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.2 | -24.3 | 179.1 | -62.3 | -158.8 | 0 | 0 | 0 | 112.9 | P519 N528 V530 T551 | P519-I553 HydrophobicContact CB-CD1 4.21Å; P519-I553 HydrophobicContact CG-CD1 3.88Å; N528-I553 WeakPolarHBondContact ND2-CG2 3.45Å; N528-I553 PolarHBondContact ND2-O 3.21Å; V530-I553 HydrophobicContact CG2-CG2 4.21Å; T551-I553 VanDerWaalsContact C-N 3.3Å; T551-I553 PolarHBondContact O-N 3.4Å |
| 554 | V | 63.4 | Low | 67.5 | Low | 27 Ų | 27 | 74.1 Ų | 74.1 | 16% | 0.164 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -93.1 | -29.5 | -178.3 | -158 | 0 | 0 | 0 | 0 | 111.8 | M546 T551 D552 P565 L586 | M546-V554 HydrophobicContact CE-CG2 3.83Å; M546-V554 HydrophobicContact SD-CG2 3.73Å; T551-V554 PolarHBondContact O-N 3.46Å; D552-V554 PolarHBondContact O-N 3.38Å; V554-P565 HydrophobicContact CG1-CG 4.18Å; V554-L586 HydrophobicContact CB-CD2 3.65Å; V554-L586 HydrophobicContact CG1-CD1 3.86Å; V554-L586 HydrophobicContact CG1-CD2 3.24Å; V554-L586 HydrophobicContact CG1-CG 4.2Å |
| 555 | N | 58.8 | Low | 67.7 | Low | 83 Ų | 83 | 72.6 Ų | 72.6 | 44% | 0.444 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -101.1 | 2 | -175.6 | -76.8 | -17 | 0 | 0 | 0 | 114.5 | T551 D552 T557 L586 | T551-N555 PolarHBondContact O-N 3.46Å; D552-N555 PolarHBondContact O-N 2.98Å; N555-T557 PolarHBondContact O-N 3.39Å; N555-L586 WeakPolarHBondContact OD1-CD2 3.27Å |
| 556 | D | 53.3 | Low | 67.9 | Low | 88 Ų | 88 | 72.7 Ų | 72.7 | 47% | 0.471 | 40% | 0.402 | S | S | . | . | trans | -61.8 | 114.6 | -175.8 | -156.6 | -6.1 | 0 | 0 | 0 | 111.5 | D552 D558 | D552-D556 WeakPolarHBondContact O-CB 3.41Å; D552-D556 PolarHBondContact O-N 3.35Å; D552-D556 VanDerWaalsContact O-N 3.08Å; D556-D558 PolarHBondContact O-N 3.29Å; D556-D558 VanDerWaalsContact O-N 3.08Å | ||
| 557 | T | 50.6 | Low | 68.3 | Low | 122 Ų | 122 | 71.8 Ų | 71.8 | 75% | 0.748 | 40% | 0.398 | S | S | * | . | trans | -68.1 | -1.3 | -175.6 | 45.8 | 0 | 0 | 0 | 0 | 113.8 | N555 V559 | N555-T557 PolarHBondContact O-N 3.39Å; T557-V559 VanDerWaalsContact C-N 3.32Å; T557-V559 VanDerWaalsContact O-CG2 3.26Å; T557-V559 WeakPolarHBondContact O-CG2 3.47Å; T557-V559 PolarHBondContact O-N 3.28Å | ||
| 558 | D | 50.2 | Low | 68.8 | Low | 123 Ų | 123 | 65.5 Ų | 65.5 | 66% | 0.658 | 37% | 0.369 | S | S | * | . | trans | -72.6 | 88.2 | 173.6 | -94.9 | -9.8 | 0 | 0 | 0 | 111 | D556 R560 | D556-D558 PolarHBondContact O-N 3.29Å; D556-D558 VanDerWaalsContact O-N 3.08Å; D558-R560 PolarHBondContact O-N 3.4Å | ||
| 559 | V | 54.3 | Low | 69.7 | Low | 141 Ų | 141 | 61.8 Ų | 61.8 | 86% | 0.855 | 35% | 0.346 | S | S | * | . | trans | -53.8 | 82.8 | 178.4 | -171 | 0 | 0 | 0 | 0 | 112.2 | T557 | T557-V559 VanDerWaalsContact C-N 3.32Å; T557-V559 VanDerWaalsContact O-CG2 3.26Å; T557-V559 WeakPolarHBondContact O-CG2 3.47Å; T557-V559 PolarHBondContact O-N 3.28Å | ||
| 560 | R | 56.3 | Low | 70.9 | Confident | 214 Ų | 214 | 60.7 Ų | 60.7 | 81% | 0.808 | 34% | 0.338 | S | S | * | . | trans | -121.8 | -36.4 | 162.2 | -94.1 | -174.3 | 179.8 | -171.7 | 2 | 114.4 | D558 P562 | D558-R560 PolarHBondContact O-N 3.4Å; R560-P562 WeakPolarHBondContact O-CD 3.46Å | ||
| 561 | A | 60.3 | Low | 72.4 | Confident | 26 Ų | 26 | 63.3 Ų | 63.3 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | trans | -83.3 | 120.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F527 I563 | F527-A561 HydrophobicContact CD1-CB 4.14Å; F527-A561 HydrophobicContact CE1-CB 4.22Å; A561-I563 PolarHBondContact O-N 2.81Å | ||
| 562 | P | 69.6 | Low | 73.8 | Confident | 81 Ų | 81 | 64.6 Ų | 64.6 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -74.3 | -6.8 | 179.7 | 28.7 | -33.5 | 0 | 0 | 0 | 113.8 | R560 N592 | R560-P562 WeakPolarHBondContact O-CD 3.46Å; P562-N592 WeakPolarHBondContact O-CB 3.3Å |
| 563 | I | 84.6 | Confident | 75.3 | Confident | 59 Ų | 59 | 59.4 Ų | 59.4 | 30% | 0.303 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -138.9 | 125.9 | -169.8 | -58.4 | 173.8 | 0 | 0 | 0 | 108.4 | F527 H531 A561 H567 L568 | F527-I563 HydrophobicContact CE1-CB 4.27Å; H531-I563 PolarHBondContact CD2-O 2.81Å; H531-I563 PolarHBondContact NE2-O 2.91Å; A561-I563 PolarHBondContact O-N 2.81Å; I563-H567 HydrophobicContact CG2-CB 3.51Å; I563-L568 HydrophobicContact CG2-CD2 3.98Å; I563-L568 HydrophobicContact CG2-CG 3.93Å |
| 564 | S | 87.6 | Confident | 76.6 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 18% | 0.175 | 32% | 0.321 | C | S | . | . | trans | -79.9 | 161.5 | 177 | 76 | 0 | 0 | 0 | 0 | 112.5 | L566 H567 L568 V590 | S564-L566 PolarHBondContact O-N 2.94Å; S564-H567 PolarHBondContact N-ND1 2.93Å; S564-H567 WeakPolarHBondContact O-CB 3.35Å; S564-H567 PolarHBondContact O-N 3.32Å; S564-H567 PolarHBondContact OG-N 3.04Å; S564-H567 PolarHBondContact OG-ND1 3.14Å; S564-L568 PolarHBondContact O-N 3.46Å; S564-V590 WeakPolarHBondContact OG-CG1 3.05Å | ||
| 565 | P | 89.1 | Confident | 77.9 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.019 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.9 | -35 | 176.8 | -23 | 34.2 | 0 | 0 | 0 | 112.8 | V530 H531 S534 V554 H567 L568 A569 L581 | V530-P565 HydrophobicContact CG1-CB 4.11Å; V530-P565 HydrophobicContact CG1-CG 4.06Å; H531-P565 WeakPolarHBondContact NE2-CD 3.23Å; S534-P565 WeakPolarHBondContact CB-O 3.43Å; S534-P565 WeakPolarHBondContact OG-CB 3.17Å; V554-P565 HydrophobicContact CG1-CG 4.18Å; P565-H567 VanDerWaalsContact C-N 3.34Å; P565-H567 PolarHBondContact O-N 3Å; P565-L568 PolarHBondContact O-N 3.3Å; P565-L568 VanDerWaalsContact O-N 3.15Å; P565-A569 PolarHBondContact O-N 2.99Å; P565-L581 HydrophobicContact CB-CD1 4.32Å; P565-L581 HydrophobicContact CB-CD2 4.33Å |
| 566 | L | 89.4 | Confident | 79.3 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64 | -37.1 | 177.3 | -168.6 | 60.3 | 0 | 0 | 0 | 112.3 | S564 L568 A570 M578 L581 V582 L588 P598 L614 | S564-L566 PolarHBondContact O-N 2.94Å; L566-L568 VanDerWaalsContact C-N 3.35Å; L566-A570 WeakPolarHBondContact O-CB 3.41Å; L566-A570 PolarHBondContact O-N 3.12Å; L566-M578 HydrophobicContact CD1-CE 4.33Å; L566-M578 HydrophobicContact CD1-CG 3.88Å; L566-L581 HydrophobicContact CD1-CB 4.29Å; L566-L581 HydrophobicContact CD1-CD1 4.5Å; L566-V582 HydrophobicContact CD1-CG2 3.93Å; L566-L588 HydrophobicContact CD2-CD2 3.86Å; L566-P598 HydrophobicContact CB-CG 4.06Å; L566-P598 HydrophobicContact CD2-CB 4.2Å; L566-P598 HydrophobicContact CD2-CG 3.8Å; L566-P598 HydrophobicContact CG-CB 3.81Å; L566-P598 HydrophobicContact CG-CG 3.69Å; L566-L614 HydrophobicContact CD1-CD2 4.31Å; L566-L614 HydrophobicContact CD2-CD2 4.29Å |
| 567 | H | 90.6 | Very high | 81 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 173.3 | -71.6 | 101.5 | 0 | 0 | 0 | 112.2 | I563 S564 P565 Y571 V590 N592 R596 L601 | I563-H567 HydrophobicContact CG2-CB 3.51Å; S564-H567 PolarHBondContact N-ND1 2.93Å; S564-H567 WeakPolarHBondContact O-CB 3.35Å; S564-H567 PolarHBondContact O-N 3.32Å; S564-H567 PolarHBondContact OG-N 3.04Å; S564-H567 PolarHBondContact OG-ND1 3.14Å; P565-H567 VanDerWaalsContact C-N 3.34Å; P565-H567 PolarHBondContact O-N 3Å; H567-Y571 VanDerWaalsContact O-CB 3.24Å; H567-Y571 WeakPolarHBondContact O-CB 3.32Å; H567-Y571 PolarHBondContact O-N 3.47Å; H567-V590 PolarHBondContact CE1-O 3.41Å; H567-V590 VanDerWaalsContact CE1-O 3.28Å; H567-V590 PolarHBondContact NE2-O 2.88Å; H567-N592 PolarHBondContact CE1-N 3.06Å; H567-N592 PolarHBondContact NE2-N 3.12Å; H567-R596 PolarHBondContact NE2-O 3.27Å; H567-L601 HydrophobicContact CB-CD1 3.91Å |
| 568 | L | 91.8 | Very high | 82.8 | Confident | 27 Ų | 27 | 52.9 Ų | 52.9 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.9 | -47.5 | 179.5 | -66.8 | 170.6 | 0 | 0 | 0 | 110.7 | H531 A535 I563 S564 P565 L566 A570 Y571 H572 | H531-L568 HydrophobicContact CB-CD1 3.88Å; A535-L568 HydrophobicContact CB-CB 4.31Å; A535-L568 HydrophobicContact CB-CD1 4.34Å; I563-L568 HydrophobicContact CG2-CD2 3.98Å; I563-L568 HydrophobicContact CG2-CG 3.93Å; S564-L568 PolarHBondContact O-N 3.46Å; P565-L568 PolarHBondContact O-N 3.3Å; P565-L568 VanDerWaalsContact O-N 3.15Å; L566-L568 VanDerWaalsContact C-N 3.35Å; L568-A570 VanDerWaalsContact C-N 3.31Å; L568-A570 PolarHBondContact O-N 3.11Å; L568-Y571 PolarHBondContact O-N 2.73Å; L568-H572 PolarHBondContact O-CD2 2.84Å; L568-H572 PolarHBondContact O-N 2.69Å |
| 569 | A | 92.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59 | -43.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P565 G573 H574 M578 L581 | P565-A569 PolarHBondContact O-N 2.99Å; A569-G573 PolarHBondContact O-N 3.02Å; A569-H574 PolarHBondContact O-N 2.82Å; A569-M578 HydrophobicContact CB-CE 4.38Å; A569-L581 HydrophobicContact CB-CD1 3.99Å |
| 570 | A | 93.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.3 | -39.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L566 L568 M578 P598 A602 H607 | L566-A570 WeakPolarHBondContact O-CB 3.41Å; L566-A570 PolarHBondContact O-N 3.12Å; L568-A570 VanDerWaalsContact C-N 3.31Å; L568-A570 PolarHBondContact O-N 3.11Å; A570-M578 HydrophobicContact CB-CE 3.5Å; A570-M578 VanDerWaalsContact CB-CE 3.5Å; A570-P598 HydrophobicContact CB-CB 3.83Å; A570-P598 VanDerWaalsContact CB-O 3.29Å; A570-P598 WeakPolarHBondContact CB-O 3.24Å; A570-A602 HydrophobicContact CB-CB 4.18Å; A570-H607 PolarHBondContact O-CD2 3.25Å |
| 571 | Y | 93.8 | Very high | 87.7 | Confident | 91 Ų | 91 | 34.5 Ų | 34.5 | 36% | 0.357 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -69.8 | -38.4 | 179.7 | -175.5 | -89.8 | 0 | 0 | 0 | 112.3 | H567 L568 L601 K605 H607 | H567-Y571 VanDerWaalsContact O-CB 3.24Å; H567-Y571 WeakPolarHBondContact O-CB 3.32Å; H567-Y571 PolarHBondContact O-N 3.47Å; L568-Y571 PolarHBondContact O-N 2.73Å; Y571-L601 HydrophobicContact CD2-CD1 4.5Å; Y571-L601 HydrophobicContact CD2-CD2 4.41Å; Y571-K605 HydrophobicContact CD2-CG 4.27Å; Y571-K605 HydrophobicContact CE2-CD 4.41Å; Y571-K605 HydrophobicContact CE2-CG 4.43Å; Y571-K605 VanDerWaalsContact OH-CE 3.29Å; Y571-K605 WeakPolarHBondContact OH-CE 3.39Å; Y571-K605 PolarHBondContact OH-NZ 3.18Å; Y571-H607 PolarHBondContact O-NE2 3.13Å |
| 572 | H | 93.5 | Very high | 88.9 | Confident | 91 Ų | 91 | 33.8 Ų | 33.8 | 42% | 0.421 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -88.7 | -9.9 | -179.2 | -71.4 | -75 | 0 | 0 | 0 | 114.1 | L568 H574 | L568-H572 PolarHBondContact O-CD2 2.84Å; L568-H572 PolarHBondContact O-N 2.69Å; H572-H574 VanDerWaalsContact CB-CD2 3.44Å; H572-H574 WeakPolarHBondContact CB-CD2 3.49Å; H572-H574 WeakPolarHBondContact CB-NE2 3.37Å |
| 573 | G | 93.2 | Very high | 89.5 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 18% | 0.175 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 24.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | A569 H575 H607 C610 | A569-G573 PolarHBondContact O-N 3.02Å; G573-H575 PolarHBondContact O-N 3.13Å; G573-H607 WeakPolarHBondContact CA-CD2 3.19Å; G573-H607 PolarHBondContact N-CD2 3.48Å; G573-H607 PolarHBondContact N-NE2 3.41Å; G573-C610 VanDerWaalsContact C-SG 3.5Å |
| 574 | H | 93.3 | Very high | 88.9 | Confident | 55 Ų | 55 | 35.1 Ų | 35.1 | 26% | 0.255 | 17% | 0.173 | S | C | . | . | trans | -84.4 | 77.3 | -177.1 | -62.7 | -49.9 | 0 | 0 | 0 | 111.4 | S534 A535 G537 A569 H572 Q576 A577 M578 | S534-H574 PolarHBondContact O-CD2 2.87Å; A535-H574 PolarHBondContact O-CD2 3.28Å; A535-H574 PolarHBondContact O-NE2 3.47Å; A535-H574 VanDerWaalsContact O-NE2 3.12Å; G537-H574 VanDerWaalsContact CA-CD2 3.49Å; G537-H574 WeakPolarHBondContact CA-CD2 3.44Å; G537-H574 PolarHBondContact N-CD2 2.65Å; A569-H574 PolarHBondContact O-N 2.82Å; H572-H574 VanDerWaalsContact CB-CD2 3.44Å; H572-H574 WeakPolarHBondContact CB-CD2 3.49Å; H572-H574 WeakPolarHBondContact CB-NE2 3.37Å; H574-Q576 PolarHBondContact O-N 3.36Å; H574-A577 HydrophobicContact CB-CB 3.96Å; H574-A577 PolarHBondContact O-N 3.45Å; H574-M578 WeakPolarHBondContact O-CB 3.44Å; H574-M578 PolarHBondContact O-N 3.27Å | ||
| 575 | H | 90.4 | Very high | 87.6 | Confident | 63 Ų | 63 | 41.3 Ų | 41.3 | 29% | 0.292 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.3 | -38.2 | -174.4 | 71.4 | 85.2 | 0 | 0 | 0 | 113.4 | G573 M578 E579 E609 I613 | G573-H575 PolarHBondContact O-N 3.13Å; H575-M578 WeakPolarHBondContact O-CB 3.45Å; H575-M578 PolarHBondContact O-N 3.42Å; H575-E579 PolarHBondContact O-N 3.35Å; H575-E609 HydrophobicContact CB-CB 3.83Å; H575-I613 HydrophobicContact CB-CD1 3.78Å |
| 576 | Q | 88.1 | Confident | 86.6 | Confident | 91 Ų | 91 | 42.3 Ų | 42.3 | 43% | 0.425 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.9 | -40.8 | 177.9 | -64.9 | -175.2 | -1.9 | 0 | 0 | 112.6 | R539 H574 M578 E579 | R539-Q576 HydrophobicContact CB-CB 4.22Å; R539-Q576 HydrophobicContact CG-CB 4.47Å; H574-Q576 PolarHBondContact O-N 3.36Å; Q576-M578 VanDerWaalsContact C-N 3.3Å; Q576-E579 PolarHBondContact O-N 2.91Å |
| 577 | A | 88.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L542 H574 E579 V580 L581 | L542-A577 HydrophobicContact CD1-CB 3.42Å; L542-A577 VanDerWaalsContact CD1-CB 3.42Å; H574-A577 HydrophobicContact CB-CB 3.96Å; H574-A577 PolarHBondContact O-N 3.45Å; A577-E579 PolarHBondContact O-N 3.14Å; A577-V580 PolarHBondContact O-N 3.39Å; A577-L581 WeakPolarHBondContact O-CG 3.41Å; A577-L581 PolarHBondContact O-N 2.96Å; A577-L581 VanDerWaalsContact O-N 3.15Å |
| 578 | M | 88.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -38.8 | 177.3 | -175.4 | 173.4 | -70.2 | 0 | 0 | 112.8 | L566 A569 A570 H574 H575 Q576 V580 L581 V582 C610 I613 L614 | L566-M578 HydrophobicContact CD1-CE 4.33Å; L566-M578 HydrophobicContact CD1-CG 3.88Å; A569-M578 HydrophobicContact CB-CE 4.38Å; A570-M578 HydrophobicContact CB-CE 3.5Å; A570-M578 VanDerWaalsContact CB-CE 3.5Å; H574-M578 WeakPolarHBondContact O-CB 3.44Å; H574-M578 PolarHBondContact O-N 3.27Å; H575-M578 WeakPolarHBondContact O-CB 3.45Å; H575-M578 PolarHBondContact O-N 3.42Å; Q576-M578 VanDerWaalsContact C-N 3.3Å; M578-V580 VanDerWaalsContact C-N 3.29Å; M578-V580 PolarHBondContact O-N 2.9Å; M578-L581 PolarHBondContact O-N 3.47Å; M578-V582 HydrophobicContact CG-CG2 3.94Å; M578-V582 WeakPolarHBondContact O-CB 3.36Å; M578-V582 VanDerWaalsContact O-CG2 3.24Å; M578-V582 WeakPolarHBondContact O-CG2 3.25Å; M578-V582 PolarHBondContact O-N 3.32Å; M578-C610 HydrophobicContact CE-CB 3.78Å; M578-C610 HydrophobicContact SD-CB 3.77Å; M578-I613 HydrophobicContact CG-CG2 4.24Å; M578-I613 HydrophobicContact SD-CG2 4.46Å; M578-L614 HydrophobicContact CE-CD1 4.08Å; M578-L614 HydrophobicContact CE-CG 4.4Å; M578-L614 HydrophobicContact SD-CD1 3.88Å; M578-L614 HydrophobicContact SD-CD2 3.99Å; M578-L614 HydrophobicContact SD-CG 3.59Å; M578-L614 VanDerWaalsContact SD-CG 3.59Å |
| 579 | E | 88.9 | Confident | 85.4 | Confident | 81 Ų | 81 | 49 Ų | 49 | 38% | 0.379 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.1 | -44.1 | 175.9 | -72 | 172.1 | -170 | 0 | 0 | 112 | H575 Q576 A577 Q583 I613 | H575-E579 PolarHBondContact O-N 3.35Å; Q576-E579 PolarHBondContact O-N 2.91Å; A577-E579 PolarHBondContact O-N 3.14Å; E579-Q583 WeakPolarHBondContact O-CB 3.24Å; E579-Q583 WeakPolarHBondContact O-CG 3.47Å; E579-Q583 PolarHBondContact O-N 2.92Å; E579-Q583 VanDerWaalsContact O-N 3.11Å; E579-I613 HydrophobicContact CG-CD1 3.79Å; E579-I613 HydrophobicContact CG-CG1 4.47Å; E579-I613 HydrophobicContact CG-CG2 4.44Å |
| 580 | V | 87.5 | Confident | 85.1 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.7 | -44.1 | 179.2 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | R539 L542 E543 M546 A577 M578 S584 | R539-V580 HydrophobicContact CG-CG2 3.44Å; R539-V580 VanDerWaalsContact CG-CG2 3.44Å; L542-V580 HydrophobicContact CB-CG1 4.07Å; E543-V580 HydrophobicContact CG-CB 4.47Å; E543-V580 HydrophobicContact CG-CG1 3.86Å; E543-V580 HydrophobicContact CG-CG2 3.7Å; M546-V580 HydrophobicContact CG-CG1 4.5Å; A577-V580 PolarHBondContact O-N 3.39Å; M578-V580 VanDerWaalsContact C-N 3.29Å; M578-V580 PolarHBondContact O-N 2.9Å; V580-S584 PolarHBondContact O-N 3.43Å; V580-S584 PolarHBondContact O-OG 3.12Å |
| 581 | L | 87.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 178.8 | -68.5 | 173.3 | 0 | 0 | 0 | 111.7 | V530 L542 P565 L566 A569 A577 M578 S584 L586 | V530-L581 HydrophobicContact CG1-CD2 4.17Å; L542-L581 HydrophobicContact CD1-CG 4.37Å; L542-L581 HydrophobicContact CD2-CD2 4.16Å; P565-L581 HydrophobicContact CB-CD1 4.32Å; P565-L581 HydrophobicContact CB-CD2 4.33Å; L566-L581 HydrophobicContact CD1-CB 4.29Å; L566-L581 HydrophobicContact CD1-CD1 4.5Å; A569-L581 HydrophobicContact CB-CD1 3.99Å; A577-L581 WeakPolarHBondContact O-CG 3.41Å; A577-L581 PolarHBondContact O-N 2.96Å; A577-L581 VanDerWaalsContact O-N 3.15Å; M578-L581 PolarHBondContact O-N 3.47Å; L581-S584 PolarHBondContact O-N 2.84Å; L581-L586 HydrophobicContact CB-CD1 4.02Å; L581-L586 WeakPolarHBondContact O-CD1 3.5Å; L581-L586 WeakPolarHBondContact O-CG 3.41Å |
| 582 | V | 85.6 | Confident | 84.5 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.7 | -35.8 | -177.5 | 174.1 | 0 | 0 | 0 | 0 | 112 | L566 M578 S584 L585 L588 L614 Q617 | L566-V582 HydrophobicContact CD1-CG2 3.93Å; M578-V582 HydrophobicContact CG-CG2 3.94Å; M578-V582 WeakPolarHBondContact O-CB 3.36Å; M578-V582 VanDerWaalsContact O-CG2 3.24Å; M578-V582 WeakPolarHBondContact O-CG2 3.25Å; M578-V582 PolarHBondContact O-N 3.32Å; V582-S584 PolarHBondContact O-N 3.21Å; V582-L585 PolarHBondContact O-N 3.37Å; V582-L588 HydrophobicContact CB-CD2 4.3Å; V582-L588 HydrophobicContact CG1-CD1 4.43Å; V582-L588 HydrophobicContact CG1-CD2 3.87Å; V582-L588 HydrophobicContact CG2-CD2 3.79Å; V582-L614 HydrophobicContact CG2-CD2 4.24Å; V582-Q617 HydrophobicContact CG1-CB 3.54Å; V582-Q617 HydrophobicContact CG1-CG 3.46Å; V582-Q617 VanDerWaalsContact CG1-CG 3.46Å |
| 583 | Q | 81.9 | Confident | 84 | Confident | 145 Ų | 145 | 52.2 Ų | 52.2 | 68% | 0.678 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.7 | -21.9 | 174.1 | -75 | 172.4 | 18.6 | 0 | 0 | 113.3 | E579 L585 | E579-Q583 WeakPolarHBondContact O-CB 3.24Å; E579-Q583 WeakPolarHBondContact O-CG 3.47Å; E579-Q583 PolarHBondContact O-N 2.92Å; E579-Q583 VanDerWaalsContact O-N 3.11Å; Q583-L585 PolarHBondContact O-N 2.67Å |
| 584 | S | 71.8 | Confident | 83.7 | Confident | 23 Ų | 23 | 56 Ų | 56 | 16% | 0.161 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 22.2 | -176.9 | -55.8 | 0 | 0 | 0 | 0 | 114.2 | T551 V580 L581 V582 | T551-S584 WeakPolarHBondContact CG2-O 3.44Å; V580-S584 PolarHBondContact O-N 3.43Å; V580-S584 PolarHBondContact O-OG 3.12Å; L581-S584 PolarHBondContact O-N 2.84Å; V582-S584 PolarHBondContact O-N 3.21Å |
| 585 | L | 60.7 | Low | 83.4 | Confident | 155 Ų | 155 | 53.4 Ų | 53.4 | 81% | 0.812 | 28% | 0.281 | S | S | * | . | trans | 56.7 | 50.7 | 175.9 | -66.2 | 166.1 | 0 | 0 | 0 | 114.3 | V582 Q583 | V582-L585 PolarHBondContact O-N 3.37Å; Q583-L585 PolarHBondContact O-N 2.67Å | ||
| 586 | L | 66.8 | Low | 83.4 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 12% | 0.12 | 28% | 0.278 | C | S | . | . | trans | -86.8 | 147.3 | 174 | -62.7 | 174.5 | 0 | 0 | 0 | 112.1 | V554 N555 L581 L588 | V554-L586 HydrophobicContact CB-CD2 3.65Å; V554-L586 HydrophobicContact CG1-CD1 3.86Å; V554-L586 HydrophobicContact CG1-CD2 3.24Å; V554-L586 HydrophobicContact CG1-CG 4.2Å; N555-L586 WeakPolarHBondContact OD1-CD2 3.27Å; L581-L586 HydrophobicContact CB-CD1 4.02Å; L581-L586 WeakPolarHBondContact O-CD1 3.5Å; L581-L586 WeakPolarHBondContact O-CG 3.41Å; L586-L588 PolarHBondContact O-N 3.21Å; L586-L588 VanDerWaalsContact O-N 3.12Å | ||
| 587 | D | 79.3 | Confident | 83.6 | Confident | 106 Ų | 106 | 48.9 Ų | 48.9 | 57% | 0.567 | 26% | 0.258 | S | S | * | . | trans | -63.5 | 109.5 | 163.2 | -179 | 9.4 | 0 | 0 | 0 | 109.4 | D589 V590 | D587-D589 VanDerWaalsContact C-N 3.27Å; D587-D589 PolarHBondContact O-N 3.03Å; D587-D589 PolarHBondContact OD1-N 2.93Å; D587-D589 VanDerWaalsContact OD1-N 3.1Å; D587-V590 PolarHBondContact O-N 3.11Å | ||
| 588 | L | 83.5 | Confident | 83.8 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -22.6 | -177.2 | -58 | -178.3 | 0 | 0 | 0 | 112.7 | L566 V582 L586 V590 L614 Q617 A619 | L566-L588 HydrophobicContact CD2-CD2 3.86Å; V582-L588 HydrophobicContact CB-CD2 4.3Å; V582-L588 HydrophobicContact CG1-CD1 4.43Å; V582-L588 HydrophobicContact CG1-CD2 3.87Å; V582-L588 HydrophobicContact CG2-CD2 3.79Å; L586-L588 PolarHBondContact O-N 3.21Å; L586-L588 VanDerWaalsContact O-N 3.12Å; L588-V590 VanDerWaalsContact C-N 3.32Å; L588-L614 HydrophobicContact CD2-CD2 4.38Å; L588-Q617 HydrophobicContact CD1-CB 3.85Å; L588-Q617 WeakPolarHBondContact CD1-O 3.18Å; L588-A619 HydrophobicContact CB-CB 4.06Å; L588-A619 HydrophobicContact CD1-CB 4.31Å |
| 589 | D | 85.4 | Confident | 84 | Confident | 44 Ų | 44 | 48.9 Ų | 48.9 | 24% | 0.235 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 18 | -177.8 | -70.3 | -29.2 | 0 | 0 | 0 | 112.6 | D587 R591 S620 V623 | D587-D589 VanDerWaalsContact C-N 3.27Å; D587-D589 PolarHBondContact O-N 3.03Å; D587-D589 PolarHBondContact OD1-N 2.93Å; D587-D589 VanDerWaalsContact OD1-N 3.1Å; D589-R591 WeakPolarHBondContact O-CG 3.48Å; D589-R591 PolarHBondContact O-N 3.31Å; D589-S620 PolarHBondContact OD1-N 3.39Å; D589-S620 WeakPolarHBondContact OD2-CB 3.22Å; D589-V623 HydrophobicContact CB-CG2 4.37Å |
| 590 | V | 86.1 | Confident | 84.2 | Confident | 46 Ų | 46 | 45.6 Ų | 45.6 | 28% | 0.279 | 24% | 0.243 | S | C | . | . | trans | -55.2 | 136.1 | 174.9 | 70.5 | 0 | 0 | 0 | 0 | 110.4 | S564 H567 D587 L588 P598 | S564-V590 WeakPolarHBondContact OG-CG1 3.05Å; H567-V590 PolarHBondContact CE1-O 3.41Å; H567-V590 VanDerWaalsContact CE1-O 3.28Å; H567-V590 PolarHBondContact NE2-O 2.88Å; D587-V590 PolarHBondContact O-N 3.11Å; L588-V590 VanDerWaalsContact C-N 3.32Å; V590-P598 HydrophobicContact CG1-CG 4.08Å; V590-P598 VanDerWaalsContact O-CD 3.32Å; V590-P598 WeakPolarHBondContact O-CD 3.26Å | ||
| 591 | R | 87.1 | Confident | 84.5 | Confident | 121 Ų | 121 | 45.4 Ų | 45.4 | 46% | 0.457 | 24% | 0.241 | S | C | . | . | trans | -112.7 | 131.9 | -173.6 | -58 | -174.7 | -168.1 | -178.5 | 3.9 | 111.3 | D589 R596 T597 V623 | D589-R591 WeakPolarHBondContact O-CG 3.48Å; D589-R591 PolarHBondContact O-N 3.31Å; R591-R596 WeakPolarHBondContact CA-O 3.1Å; R591-T597 HydrophobicContact CG-CG2 4.28Å; R591-V623 VanDerWaalsContact CZ-CG1 3.47Å | ||
| 592 | N | 86.9 | Confident | 85 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 6% | 0.064 | 24% | 0.241 | C | C | . | . | trans | -73.3 | -180 | 170.4 | 66 | 27 | 0 | 0 | 0 | 112 | P562 H567 Q594 G595 R596 | P562-N592 WeakPolarHBondContact O-CB 3.3Å; H567-N592 PolarHBondContact CE1-N 3.06Å; H567-N592 PolarHBondContact NE2-N 3.12Å; N592-Q594 PolarHBondContact O-N 3.06Å; N592-Q594 PolarHBondContact OD1-N 3.22Å; N592-G595 PolarHBondContact O-N 3.5Å; N592-G595 PolarHBondContact OD1-N 3.37Å; N592-R596 PolarHBondContact N-O 3.21Å; N592-R596 PolarHBondContact OD1-N 2.89Å; N592-R596 VanDerWaalsContact OD1-N 3.11Å | ||
| 593 | G | 83.6 | Confident | 85.4 | Confident | 71 Ų | 71 | 44.8 Ų | 44.8 | 73% | 0.732 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -15.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 594 | Q | 85.4 | Confident | 86 | Confident | 97 Ų | 97 | 41.5 Ų | 41.5 | 45% | 0.453 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 0.2 | 174.6 | -65 | 175.5 | 6 | 0 | 0 | 112.9 | N592 R596 F626 | N592-Q594 PolarHBondContact O-N 3.06Å; N592-Q594 PolarHBondContact OD1-N 3.22Å; Q594-R596 VanDerWaalsContact C-N 3.34Å; Q594-R596 HydrophobicContact CB-CG 4.27Å; Q594-R596 VanDerWaalsContact OE1-NE 3.1Å; Q594-F626 WeakPolarHBondContact O-CB 3.49Å; Q594-F626 PolarHBondContact O-N 3.01Å |
| 595 | G | 87.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 82.6 | 7.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | N592 F626 | N592-G595 PolarHBondContact O-N 3.5Å; N592-G595 PolarHBondContact OD1-N 3.37Å; G595-F626 VanDerWaalsContact N-CD2 3.32Å |
| 596 | R | 90.6 | Very high | 88.8 | Confident | 58 Ų | 58 | 37.5 Ų | 37.5 | 22% | 0.219 | 20% | 0.199 | C | C | . | . | trans | -83.2 | 141.7 | -177.6 | -58.2 | -179.7 | -68.3 | -178.4 | 2.1 | 110.1 | H567 R591 N592 Q594 D600 L601 D625 | H567-R596 PolarHBondContact NE2-O 3.27Å; R591-R596 WeakPolarHBondContact CA-O 3.1Å; N592-R596 PolarHBondContact N-O 3.21Å; N592-R596 PolarHBondContact OD1-N 2.89Å; N592-R596 VanDerWaalsContact OD1-N 3.11Å; Q594-R596 VanDerWaalsContact C-N 3.34Å; Q594-R596 HydrophobicContact CB-CG 4.27Å; Q594-R596 VanDerWaalsContact OE1-NE 3.1Å; R596-D600 HydrophobicContact CB-CB 4.39Å; R596-D600 WeakPolarHBondContact CB-OD2 3.4Å; R596-D600 WeakPolarHBondContact CD-OD2 3.31Å; R596-D600 VanDerWaalsContact CG-OD2 3.26Å; R596-D600 WeakPolarHBondContact CG-OD2 3.4Å; R596-L601 HydrophobicContact CB-CD2 4.34Å; R596-D625 HydrophobicContact CG-CB 3.99Å | ||
| 597 | T | 92.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | trans | -90.9 | 164.3 | 174.2 | 60.2 | 0 | 0 | 0 | 0 | 111.1 | R591 L599 D600 L601 V623 | R591-T597 HydrophobicContact CG-CG2 4.28Å; T597-L599 PolarHBondContact O-N 3.07Å; T597-D600 WeakPolarHBondContact O-CB 3.47Å; T597-D600 PolarHBondContact O-N 3.3Å; T597-D600 VanDerWaalsContact O-N 3.16Å; T597-D600 PolarHBondContact OG1-N 3.28Å; T597-L601 PolarHBondContact O-N 2.9Å; T597-L601 VanDerWaalsContact O-N 3.07Å; T597-V623 HydrophobicContact CG2-CB 3.76Å; T597-V623 HydrophobicContact CG2-CG1 3.44Å; T597-V623 VanDerWaalsContact CG2-CG1 3.44Å; T597-V623 HydrophobicContact CG2-CG2 4.15Å | ||
| 598 | P | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.6 | -39.4 | 169.6 | -26.8 | 35.1 | 0 | 0 | 0 | 112.6 | L566 A570 V590 D600 L601 A602 L614 | L566-P598 HydrophobicContact CB-CG 4.06Å; L566-P598 HydrophobicContact CD2-CB 4.2Å; L566-P598 HydrophobicContact CD2-CG 3.8Å; L566-P598 HydrophobicContact CG-CB 3.81Å; L566-P598 HydrophobicContact CG-CG 3.69Å; A570-P598 HydrophobicContact CB-CB 3.83Å; A570-P598 VanDerWaalsContact CB-O 3.29Å; A570-P598 WeakPolarHBondContact CB-O 3.24Å; V590-P598 HydrophobicContact CG1-CG 4.08Å; V590-P598 VanDerWaalsContact O-CD 3.32Å; V590-P598 WeakPolarHBondContact O-CD 3.26Å; P598-D600 PolarHBondContact O-N 3.18Å; P598-L601 PolarHBondContact O-N 2.96Å; P598-A602 WeakPolarHBondContact O-CB 3.43Å; P598-A602 PolarHBondContact O-N 3.17Å; P598-L614 HydrophobicContact CB-CD1 4.22Å |
| 599 | L | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.2 | -41.6 | 176.8 | -176.5 | 61.2 | 0 | 0 | 0 | 112.1 | T597 A602 A603 V611 L614 I615 A619 V621 P632 L648 | T597-L599 PolarHBondContact O-N 3.07Å; L599-A602 PolarHBondContact O-N 3.46Å; L599-A603 WeakPolarHBondContact O-CB 3.26Å; L599-A603 PolarHBondContact O-N 3.24Å; L599-V611 HydrophobicContact CD1-CB 4.41Å; L599-V611 HydrophobicContact CD1-CG1 4.09Å; L599-V611 HydrophobicContact CD1-CG2 4.34Å; L599-L614 HydrophobicContact CB-CD1 4.17Å; L599-L614 HydrophobicContact CD1-CB 3.99Å; L599-L614 HydrophobicContact CD1-CD1 4.22Å; L599-I615 HydrophobicContact CD1-CG1 4.12Å; L599-I615 HydrophobicContact CD2-CG1 4.48Å; L599-A619 HydrophobicContact CD2-CB 4.11Å; L599-V621 HydrophobicContact CD2-CG1 3.96Å; L599-P632 HydrophobicContact CB-CG 4.4Å; L599-P632 HydrophobicContact CD2-CG 4.18Å; L599-P632 HydrophobicContact CG-CB 4.14Å; L599-P632 HydrophobicContact CG-CG 4Å; L599-L648 HydrophobicContact CD1-CD2 4.13Å; L599-L648 HydrophobicContact CD2-CD2 4.18Å; L599-L648 HydrophobicContact CG-CD2 4.27Å |
| 600 | D | 93.3 | Very high | 92 | Very high | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.064 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 174.5 | -176.4 | 59.7 | 0 | 0 | 0 | 111.7 | R596 T597 P598 A603 F604 P632 A635 | R596-D600 HydrophobicContact CB-CB 4.39Å; R596-D600 WeakPolarHBondContact CB-OD2 3.4Å; R596-D600 WeakPolarHBondContact CD-OD2 3.31Å; R596-D600 VanDerWaalsContact CG-OD2 3.26Å; R596-D600 WeakPolarHBondContact CG-OD2 3.4Å; T597-D600 WeakPolarHBondContact O-CB 3.47Å; T597-D600 PolarHBondContact O-N 3.3Å; T597-D600 VanDerWaalsContact O-N 3.16Å; T597-D600 PolarHBondContact OG1-N 3.28Å; P598-D600 PolarHBondContact O-N 3.18Å; D600-A603 PolarHBondContact O-N 3.07Å; D600-F604 WeakPolarHBondContact O-CB 3.41Å; D600-F604 PolarHBondContact O-N 3.43Å; D600-P632 HydrophobicContact CB-CG 4.03Å; D600-A635 WeakPolarHBondContact OD1-CB 3.16Å |
| 601 | L | 94.4 | Very high | 92.4 | Very high | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.2 | -41.8 | 177.5 | -65.7 | -175.4 | 0 | 0 | 0 | 112.9 | H567 Y571 R596 T597 P598 F604 K605 | H567-L601 HydrophobicContact CB-CD1 3.91Å; Y571-L601 HydrophobicContact CD2-CD1 4.5Å; Y571-L601 HydrophobicContact CD2-CD2 4.41Å; R596-L601 HydrophobicContact CB-CD2 4.34Å; T597-L601 PolarHBondContact O-N 2.9Å; T597-L601 VanDerWaalsContact O-N 3.07Å; P598-L601 PolarHBondContact O-N 2.96Å; L601-F604 PolarHBondContact O-N 3.4Å; L601-K605 WeakPolarHBondContact O-CG 3.2Å; L601-K605 PolarHBondContact O-N 3.06Å |
| 602 | A | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.7 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | A570 P598 L599 K605 G606 H607 C610 V611 L614 | A570-A602 HydrophobicContact CB-CB 4.18Å; P598-A602 WeakPolarHBondContact O-CB 3.43Å; P598-A602 PolarHBondContact O-N 3.17Å; L599-A602 PolarHBondContact O-N 3.46Å; A602-K605 PolarHBondContact O-N 3.19Å; A602-G606 PolarHBondContact O-N 3.43Å; A602-H607 PolarHBondContact O-N 3Å; A602-C610 HydrophobicContact CB-CB 4.01Å; A602-V611 HydrophobicContact CB-CG2 3.76Å; A602-L614 HydrophobicContact CB-CD1 4.46Å |
| 603 | A | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66 | -37 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L599 D600 K605 V611 P632 A636 H641 L648 | L599-A603 WeakPolarHBondContact O-CB 3.26Å; L599-A603 PolarHBondContact O-N 3.24Å; D600-A603 PolarHBondContact O-N 3.07Å; A603-K605 VanDerWaalsContact C-N 3.3Å; A603-K605 PolarHBondContact O-N 3.45Å; A603-V611 HydrophobicContact CB-CG2 4.38Å; A603-P632 HydrophobicContact CB-CB 3.98Å; A603-A636 HydrophobicContact CB-CB 4.3Å; A603-H641 PolarHBondContact O-CD2 2.91Å; A603-H641 VanDerWaalsContact O-CD2 3.24Å; A603-L648 HydrophobicContact CB-CD1 3.94Å |
| 604 | F | 94.8 | Very high | 93.3 | Very high | 76 Ų | 76 | 30.1 Ų | 30.1 | 33% | 0.333 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -65.4 | -32.6 | 175.5 | -179.6 | -90.6 | 0 | 0 | 0 | 112.6 | D600 L601 A635 N639 H641 | D600-F604 WeakPolarHBondContact O-CB 3.41Å; D600-F604 PolarHBondContact O-N 3.43Å; L601-F604 PolarHBondContact O-N 3.4Å; F604-A635 HydrophobicContact CB-CB 4.04Å; F604-A635 HydrophobicContact CD2-CB 4.35Å; F604-N639 WeakPolarHBondContact CD2-ND2 3.39Å; F604-N639 WeakPolarHBondContact CE2-ND2 3.4Å; F604-N639 PolarHBondContact O-ND2 3.42Å; F604-H641 PolarHBondContact O-NE2 2.89Å |
| 605 | K | 96 | Very high | 93.4 | Very high | 76 Ų | 76 | 26.3 Ų | 26.3 | 33% | 0.33 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -94 | -15 | 179.4 | -70.1 | -63.6 | -168.9 | 174.9 | 0 | 114.4 | Y571 L601 A602 A603 H607 H641 | Y571-K605 HydrophobicContact CD2-CG 4.27Å; Y571-K605 HydrophobicContact CE2-CD 4.41Å; Y571-K605 HydrophobicContact CE2-CG 4.43Å; Y571-K605 VanDerWaalsContact OH-CE 3.29Å; Y571-K605 WeakPolarHBondContact OH-CE 3.39Å; Y571-K605 PolarHBondContact OH-NZ 3.18Å; L601-K605 WeakPolarHBondContact O-CG 3.2Å; L601-K605 PolarHBondContact O-N 3.06Å; A602-K605 PolarHBondContact O-N 3.19Å; A603-K605 VanDerWaalsContact C-N 3.3Å; A603-K605 PolarHBondContact O-N 3.45Å; K605-H607 VanDerWaalsContact CB-CD2 3.43Å; K605-H607 WeakPolarHBondContact CB-CD2 3.29Å; K605-H607 WeakPolarHBondContact CB-NE2 3.37Å; K605-H641 VanDerWaalsContact C-NE2 3.32Å |
| 606 | G | 95.3 | Very high | 93.5 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 19% | 0.186 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 25.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A602 V608 H641 | A602-G606 PolarHBondContact O-N 3.43Å; G606-V608 PolarHBondContact O-N 3.29Å; G606-V608 VanDerWaalsContact O-N 3.13Å; G606-H641 WeakPolarHBondContact CA-CD2 3.5Å; G606-H641 PolarHBondContact N-CD2 2.91Å; G606-H641 VanDerWaalsContact N-CD2 3.32Å; G606-H641 PolarHBondContact N-NE2 3.3Å |
| 607 | H | 96.8 | Very high | 93.4 | Very high | 49 Ų | 49 | 33.2 Ų | 33.2 | 23% | 0.227 | 17% | 0.167 | C | C | . | . | trans | -83.3 | 88.3 | -178.8 | -61.3 | -51.6 | 0 | 0 | 0 | 110.9 | A570 Y571 G573 A602 K605 E609 C610 V611 | A570-H607 PolarHBondContact O-CD2 3.25Å; Y571-H607 PolarHBondContact O-NE2 3.13Å; G573-H607 WeakPolarHBondContact CA-CD2 3.19Å; G573-H607 PolarHBondContact N-CD2 3.48Å; G573-H607 PolarHBondContact N-NE2 3.41Å; A602-H607 PolarHBondContact O-N 3Å; K605-H607 VanDerWaalsContact CB-CD2 3.43Å; K605-H607 WeakPolarHBondContact CB-CD2 3.29Å; K605-H607 WeakPolarHBondContact CB-NE2 3.37Å; H607-E609 PolarHBondContact O-N 3.49Å; H607-C610 HydrophobicContact CB-CB 3.96Å; H607-C610 PolarHBondContact O-N 2.94Å; H607-V611 WeakPolarHBondContact O-CG2 3.4Å; H607-V611 PolarHBondContact O-N 3.35Å | ||
| 608 | V | 95.4 | Very high | 93.1 | Very high | 43 Ų | 43 | 36 Ų | 36 | 26% | 0.261 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.9 | -47 | -170.9 | -177.7 | 0 | 0 | 0 | 0 | 112.3 | G606 C610 V611 D612 E643 L647 | G606-V608 PolarHBondContact O-N 3.29Å; G606-V608 VanDerWaalsContact O-N 3.13Å; V608-C610 PolarHBondContact O-N 2.96Å; V608-V611 WeakPolarHBondContact O-CB 3.4Å; V608-V611 PolarHBondContact O-N 3.31Å; V608-D612 WeakPolarHBondContact O-CB 3.35Å; V608-D612 PolarHBondContact O-N 3.39Å; V608-E643 HydrophobicContact CG1-CB 4.32Å; V608-E643 HydrophobicContact CG2-CB 3.65Å; V608-L647 HydrophobicContact CG1-CD1 3.51Å |
| 609 | E | 94.9 | Very high | 93 | Very high | 112 Ų | 112 | 36.5 Ų | 36.5 | 52% | 0.523 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.6 | -37.5 | -178.3 | -63 | 80.5 | 178.6 | 0 | 0 | 111.7 | H575 H607 D612 I613 | H575-E609 HydrophobicContact CB-CB 3.83Å; H607-E609 PolarHBondContact O-N 3.49Å; E609-D612 PolarHBondContact O-N 3.06Å; E609-I613 WeakPolarHBondContact O-CB 3.32Å; E609-I613 WeakPolarHBondContact O-CD1 3.25Å; E609-I613 WeakPolarHBondContact O-CG1 3.46Å; E609-I613 PolarHBondContact O-N 2.88Å |
| 610 | C | 94.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.8 | -40.7 | 174.6 | -68.6 | 0 | 0 | 0 | 0 | 111.3 | G573 M578 A602 H607 V608 L614 | G573-C610 VanDerWaalsContact C-SG 3.5Å; M578-C610 HydrophobicContact CE-CB 3.78Å; M578-C610 HydrophobicContact SD-CB 3.77Å; A602-C610 HydrophobicContact CB-CB 4.01Å; H607-C610 HydrophobicContact CB-CB 3.96Å; H607-C610 PolarHBondContact O-N 2.94Å; V608-C610 PolarHBondContact O-N 2.96Å; C610-L614 WeakPolarHBondContact O-CB 3.3Å; C610-L614 VanDerWaalsContact O-CG 3.26Å; C610-L614 WeakPolarHBondContact O-CG 3.21Å; C610-L614 PolarHBondContact O-N 3.02Å |
| 611 | V | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 175.3 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | L599 A602 A603 H607 V608 L614 I615 C644 L647 L648 | L599-V611 HydrophobicContact CD1-CB 4.41Å; L599-V611 HydrophobicContact CD1-CG1 4.09Å; L599-V611 HydrophobicContact CD1-CG2 4.34Å; A602-V611 HydrophobicContact CB-CG2 3.76Å; A603-V611 HydrophobicContact CB-CG2 4.38Å; H607-V611 WeakPolarHBondContact O-CG2 3.4Å; H607-V611 PolarHBondContact O-N 3.35Å; V608-V611 WeakPolarHBondContact O-CB 3.4Å; V608-V611 PolarHBondContact O-N 3.31Å; V611-L614 PolarHBondContact O-N 3Å; V611-I615 HydrophobicContact CG1-CD1 3.53Å; V611-I615 HydrophobicContact CG1-CG1 4.34Å; V611-I615 WeakPolarHBondContact O-CB 3.28Å; V611-I615 VanDerWaalsContact O-CG1 3.22Å; V611-I615 WeakPolarHBondContact O-CG1 3.47Å; V611-I615 PolarHBondContact O-N 2.91Å; V611-C644 HydrophobicContact CG2-CB 4.4Å; V611-L647 HydrophobicContact CG1-CB 4.37Å; V611-L648 HydrophobicContact CG1-CD2 4.16Å; V611-L648 HydrophobicContact CG1-CG 4.04Å |
| 612 | D | 93.3 | Very high | 92.1 | Very high | 60 Ų | 60 | 42.5 Ų | 42.5 | 32% | 0.321 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.3 | -48.5 | 178.2 | -174.2 | 54.8 | 0 | 0 | 0 | 112 | V608 E609 L614 I615 N616 L647 | V608-D612 WeakPolarHBondContact O-CB 3.35Å; V608-D612 PolarHBondContact O-N 3.39Å; E609-D612 PolarHBondContact O-N 3.06Å; D612-L614 PolarHBondContact O-N 3.04Å; D612-I615 PolarHBondContact O-N 3.27Å; D612-N616 VanDerWaalsContact CG-ND2 3.25Å; D612-N616 VanDerWaalsContact O-CB 3.31Å; D612-N616 WeakPolarHBondContact O-CB 3.32Å; D612-N616 VanDerWaalsContact O-CG 3.27Å; D612-N616 PolarHBondContact O-N 3.2Å; D612-N616 PolarHBondContact O-ND2 3.27Å; D612-N616 PolarHBondContact OD1-ND2 3.2Å; D612-N616 PolarHBondContact OD2-ND2 3.2Å; D612-L647 HydrophobicContact CB-CD1 4.03Å |
| 613 | I | 91.9 | Very high | 91.8 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 179 | -68.6 | 163.2 | 0 | 0 | 0 | 111.2 | H575 M578 E579 E609 Q617 | H575-I613 HydrophobicContact CB-CD1 3.78Å; M578-I613 HydrophobicContact CG-CG2 4.24Å; M578-I613 HydrophobicContact SD-CG2 4.46Å; E579-I613 HydrophobicContact CG-CD1 3.79Å; E579-I613 HydrophobicContact CG-CG1 4.47Å; E579-I613 HydrophobicContact CG-CG2 4.44Å; E609-I613 WeakPolarHBondContact O-CB 3.32Å; E609-I613 WeakPolarHBondContact O-CD1 3.25Å; E609-I613 WeakPolarHBondContact O-CG1 3.46Å; E609-I613 PolarHBondContact O-N 2.88Å; I613-Q617 WeakPolarHBondContact O-CB 3.4Å; I613-Q617 WeakPolarHBondContact O-CG 3.24Å; I613-Q617 PolarHBondContact O-N 3.36Å; I613-Q617 VanDerWaalsContact O-N 3.15Å |
| 614 | L | 91.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 179.6 | -72.9 | 169.5 | 0 | 0 | 0 | 112 | L566 M578 V582 L588 P598 L599 A602 C610 V611 D612 Q617 G618 A619 | L566-L614 HydrophobicContact CD1-CD2 4.31Å; L566-L614 HydrophobicContact CD2-CD2 4.29Å; M578-L614 HydrophobicContact CE-CD1 4.08Å; M578-L614 HydrophobicContact CE-CG 4.4Å; M578-L614 HydrophobicContact SD-CD1 3.88Å; M578-L614 HydrophobicContact SD-CD2 3.99Å; M578-L614 HydrophobicContact SD-CG 3.59Å; M578-L614 VanDerWaalsContact SD-CG 3.59Å; V582-L614 HydrophobicContact CG2-CD2 4.24Å; L588-L614 HydrophobicContact CD2-CD2 4.38Å; P598-L614 HydrophobicContact CB-CD1 4.22Å; L599-L614 HydrophobicContact CB-CD1 4.17Å; L599-L614 HydrophobicContact CD1-CB 3.99Å; L599-L614 HydrophobicContact CD1-CD1 4.22Å; A602-L614 HydrophobicContact CB-CD1 4.46Å; C610-L614 WeakPolarHBondContact O-CB 3.3Å; C610-L614 VanDerWaalsContact O-CG 3.26Å; C610-L614 WeakPolarHBondContact O-CG 3.21Å; C610-L614 PolarHBondContact O-N 3.02Å; V611-L614 PolarHBondContact O-N 3Å; D612-L614 PolarHBondContact O-N 3.04Å; L614-Q617 PolarHBondContact O-N 3.32Å; L614-G618 PolarHBondContact O-N 3.45Å; L614-A619 HydrophobicContact CB-CB 3.96Å; L614-A619 WeakPolarHBondContact O-CB 3.47Å; L614-A619 PolarHBondContact O-N 3.01Å |
| 615 | I | 89.6 | Confident | 91.3 | Very high | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.087 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.2 | -46.6 | 178.6 | -68.1 | 168.8 | 0 | 0 | 0 | 110.8 | L599 V611 D612 Q617 G618 L647 L648 H651 | L599-I615 HydrophobicContact CD1-CG1 4.12Å; L599-I615 HydrophobicContact CD2-CG1 4.48Å; V611-I615 HydrophobicContact CG1-CD1 3.53Å; V611-I615 HydrophobicContact CG1-CG1 4.34Å; V611-I615 WeakPolarHBondContact O-CB 3.28Å; V611-I615 VanDerWaalsContact O-CG1 3.22Å; V611-I615 WeakPolarHBondContact O-CG1 3.47Å; V611-I615 PolarHBondContact O-N 2.91Å; D612-I615 PolarHBondContact O-N 3.27Å; I615-Q617 PolarHBondContact O-N 3.24Å; I615-G618 PolarHBondContact O-N 3.3Å; I615-L647 HydrophobicContact CD1-CB 4.35Å; I615-L648 HydrophobicContact CD1-CD2 3.76Å; I615-L648 HydrophobicContact CD1-CG 4.21Å; I615-L648 HydrophobicContact CG1-CD2 4.38Å; I615-H651 HydrophobicContact CG2-CB 3.61Å; I615-H651 VanDerWaalsContact CG2-CG 3.42Å |
| 616 | N | 88.9 | Confident | 91 | Very high | 90 Ų | 90 | 45.4 Ų | 45.4 | 48% | 0.481 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.5 | -24.6 | 179.9 | -74.4 | -37.4 | 0 | 0 | 0 | 112.8 | D612 | D612-N616 VanDerWaalsContact CG-ND2 3.25Å; D612-N616 VanDerWaalsContact O-CB 3.31Å; D612-N616 WeakPolarHBondContact O-CB 3.32Å; D612-N616 VanDerWaalsContact O-CG 3.27Å; D612-N616 PolarHBondContact O-N 3.2Å; D612-N616 PolarHBondContact O-ND2 3.27Å; D612-N616 PolarHBondContact OD1-ND2 3.2Å; D612-N616 PolarHBondContact OD2-ND2 3.2Å |
| 617 | Q | 88.2 | Confident | 90.7 | Very high | 114 Ų | 114 | 49.5 Ų | 49.5 | 53% | 0.533 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 2.3 | 177 | -62.9 | -71.3 | -15.9 | 0 | 0 | 113.2 | V582 L588 I613 L614 I615 | V582-Q617 HydrophobicContact CG1-CB 3.54Å; V582-Q617 HydrophobicContact CG1-CG 3.46Å; V582-Q617 VanDerWaalsContact CG1-CG 3.46Å; L588-Q617 HydrophobicContact CD1-CB 3.85Å; L588-Q617 WeakPolarHBondContact CD1-O 3.18Å; I613-Q617 WeakPolarHBondContact O-CB 3.4Å; I613-Q617 WeakPolarHBondContact O-CG 3.24Å; I613-Q617 PolarHBondContact O-N 3.36Å; I613-Q617 VanDerWaalsContact O-N 3.15Å; L614-Q617 PolarHBondContact O-N 3.32Å; I615-Q617 PolarHBondContact O-N 3.24Å |
| 618 | G | 86.7 | Confident | 90.3 | Very high | 60 Ų | 60 | 50.5 Ų | 50.5 | 62% | 0.619 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | 19.8 | 171 | 0 | 0 | 0 | 0 | 0 | 116.1 | L614 I615 | L614-G618 PolarHBondContact O-N 3.45Å; I615-G618 PolarHBondContact O-N 3.3Å |
| 619 | A | 89.1 | Confident | 90.1 | Very high | 9 Ų | 9 | 52.9 Ų | 52.9 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | trans | -63 | 140.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L588 L599 L614 V621 | L588-A619 HydrophobicContact CB-CB 4.06Å; L588-A619 HydrophobicContact CD1-CB 4.31Å; L599-A619 HydrophobicContact CD2-CB 4.11Å; L614-A619 HydrophobicContact CB-CB 3.96Å; L614-A619 WeakPolarHBondContact O-CB 3.47Å; L614-A619 PolarHBondContact O-N 3.01Å; A619-V621 PolarHBondContact O-N 3.43Å | ||
| 620 | S | 88.6 | Confident | 89.9 | Confident | 37 Ų | 37 | 50 Ų | 50 | 26% | 0.259 | 27% | 0.268 | S | S | . | . | trans | -83.1 | 121 | -174.2 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | D589 L622 | D589-S620 PolarHBondContact OD1-N 3.39Å; D589-S620 WeakPolarHBondContact OD2-CB 3.22Å; S620-L622 PolarHBondContact O-N 2.82Å; S620-L622 PolarHBondContact OG-N 2.63Å | ||
| 621 | V | 88.4 | Confident | 89.8 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -8.2 | 174.2 | -60.4 | 0 | 0 | 0 | 0 | 113.7 | L599 A619 L648 M657 | L599-V621 HydrophobicContact CD2-CG1 3.96Å; A619-V621 PolarHBondContact O-N 3.43Å; V621-L648 HydrophobicContact CG1-CD2 3.75Å; V621-M657 HydrophobicContact CG2-SD 3.91Å |
| 622 | L | 86.7 | Confident | 89.7 | Confident | 88 Ų | 88 | 49.9 Ų | 49.9 | 46% | 0.461 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -5.8 | -173.5 | -64.8 | 179.6 | 0 | 0 | 0 | 113.6 | S620 K624 M657 I660 | S620-L622 PolarHBondContact O-N 2.82Å; S620-L622 PolarHBondContact OG-N 2.63Å; L622-K624 PolarHBondContact O-N 3.17Å; L622-M657 HydrophobicContact CD1-CE 4.04Å; L622-M657 HydrophobicContact CD2-CE 4.07Å; L622-M657 HydrophobicContact CD2-CG 4.18Å; L622-M657 HydrophobicContact CD2-SD 3.77Å; L622-M657 HydrophobicContact CG-CE 4.26Å; L622-M657 HydrophobicContact CG-SD 4.39Å; L622-I660 HydrophobicContact CD2-CD1 3.67Å |
| 623 | V | 88.6 | Confident | 89.7 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 127.6 | -179.2 | -179 | 0 | 0 | 0 | 0 | 109.8 | D589 R591 T597 | D589-V623 HydrophobicContact CB-CG2 4.37Å; R591-V623 VanDerWaalsContact CZ-CG1 3.47Å; T597-V623 HydrophobicContact CG2-CB 3.76Å; T597-V623 HydrophobicContact CG2-CG1 3.44Å; T597-V623 VanDerWaalsContact CG2-CG1 3.44Å; T597-V623 HydrophobicContact CG2-CG2 4.15Å |
| 624 | K | 89.6 | Confident | 89.8 | Confident | 79 Ų | 79 | 46 Ų | 46 | 34% | 0.343 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -99.9 | 137.1 | 178 | -66.7 | -175.3 | 177 | -158.8 | 0 | 110.7 | L622 K629 R630 T631 Q661 | L622-K624 PolarHBondContact O-N 3.17Å; K624-K629 HydrophobicContact CD-CB 4.2Å; K624-K629 WeakPolarHBondContact CD-O 3.26Å; K624-R630 CarbonylContact C-O 3.45Å; K624-R630 VanDerWaalsContact CA-O 3.28Å; K624-R630 WeakPolarHBondContact CA-O 3.24Å; K624-T631 HydrophobicContact CG-CG2 3.8Å; K624-Q661 PolarHBondContact NZ-O 3.16Å |
| 625 | D | 90.9 | Very high | 89.9 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 9% | 0.086 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 164.6 | 169.6 | 79.8 | -13.2 | 0 | 0 | 0 | 111.5 | R596 L628 K629 R630 | R596-D625 HydrophobicContact CG-CB 3.99Å; D625-L628 VanDerWaalsContact OD1-C 3.32Å; D625-L628 PolarHBondContact OD1-N 2.99Å; D625-L628 PolarHBondContact OD2-N 3.01Å; D625-K629 WeakPolarHBondContact OD1-CA 3.27Å; D625-K629 PolarHBondContact OD1-N 3.22Å; D625-R630 PolarHBondContact N-O 3.22Å; D625-R630 PolarHBondContact OD1-N 3.49Å |
| 626 | F | 89.1 | Confident | 90.1 | Very high | 106 Ų | 106 | 45.5 Ų | 45.5 | 47% | 0.465 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -80.3 | -27.8 | 180 | -62.4 | -33.7 | 0 | 0 | 0 | 112.7 | Q594 G595 K629 | Q594-F626 WeakPolarHBondContact O-CB 3.49Å; Q594-F626 PolarHBondContact O-N 3.01Å; G595-F626 VanDerWaalsContact N-CD2 3.32Å; F626-K629 PolarHBondContact O-NZ 2.88Å |
| 627 | V | 88.4 | Confident | 90.4 | Very high | 104 Ų | 104 | 41.2 Ų | 41.2 | 63% | 0.63 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -84 | -60.5 | -170.4 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 628 | L | 88.4 | Confident | 90.7 | Very high | 69 Ų | 69 | 37.3 Ų | 37.3 | 36% | 0.361 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -102.1 | -3.2 | -173.3 | -62.3 | 176.3 | 0 | 0 | 0 | 113.1 | D625 R630 G663 | D625-L628 VanDerWaalsContact OD1-C 3.32Å; D625-L628 PolarHBondContact OD1-N 2.99Å; D625-L628 PolarHBondContact OD2-N 3.01Å; L628-R630 HydrophobicContact CB-CB 4.31Å; L628-R630 HydrophobicContact CB-CG 3.7Å; L628-R630 PolarHBondContact O-N 3.36Å; L628-G663 PolarHBondContact O-N 3.03Å |
| 629 | K | 91.4 | Very high | 91.1 | Very high | 94 Ų | 94 | 37.1 Ų | 37.1 | 41% | 0.409 | 19% | 0.192 | S | C | . | . | trans | 53.1 | 36 | -168.2 | -53 | -65 | 174.5 | -168.1 | 0 | 112.4 | K624 D625 F626 | K624-K629 HydrophobicContact CD-CB 4.2Å; K624-K629 WeakPolarHBondContact CD-O 3.26Å; D625-K629 WeakPolarHBondContact OD1-CA 3.27Å; D625-K629 PolarHBondContact OD1-N 3.22Å; F626-K629 PolarHBondContact O-NZ 2.88Å | ||
| 630 | R | 91.6 | Very high | 91.3 | Very high | 50 Ų | 50 | 37.7 Ų | 37.7 | 19% | 0.189 | 20% | 0.199 | C | C | . | . | trans | -89.9 | 146.4 | -179 | -77.7 | -178.3 | -179.5 | -173.8 | 0.6 | 111.9 | K624 D625 L628 H634 D662 | K624-R630 CarbonylContact C-O 3.45Å; K624-R630 VanDerWaalsContact CA-O 3.28Å; K624-R630 WeakPolarHBondContact CA-O 3.24Å; D625-R630 PolarHBondContact N-O 3.22Å; D625-R630 PolarHBondContact OD1-N 3.49Å; L628-R630 HydrophobicContact CB-CB 4.31Å; L628-R630 HydrophobicContact CB-CG 3.7Å; L628-R630 PolarHBondContact O-N 3.36Å; R630-H634 HydrophobicContact CB-CB 3.91Å; R630-H634 HydrophobicContact CG-CB 3.9Å; R630-D662 HydrophobicContact CG-CB 3.79Å; R630-D662 IonicContact NE-OD2 2.59Å; R630-D662 PolarHBondContact NE-OD2 2.94Å; R630-D662 IonicContact NH2-OD2 3.15Å | ||
| 631 | T | 91.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -99.8 | 166.6 | 173.3 | 65.6 | 0 | 0 | 0 | 0 | 110.9 | K624 I633 H634 A635 I660 | K624-T631 HydrophobicContact CG-CG2 3.8Å; T631-I633 PolarHBondContact O-N 2.83Å; T631-I633 VanDerWaalsContact O-N 3.07Å; T631-H634 PolarHBondContact N-ND1 3.32Å; T631-H634 WeakPolarHBondContact O-CA 3.3Å; T631-H634 WeakPolarHBondContact O-CB 3.49Å; T631-H634 PolarHBondContact O-N 2.83Å; T631-H634 PolarHBondContact OG1-ND1 3.49Å; T631-A635 PolarHBondContact O-N 2.96Å; T631-A635 VanDerWaalsContact O-N 3.17Å; T631-I660 HydrophobicContact CG2-CG2 4.04Å | ||
| 632 | P | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -52.3 | -31.8 | 174.5 | -27.8 | 33.8 | 0 | 0 | 0 | 114 | L599 D600 A603 A635 A636 L648 | L599-P632 HydrophobicContact CB-CG 4.4Å; L599-P632 HydrophobicContact CD2-CG 4.18Å; L599-P632 HydrophobicContact CG-CB 4.14Å; L599-P632 HydrophobicContact CG-CG 4Å; D600-P632 HydrophobicContact CB-CG 4.03Å; A603-P632 HydrophobicContact CB-CB 3.98Å; P632-A635 WeakPolarHBondContact O-CB 2.79Å; P632-A635 PolarHBondContact O-N 2.76Å; P632-A636 PolarHBondContact O-N 2.95Å; P632-L648 HydrophobicContact CB-CD1 4.25Å; P632-L648 HydrophobicContact CB-CD2 4.17Å |
| 633 | I | 92.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 175.3 | -55.6 | 178.4 | 0 | 0 | 0 | 110.9 | T631 A635 A637 L645 L648 I660 P668 | T631-I633 PolarHBondContact O-N 2.83Å; T631-I633 VanDerWaalsContact O-N 3.07Å; I633-A635 VanDerWaalsContact C-N 3.33Å; I633-A637 VanDerWaalsContact O-CB 3.25Å; I633-A637 WeakPolarHBondContact O-CB 3.1Å; I633-A637 PolarHBondContact O-N 2.98Å; I633-L645 HydrophobicContact CG2-CD1 3.6Å; I633-L648 HydrophobicContact CG1-CB 4.17Å; I633-I660 HydrophobicContact CD1-CD1 4.47Å; I633-P668 HydrophobicContact CB-CG 4.45Å; I633-P668 HydrophobicContact CG2-CB 3.95Å; I633-P668 HydrophobicContact CG2-CG 3.67Å |
| 634 | H | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -40.1 | 175.1 | -65.6 | 80.1 | 0 | 0 | 0 | 110.9 | R630 T631 A637 T638 I660 Q666 L671 | R630-H634 HydrophobicContact CB-CB 3.91Å; R630-H634 HydrophobicContact CG-CB 3.9Å; T631-H634 PolarHBondContact N-ND1 3.32Å; T631-H634 WeakPolarHBondContact O-CA 3.3Å; T631-H634 WeakPolarHBondContact O-CB 3.49Å; T631-H634 PolarHBondContact O-N 2.83Å; T631-H634 PolarHBondContact OG1-ND1 3.49Å; H634-A637 PolarHBondContact O-N 2.84Å; H634-T638 VanDerWaalsContact O-CB 3.26Å; H634-T638 WeakPolarHBondContact O-CB 3.43Å; H634-T638 PolarHBondContact O-N 3.34Å; H634-T638 PolarHBondContact O-OG1 3.25Å; H634-I660 PolarHBondContact CE1-O 3.39Å; H634-I660 VanDerWaalsContact CE1-O 3.25Å; H634-I660 PolarHBondContact NE2-O 3.27Å; H634-Q666 PolarHBondContact NE2-O 3.15Å; H634-L671 HydrophobicContact CB-CD1 4.07Å |
| 635 | A | 93.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D600 F604 T631 P632 I633 T638 N639 | D600-A635 WeakPolarHBondContact OD1-CB 3.16Å; F604-A635 HydrophobicContact CB-CB 4.04Å; F604-A635 HydrophobicContact CD2-CB 4.35Å; T631-A635 PolarHBondContact O-N 2.96Å; T631-A635 VanDerWaalsContact O-N 3.17Å; P632-A635 WeakPolarHBondContact O-CB 2.79Å; P632-A635 PolarHBondContact O-N 2.76Å; I633-A635 VanDerWaalsContact C-N 3.33Å; A635-T638 PolarHBondContact O-N 3.3Å; A635-N639 PolarHBondContact O-N 2.98Å; A635-N639 PolarHBondContact O-ND2 3.23Å |
| 636 | A | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A603 P632 G640 H641 C644 L645 L648 | A603-A636 HydrophobicContact CB-CB 4.3Å; P632-A636 PolarHBondContact O-N 2.95Å; A636-G640 PolarHBondContact O-N 3.42Å; A636-H641 HydrophobicContact CB-CB 4.48Å; A636-H641 PolarHBondContact O-N 2.89Å; A636-C644 HydrophobicContact CB-CB 4.29Å; A636-L645 HydrophobicContact CB-CB 4.13Å; A636-L645 HydrophobicContact CB-CD1 4.29Å; A636-L648 HydrophobicContact CB-CD1 4.02Å |
| 637 | A | 94.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.7 | -35.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I633 H634 L645 P668 S672 L684 | I633-A637 VanDerWaalsContact O-CB 3.25Å; I633-A637 WeakPolarHBondContact O-CB 3.1Å; I633-A637 PolarHBondContact O-N 2.98Å; H634-A637 PolarHBondContact O-N 2.84Å; A637-L645 HydrophobicContact CB-CD1 4.35Å; A637-L645 HydrophobicContact CB-CD2 4.29Å; A637-P668 HydrophobicContact CB-CB 3.89Å; A637-S672 WeakPolarHBondContact O-CA 3.23Å; A637-L684 HydrophobicContact CB-CD1 4.44Å |
| 638 | T | 94.3 | Very high | 92.7 | Very high | 31 Ų | 31 | 31.8 Ų | 31.8 | 19% | 0.19 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.5 | -34.5 | 178.6 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | H634 A635 L671 S675 H677 | H634-T638 VanDerWaalsContact O-CB 3.26Å; H634-T638 WeakPolarHBondContact O-CB 3.43Å; H634-T638 PolarHBondContact O-N 3.34Å; H634-T638 PolarHBondContact O-OG1 3.25Å; A635-T638 PolarHBondContact O-N 3.3Å; T638-L671 WeakPolarHBondContact OG1-CD1 3.27Å; T638-S675 WeakPolarHBondContact O-CB 3.47Å; T638-S675 PolarHBondContact O-OG 2.89Å; T638-H677 PolarHBondContact O-NE2 3.03Å |
| 639 | N | 94.5 | Very high | 92.7 | Very high | 56 Ų | 56 | 29 Ų | 29 | 30% | 0.299 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -99.2 | 1.1 | -178.2 | -64.8 | -76.3 | 0 | 0 | 0 | 113.7 | F604 A635 H677 | F604-N639 WeakPolarHBondContact CD2-ND2 3.39Å; F604-N639 WeakPolarHBondContact CE2-ND2 3.4Å; F604-N639 PolarHBondContact O-ND2 3.42Å; A635-N639 PolarHBondContact O-N 2.98Å; A635-N639 PolarHBondContact O-ND2 3.23Å; N639-H677 VanDerWaalsContact C-NE2 3.34Å |
| 640 | G | 94.1 | Very high | 92.2 | Very high | 22 Ų | 22 | 26.6 Ų | 26.6 | 23% | 0.227 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 22.4 | 173 | 0 | 0 | 0 | 0 | 0 | 115 | A636 S642 H677 C680 | A636-G640 PolarHBondContact O-N 3.42Å; G640-S642 VanDerWaalsContact C-N 3.32Å; G640-S642 PolarHBondContact O-N 3.37Å; G640-H677 WeakPolarHBondContact CA-CD2 3.47Å; G640-H677 PolarHBondContact N-CD2 2.88Å; G640-H677 PolarHBondContact N-NE2 3.31Å; G640-C680 VanDerWaalsContact C-SG 3.56Å |
| 641 | H | 96.2 | Very high | 91.2 | Very high | 54 Ų | 54 | 29 Ų | 29 | 25% | 0.25 | 16% | 0.156 | C | C | . | . | trans | -83.8 | 76.5 | 179.8 | -59.8 | -49.9 | 0 | 0 | 0 | 110.7 | A603 F604 K605 G606 A636 E643 C644 L645 | A603-H641 PolarHBondContact O-CD2 2.91Å; A603-H641 VanDerWaalsContact O-CD2 3.24Å; F604-H641 PolarHBondContact O-NE2 2.89Å; K605-H641 VanDerWaalsContact C-NE2 3.32Å; G606-H641 WeakPolarHBondContact CA-CD2 3.5Å; G606-H641 PolarHBondContact N-CD2 2.91Å; G606-H641 VanDerWaalsContact N-CD2 3.32Å; G606-H641 PolarHBondContact N-NE2 3.3Å; A636-H641 HydrophobicContact CB-CB 4.48Å; A636-H641 PolarHBondContact O-N 2.89Å; H641-E643 VanDerWaalsContact C-N 3.33Å; H641-E643 PolarHBondContact O-N 3.39Å; H641-C644 HydrophobicContact CB-CB 3.99Å; H641-C644 PolarHBondContact O-N 3.15Å; H641-L645 WeakPolarHBondContact O-CB 3.5Å; H641-L645 PolarHBondContact O-N 3.17Å | ||
| 642 | S | 93.5 | Very high | 89.8 | Confident | 24 Ų | 24 | 29.8 Ų | 29.8 | 17% | 0.168 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.9 | -42.5 | -175.4 | 57.8 | 0 | 0 | 0 | 0 | 113 | G640 L645 R646 | G640-S642 VanDerWaalsContact C-N 3.32Å; G640-S642 PolarHBondContact O-N 3.37Å; S642-L645 WeakPolarHBondContact O-CB 3.32Å; S642-L645 PolarHBondContact O-N 3.2Å; S642-R646 WeakPolarHBondContact O-CG 3.19Å; S642-R646 PolarHBondContact O-N 3.31Å |
| 643 | E | 93.4 | Very high | 88.2 | Confident | 83 Ų | 83 | 37.6 Ų | 37.6 | 39% | 0.388 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.9 | -48.7 | 177.7 | -65.2 | -55 | 142.1 | 0 | 0 | 113.2 | V608 H641 L645 R646 L647 | V608-E643 HydrophobicContact CG1-CB 4.32Å; V608-E643 HydrophobicContact CG2-CB 3.65Å; H641-E643 VanDerWaalsContact C-N 3.33Å; H641-E643 PolarHBondContact O-N 3.39Å; E643-L645 VanDerWaalsContact C-N 3.25Å; E643-L645 PolarHBondContact O-N 2.94Å; E643-R646 PolarHBondContact O-N 3.3Å; E643-R646 IonicContact OE1-CZ 3.11Å; E643-R646 IonicContact OE1-NE 2.7Å; E643-R646 IonicContact OE1-NH1 3.09Å; E643-R646 IonicContact OE1-NH2 3.36Å; E643-R646 PolarHBondContact OE1-NH2 3.28Å; E643-R646 IonicContact OE2-CZ 2.83Å; E643-R646 VanDerWaalsContact OE2-CZ 3.29Å; E643-R646 IonicContact OE2-NE 3.65Å; E643-R646 PolarHBondContact OE2-NE 3.03Å; E643-R646 IonicContact OE2-NH2 3.82Å; E643-R646 PolarHBondContact OE2-NH2 3.25Å; E643-L647 PolarHBondContact O-N 2.98Å |
| 644 | C | 93.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.7 | -42 | 174.4 | -70.5 | 0 | 0 | 0 | 0 | 110.8 | V611 A636 H641 L647 L648 | V611-C644 HydrophobicContact CG2-CB 4.4Å; A636-C644 HydrophobicContact CB-CB 4.29Å; H641-C644 HydrophobicContact CB-CB 3.99Å; H641-C644 PolarHBondContact O-N 3.15Å; C644-L647 PolarHBondContact O-N 3.47Å; C644-L648 WeakPolarHBondContact O-CB 3.37Å; C644-L648 WeakPolarHBondContact O-CD1 3.45Å; C644-L648 WeakPolarHBondContact O-CG 3.45Å; C644-L648 PolarHBondContact O-N 2.91Å |
| 645 | L | 92.7 | Very high | 85 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 177.9 | -173.8 | 63 | 0 | 0 | 0 | 111.8 | I633 A636 A637 H641 S642 E643 L648 I649 C680 L684 | I633-L645 HydrophobicContact CG2-CD1 3.6Å; A636-L645 HydrophobicContact CB-CB 4.13Å; A636-L645 HydrophobicContact CB-CD1 4.29Å; A637-L645 HydrophobicContact CB-CD1 4.35Å; A637-L645 HydrophobicContact CB-CD2 4.29Å; H641-L645 WeakPolarHBondContact O-CB 3.5Å; H641-L645 PolarHBondContact O-N 3.17Å; S642-L645 WeakPolarHBondContact O-CB 3.32Å; S642-L645 PolarHBondContact O-N 3.2Å; E643-L645 VanDerWaalsContact C-N 3.25Å; E643-L645 PolarHBondContact O-N 2.94Å; L645-L648 PolarHBondContact O-N 2.72Å; L645-I649 HydrophobicContact CD1-CD1 3.67Å; L645-I649 HydrophobicContact CD1-CG1 4.19Å; L645-I649 HydrophobicContact CD2-CD1 4.46Å; L645-I649 HydrophobicContact CG-CD1 3.65Å; L645-I649 HydrophobicContact CG-CG1 4.48Å; L645-I649 WeakPolarHBondContact O-CB 3.22Å; L645-I649 WeakPolarHBondContact O-CD1 3.33Å; L645-I649 VanDerWaalsContact O-CG1 3.23Å; L645-I649 WeakPolarHBondContact O-CG1 3.47Å; L645-I649 PolarHBondContact O-N 3.38Å; L645-C680 HydrophobicContact CD2-CB 3.68Å; L645-L684 HydrophobicContact CD1-CD2 4.42Å; L645-L684 HydrophobicContact CD2-CD1 4.05Å; L645-L684 HydrophobicContact CD2-CD2 4.34Å; L645-L684 HydrophobicContact CD2-CG 3.95Å |
| 646 | R | 91.1 | Very high | 83.6 | Confident | 133 Ų | 133 | 53.2 Ų | 53.2 | 50% | 0.502 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 175.8 | -73.1 | -166.5 | -51.6 | -176.4 | 8.4 | 112.2 | S642 E643 G650 | S642-R646 WeakPolarHBondContact O-CG 3.19Å; S642-R646 PolarHBondContact O-N 3.31Å; E643-R646 PolarHBondContact O-N 3.3Å; E643-R646 IonicContact OE1-CZ 3.11Å; E643-R646 IonicContact OE1-NE 2.7Å; E643-R646 IonicContact OE1-NH1 3.09Å; E643-R646 IonicContact OE1-NH2 3.36Å; E643-R646 PolarHBondContact OE1-NH2 3.28Å; E643-R646 IonicContact OE2-CZ 2.83Å; E643-R646 VanDerWaalsContact OE2-CZ 3.29Å; E643-R646 IonicContact OE2-NE 3.65Å; E643-R646 PolarHBondContact OE2-NE 3.03Å; E643-R646 IonicContact OE2-NH2 3.82Å; E643-R646 PolarHBondContact OE2-NH2 3.25Å; R646-G650 WeakPolarHBondContact O-CA 3.35Å; R646-G650 PolarHBondContact O-N 3.19Å |
| 647 | L | 90.4 | Very high | 82.5 | Confident | 43 Ų | 43 | 54.3 Ų | 54.3 | 23% | 0.225 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.8 | -47.7 | 175.5 | -68.7 | 178.3 | 0 | 0 | 0 | 111.6 | V608 V611 D612 I615 E643 C644 I649 G650 H651 | V608-L647 HydrophobicContact CG1-CD1 3.51Å; V611-L647 HydrophobicContact CG1-CB 4.37Å; D612-L647 HydrophobicContact CB-CD1 4.03Å; I615-L647 HydrophobicContact CD1-CB 4.35Å; E643-L647 PolarHBondContact O-N 2.98Å; C644-L647 PolarHBondContact O-N 3.47Å; L647-I649 VanDerWaalsContact C-N 3.35Å; L647-I649 PolarHBondContact O-N 3.34Å; L647-G650 PolarHBondContact O-N 2.91Å; L647-H651 PolarHBondContact O-N 2.92Å |
| 648 | L | 89.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 179.7 | -72.2 | 164.9 | 0 | 0 | 0 | 112.6 | L599 A603 V611 I615 V621 P632 I633 A636 C644 L645 | L599-L648 HydrophobicContact CD1-CD2 4.13Å; L599-L648 HydrophobicContact CD2-CD2 4.18Å; L599-L648 HydrophobicContact CG-CD2 4.27Å; A603-L648 HydrophobicContact CB-CD1 3.94Å; V611-L648 HydrophobicContact CG1-CD2 4.16Å; V611-L648 HydrophobicContact CG1-CG 4.04Å; I615-L648 HydrophobicContact CD1-CD2 3.76Å; I615-L648 HydrophobicContact CD1-CG 4.21Å; I615-L648 HydrophobicContact CG1-CD2 4.38Å; V621-L648 HydrophobicContact CG1-CD2 3.75Å; P632-L648 HydrophobicContact CB-CD1 4.25Å; P632-L648 HydrophobicContact CB-CD2 4.17Å; I633-L648 HydrophobicContact CG1-CB 4.17Å; A636-L648 HydrophobicContact CB-CD1 4.02Å; C644-L648 WeakPolarHBondContact O-CB 3.37Å; C644-L648 WeakPolarHBondContact O-CD1 3.45Å; C644-L648 WeakPolarHBondContact O-CG 3.45Å; C644-L648 PolarHBondContact O-N 2.91Å; L645-L648 PolarHBondContact O-N 2.72Å |
| 649 | I | 87 | Confident | 81.5 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 6% | 0.056 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -79.6 | -28.8 | 177.7 | -60.4 | 165.4 | 0 | 0 | 0 | 111.2 | L645 L647 A652 V658 L684 K687 | L645-I649 HydrophobicContact CD1-CD1 3.67Å; L645-I649 HydrophobicContact CD1-CG1 4.19Å; L645-I649 HydrophobicContact CD2-CD1 4.46Å; L645-I649 HydrophobicContact CG-CD1 3.65Å; L645-I649 HydrophobicContact CG-CG1 4.48Å; L645-I649 WeakPolarHBondContact O-CB 3.22Å; L645-I649 WeakPolarHBondContact O-CD1 3.33Å; L645-I649 VanDerWaalsContact O-CG1 3.23Å; L645-I649 WeakPolarHBondContact O-CG1 3.47Å; L645-I649 PolarHBondContact O-N 3.38Å; L647-I649 VanDerWaalsContact C-N 3.35Å; L647-I649 PolarHBondContact O-N 3.34Å; I649-A652 PolarHBondContact O-N 3.26Å; I649-V658 HydrophobicContact CG2-CG2 4.01Å; I649-L684 HydrophobicContact CD1-CD2 3.52Å; I649-L684 HydrophobicContact CD1-CG 4.35Å; I649-K687 HydrophobicContact CG2-CB 3.93Å; I649-K687 HydrophobicContact CG2-CD 4.06Å; I649-K687 HydrophobicContact CG2-CG 3.75Å |
| 650 | G | 81.2 | Confident | 81.2 | Confident | 44 Ų | 44 | 54 Ų | 54 | 45% | 0.454 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.8 | -34 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R646 L647 | R646-G650 WeakPolarHBondContact O-CA 3.35Å; R646-G650 PolarHBondContact O-N 3.19Å; L647-G650 PolarHBondContact O-N 2.91Å |
| 651 | H | 72 | Confident | 81.1 | Confident | 99 Ų | 99 | 57 Ų | 57 | 46% | 0.458 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -0.3 | 176.6 | -78.8 | -99.5 | 0 | 0 | 0 | 113.9 | I615 L647 D653 | I615-H651 HydrophobicContact CG2-CB 3.61Å; I615-H651 VanDerWaalsContact CG2-CG 3.42Å; L647-H651 PolarHBondContact O-N 2.92Å; H651-D653 PolarHBondContact O-N 3.04Å |
| 652 | A | 61.5 | Low | 80.9 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | trans | -88.9 | 100.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I649 L654 M657 | I649-A652 PolarHBondContact O-N 3.26Å; A652-L654 PolarHBondContact O-N 3.12Å; A652-M657 HydrophobicContact CB-CB 4.16Å; A652-M657 HydrophobicContact CB-CG 4.29Å; A652-M657 HydrophobicContact CB-SD 3.55Å; A652-M657 VanDerWaalsContact CB-SD 3.55Å | ||
| 653 | D | 58.5 | Low | 80.7 | Confident | 163 Ų | 163 | 54.9 Ų | 54.9 | 87% | 0.872 | 29% | 0.293 | S | S | * | . | trans | -66.6 | 1.7 | 179.6 | -74.9 | -30.6 | 0 | 0 | 0 | 114.9 | H651 | H651-D653 PolarHBondContact O-N 3.04Š| ||
| 654 | L | 59 | Low | 80.5 | Confident | 99 Ų | 99 | 53.9 Ų | 53.9 | 52% | 0.518 | 29% | 0.291 | S | S | . | . | trans | -122.5 | 120.2 | -175.5 | -79.7 | 128.9 | 0 | 0 | 0 | 111.9 | A652 S656 M657 | A652-L654 PolarHBondContact O-N 3.12Å; L654-S656 PolarHBondContact O-N 3.17Å; L654-M657 HydrophobicContact CB-CE 4.14Å; L654-M657 HydrophobicContact CB-CG 4.04Å; L654-M657 HydrophobicContact CD1-CE 3.79Å; L654-M657 WeakPolarHBondContact O-CB 3.41Å; L654-M657 PolarHBondContact O-N 3.43Å | ||
| 655 | Q | 61 | Low | 80.4 | Confident | 157 Ų | 157 | 54 Ų | 54 | 73% | 0.734 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -54.5 | -22 | 169.7 | -164.8 | 167.1 | 4 | 0 | 0 | 112.8 | M657 | Q655-M657 PolarHBondContact O-N 3.48Š|
| 656 | S | 62.6 | Low | 80.4 | Confident | 80 Ų | 80 | 54.7 Ų | 54.7 | 56% | 0.559 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -71.5 | -10.9 | 175.1 | 67.7 | 0 | 0 | 0 | 0 | 114.7 | L654 | L654-S656 PolarHBondContact O-N 3.17Š|
| 657 | M | 71.3 | Confident | 80.6 | Confident | 24 Ų | 24 | 48.4 Ų | 48.4 | 12% | 0.118 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -83 | -25.3 | -177.8 | -63.4 | -159.3 | -169.4 | 0 | 0 | 113.8 | V621 L622 A652 L654 Q655 D659 I660 | V621-M657 HydrophobicContact CG2-SD 3.91Å; L622-M657 HydrophobicContact CD1-CE 4.04Å; L622-M657 HydrophobicContact CD2-CE 4.07Å; L622-M657 HydrophobicContact CD2-CG 4.18Å; L622-M657 HydrophobicContact CD2-SD 3.77Å; L622-M657 HydrophobicContact CG-CE 4.26Å; L622-M657 HydrophobicContact CG-SD 4.39Å; A652-M657 HydrophobicContact CB-CB 4.16Å; A652-M657 HydrophobicContact CB-CG 4.29Å; A652-M657 HydrophobicContact CB-SD 3.55Å; A652-M657 VanDerWaalsContact CB-SD 3.55Å; L654-M657 HydrophobicContact CB-CE 4.14Å; L654-M657 HydrophobicContact CB-CG 4.04Å; L654-M657 HydrophobicContact CD1-CE 3.79Å; L654-M657 WeakPolarHBondContact O-CB 3.41Å; L654-M657 PolarHBondContact O-N 3.43Å; Q655-M657 PolarHBondContact O-N 3.48Å; M657-D659 VanDerWaalsContact C-N 3.27Å; M657-D659 PolarHBondContact O-N 3.18Å; M657-I660 HydrophobicContact CB-CD1 4Å; M657-I660 HydrophobicContact CG-CD1 4.37Å; M657-I660 WeakPolarHBondContact O-CD1 3.3Å; M657-I660 WeakPolarHBondContact O-CG1 3.45Å; M657-I660 PolarHBondContact O-N 3.01Å |
| 658 | V | 81.1 | Confident | 80.7 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -28.8 | -178.3 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | I649 P668 L684 K687 A689 | I649-V658 HydrophobicContact CG2-CG2 4.01Å; V658-P668 WeakPolarHBondContact O-CD 3.41Å; V658-L684 HydrophobicContact CG1-CD2 3.82Å; V658-K687 HydrophobicContact CG2-CB 4.47Å; V658-A689 HydrophobicContact CG1-CB 3.48Å; V658-A689 VanDerWaalsContact CG1-CB 3.48Å |
| 659 | D | 86.9 | Confident | 81 | Confident | 49 Ų | 49 | 46.3 Ų | 46.3 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 23.5 | -179.5 | -66.3 | -35.8 | 0 | 0 | 0 | 113.3 | M657 Q661 T667 S690 | M657-D659 VanDerWaalsContact C-N 3.27Å; M657-D659 PolarHBondContact O-N 3.18Å; D659-Q661 PolarHBondContact O-N 3.09Å; D659-T667 HydrophobicContact CB-CG2 4.47Å; D659-S690 PolarHBondContact OD1-N 3.48Å; D659-S690 VanDerWaalsContact OD2-CB 3.24Å; D659-S690 WeakPolarHBondContact OD2-CB 3.49Å; D659-S690 PolarHBondContact OD2-N 2.99Å |
| 660 | I | 89.4 | Confident | 81.3 | Confident | 23 Ų | 23 | 45.9 Ų | 45.9 | 12% | 0.118 | 26% | 0.259 | C | S | . | . | trans | -58.5 | 135.1 | 175 | -65.3 | 163.2 | 0 | 0 | 0 | 108.9 | L622 T631 I633 H634 M657 P668 | L622-I660 HydrophobicContact CD2-CD1 3.67Å; T631-I660 HydrophobicContact CG2-CG2 4.04Å; I633-I660 HydrophobicContact CD1-CD1 4.47Å; H634-I660 PolarHBondContact CE1-O 3.39Å; H634-I660 VanDerWaalsContact CE1-O 3.25Å; H634-I660 PolarHBondContact NE2-O 3.27Å; M657-I660 HydrophobicContact CB-CD1 4Å; M657-I660 HydrophobicContact CG-CD1 4.37Å; M657-I660 WeakPolarHBondContact O-CD1 3.3Å; M657-I660 WeakPolarHBondContact O-CG1 3.45Å; M657-I660 PolarHBondContact O-N 3.01Å; I660-P668 VanDerWaalsContact O-CD 3.28Å; I660-P668 WeakPolarHBondContact O-CD 3.32Å | ||
| 661 | Q | 90.8 | Very high | 82 | Confident | 86 Ų | 86 | 43.9 Ų | 43.9 | 40% | 0.402 | 24% | 0.238 | S | C | . | . | trans | -99.3 | 138.9 | 177.9 | -68.2 | -176.1 | -14.9 | 0 | 0 | 112.3 | K624 D659 Q666 T667 | K624-Q661 PolarHBondContact NZ-O 3.16Å; D659-Q661 PolarHBondContact O-N 3.09Å; Q661-Q666 WeakPolarHBondContact CA-O 3.23Å; Q661-T667 HydrophobicContact CG-CG2 4.22Å | ||
| 662 | D | 91.9 | Very high | 83.1 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | trans | -76.8 | -175.2 | 168.2 | 82.8 | -5.1 | 0 | 0 | 0 | 112.3 | R630 N664 G665 Q666 | R630-D662 HydrophobicContact CG-CB 3.79Å; R630-D662 IonicContact NE-OD2 2.59Å; R630-D662 PolarHBondContact NE-OD2 2.94Å; R630-D662 IonicContact NH2-OD2 3.15Å; D662-N664 PolarHBondContact O-N 3.35Å; D662-N664 VanDerWaalsContact O-N 3.08Å; D662-N664 WeakPolarHBondContact OD1-CA 3.4Å; D662-N664 WeakPolarHBondContact OD1-CB 3.34Å; D662-N664 PolarHBondContact OD1-N 3.35Å; D662-G665 PolarHBondContact O-N 2.97Å; D662-G665 PolarHBondContact OD1-N 3.48Å; D662-Q666 PolarHBondContact N-O 3.46Å; D662-Q666 WeakPolarHBondContact OD1-CB 3.32Å; D662-Q666 PolarHBondContact OD1-N 3.24Å; D662-Q666 PolarHBondContact OD2-OE1 3.42Å; D662-Q666 VanDerWaalsContact OD2-OE1 3.11Å | ||
| 663 | G | 90 | Very high | 84.7 | Confident | 25 Ų | 25 | 38.3 Ų | 38.3 | 26% | 0.258 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L628 K696 | L628-G663 PolarHBondContact O-N 3.03Å; G663-K696 WeakPolarHBondContact O-CE 3.16Å; G663-K696 PolarHBondContact O-NZ 2.96Å |
| 664 | N | 89.3 | Confident | 86.4 | Confident | 61 Ų | 61 | 33.5 Ų | 33.5 | 33% | 0.326 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 4 | 177.6 | -69.1 | -33.5 | 0 | 0 | 0 | 113.1 | D662 Q666 K696 W697 | D662-N664 PolarHBondContact O-N 3.35Å; D662-N664 VanDerWaalsContact O-N 3.08Å; D662-N664 WeakPolarHBondContact OD1-CA 3.4Å; D662-N664 WeakPolarHBondContact OD1-CB 3.34Å; D662-N664 PolarHBondContact OD1-N 3.35Å; N664-Q666 VanDerWaalsContact C-N 3.31Å; N664-Q666 HydrophobicContact CB-CG 3.91Å; N664-K696 WeakPolarHBondContact O-CG 3.5Å; N664-K696 PolarHBondContact O-N 2.99Å; N664-W697 HydrophobicContact CB-CH2 4.25Å; N664-W697 HydrophobicContact CB-CZ3 4.03Å |
| 665 | G | 91.1 | Very high | 88 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 79.2 | 11.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D662 D695 | D662-G665 PolarHBondContact O-N 2.97Å; D662-G665 PolarHBondContact OD1-N 3.48Å; G665-D695 WeakPolarHBondContact O-CA 3.26Å |
| 666 | Q | 93.4 | Very high | 89.6 | Confident | 13 Ų | 13 | 24.4 Ų | 24.4 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | trans | -83.2 | 134.9 | -176.8 | -52.7 | 178 | -74.2 | 0 | 0 | 110.1 | H634 Q661 D662 N664 M670 L671 | H634-Q666 PolarHBondContact NE2-O 3.15Å; Q661-Q666 WeakPolarHBondContact CA-O 3.23Å; D662-Q666 PolarHBondContact N-O 3.46Å; D662-Q666 WeakPolarHBondContact OD1-CB 3.32Å; D662-Q666 PolarHBondContact OD1-N 3.24Å; D662-Q666 PolarHBondContact OD2-OE1 3.42Å; D662-Q666 VanDerWaalsContact OD2-OE1 3.11Å; N664-Q666 VanDerWaalsContact C-N 3.31Å; N664-Q666 HydrophobicContact CB-CG 3.91Å; Q666-M670 HydrophobicContact CB-CB 4.49Å; Q666-M670 HydrophobicContact CB-SD 4.36Å; Q666-L671 HydrophobicContact CB-CD2 4.22Å; Q666-L671 HydrophobicContact CB-CG 4.36Å | ||
| 667 | T | 93.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | trans | -87.3 | 161.7 | 171.7 | 63.6 | 0 | 0 | 0 | 0 | 111.1 | D659 Q661 L669 M670 L671 A693 | D659-T667 HydrophobicContact CB-CG2 4.47Å; Q661-T667 HydrophobicContact CG-CG2 4.22Å; T667-L669 PolarHBondContact O-N 3.26Å; T667-M670 WeakPolarHBondContact O-CB 3.46Å; T667-M670 PolarHBondContact O-N 3.48Å; T667-M670 WeakPolarHBondContact OG1-CG 3.22Å; T667-M670 PolarHBondContact OG1-N 3.2Å; T667-L671 PolarHBondContact O-N 2.97Å; T667-A693 HydrophobicContact CG2-CB 3.76Å | ||
| 668 | P | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -53.5 | -38.5 | 172.4 | -28.1 | 35 | 0 | 0 | 0 | 112.8 | I633 A637 V658 I660 M670 L671 S672 L684 | I633-P668 HydrophobicContact CB-CG 4.45Å; I633-P668 HydrophobicContact CG2-CB 3.95Å; I633-P668 HydrophobicContact CG2-CG 3.67Å; A637-P668 HydrophobicContact CB-CB 3.89Å; V658-P668 WeakPolarHBondContact O-CD 3.41Å; I660-P668 VanDerWaalsContact O-CD 3.28Å; I660-P668 WeakPolarHBondContact O-CD 3.32Å; P668-M670 VanDerWaalsContact C-N 3.33Å; P668-M670 PolarHBondContact O-N 3Å; P668-L671 PolarHBondContact O-N 3.43Å; P668-L671 VanDerWaalsContact O-N 3.17Å; P668-S672 PolarHBondContact O-N 3Å; P668-S672 PolarHBondContact O-OG 3.33Å; P668-L684 HydrophobicContact CB-CD1 4.21Å; P668-L684 HydrophobicContact CB-CD2 4.15Å |
| 669 | L | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 175.9 | -179.6 | 65.2 | 0 | 0 | 0 | 112 | T667 L671 S672 V673 V681 L684 L685 A689 V691 A701 L717 | T667-L669 PolarHBondContact O-N 3.26Å; L669-L671 VanDerWaalsContact C-N 3.3Å; L669-L671 PolarHBondContact O-N 2.99Å; L669-S672 WeakPolarHBondContact CA-OG 3.47Å; L669-S672 PolarHBondContact O-OG 3.42Å; L669-V673 HydrophobicContact CD1-CG2 4.37Å; L669-V673 VanDerWaalsContact O-CG2 3.25Å; L669-V673 WeakPolarHBondContact O-CG2 3.14Å; L669-V673 PolarHBondContact O-N 3.46Å; L669-V673 VanDerWaalsContact O-N 3.1Å; L669-V681 HydrophobicContact CD1-CB 4.48Å; L669-V681 HydrophobicContact CD1-CG1 4.01Å; L669-V681 HydrophobicContact CD1-CG2 4.48Å; L669-L684 HydrophobicContact CB-CD1 4.28Å; L669-L684 HydrophobicContact CD1-CB 4.23Å; L669-L684 HydrophobicContact CD1-CD1 4.44Å; L669-L685 HydrophobicContact CD1-CD2 4.13Å; L669-L685 HydrophobicContact CD1-CG 4.17Å; L669-L685 HydrophobicContact CD2-CD2 3.91Å; L669-A689 HydrophobicContact CB-CB 4.35Å; L669-A689 HydrophobicContact CD2-CB 4.02Å; L669-V691 HydrophobicContact CD2-CG1 4.37Å; L669-A701 HydrophobicContact CD2-CB 4.29Å; L669-A701 HydrophobicContact CG-CB 4.12Å; L669-L717 HydrophobicContact CD1-CD2 4.35Å; L669-L717 HydrophobicContact CD2-CD2 4.15Å; L669-L717 HydrophobicContact CG-CD2 4.46Å |
| 670 | M | 95.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.7 | -36.3 | 176.3 | -72.5 | -179.1 | -167.4 | 0 | 0 | 112.6 | Q666 T667 P668 L674 A693 D695 R699 A701 R704 | Q666-M670 HydrophobicContact CB-CB 4.49Å; Q666-M670 HydrophobicContact CB-SD 4.36Å; T667-M670 WeakPolarHBondContact O-CB 3.46Å; T667-M670 PolarHBondContact O-N 3.48Å; T667-M670 WeakPolarHBondContact OG1-CG 3.22Å; T667-M670 PolarHBondContact OG1-N 3.2Å; P668-M670 VanDerWaalsContact C-N 3.33Å; P668-M670 PolarHBondContact O-N 3Å; M670-L674 VanDerWaalsContact O-CB 3.26Å; M670-L674 WeakPolarHBondContact O-CB 3.37Å; M670-L674 PolarHBondContact O-N 3.3Å; M670-A693 HydrophobicContact CE-CB 3.97Å; M670-A693 WeakPolarHBondContact CE-O 3.42Å; M670-D695 HydrophobicContact SD-CB 4.1Å; M670-R699 WeakPolarHBondContact CE-O 3.21Å; M670-A701 HydrophobicContact CG-CB 4.21Å; M670-R704 WeakPolarHBondContact O-CD 3.32Å |
| 671 | L | 94.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -76.9 | -36.3 | -179.3 | -64 | -179.5 | 0 | 0 | 0 | 112.2 | H634 T638 Q666 T667 P668 L669 L674 S675 | H634-L671 HydrophobicContact CB-CD1 4.07Å; T638-L671 WeakPolarHBondContact OG1-CD1 3.27Å; Q666-L671 HydrophobicContact CB-CD2 4.22Å; Q666-L671 HydrophobicContact CB-CG 4.36Å; T667-L671 PolarHBondContact O-N 2.97Å; P668-L671 PolarHBondContact O-N 3.43Å; P668-L671 VanDerWaalsContact O-N 3.17Å; L669-L671 VanDerWaalsContact C-N 3.3Å; L669-L671 PolarHBondContact O-N 2.99Å; L671-L674 HydrophobicContact CD2-CD2 4.47Å; L671-L674 PolarHBondContact O-N 3.16Å; L671-S675 WeakPolarHBondContact O-CB 3.31Å; L671-S675 PolarHBondContact O-N 3.06Å; L671-S675 PolarHBondContact O-OG 2.89Å |
| 672 | S | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.5 | -40.9 | 174.4 | 59.9 | 0 | 0 | 0 | 0 | 111.8 | A637 P668 L669 S675 G676 H677 V681 | A637-S672 WeakPolarHBondContact O-CA 3.23Å; P668-S672 PolarHBondContact O-N 3Å; P668-S672 PolarHBondContact O-OG 3.33Å; L669-S672 WeakPolarHBondContact CA-OG 3.47Å; L669-S672 PolarHBondContact O-OG 3.42Å; S672-S675 PolarHBondContact O-N 3.29Å; S672-G676 PolarHBondContact O-N 2.67Å; S672-H677 PolarHBondContact O-N 2.9Å; S672-V681 WeakPolarHBondContact OG-CG2 3.5Å |
| 673 | V | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.9 | -38.1 | 174.4 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | L669 S675 G676 V681 A701 G705 H710 C713 L717 | L669-V673 HydrophobicContact CD1-CG2 4.37Å; L669-V673 VanDerWaalsContact O-CG2 3.25Å; L669-V673 WeakPolarHBondContact O-CG2 3.14Å; L669-V673 PolarHBondContact O-N 3.46Å; L669-V673 VanDerWaalsContact O-N 3.1Å; V673-S675 PolarHBondContact O-N 3.15Å; V673-G676 PolarHBondContact O-N 2.76Å; V673-V681 HydrophobicContact CG2-CG1 4.34Å; V673-V681 HydrophobicContact CG2-CG2 3.56Å; V673-A701 WeakPolarHBondContact CG1-O 3.47Å; V673-A701 HydrophobicContact CG2-CB 4.27Å; V673-G705 VanDerWaalsContact CG1-CA 3.49Å; V673-H710 PolarHBondContact O-CD2 3.18Å; V673-C713 HydrophobicContact CG1-CB 4.29Å; V673-C713 HydrophobicContact CG2-CB 4.44Å; V673-L717 HydrophobicContact CG1-CD1 4.26Å; V673-L717 HydrophobicContact CG2-CD1 4.04Å; V673-L717 HydrophobicContact CG2-CG 4.46Å |
| 674 | L | 94.1 | Very high | 93.6 | Very high | 63 Ų | 63 | 23.8 Ų | 23.8 | 33% | 0.33 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.2 | -31.9 | 175.5 | -175.4 | 71.4 | 0 | 0 | 0 | 112.2 | M670 L671 R704 T708 | M670-L674 VanDerWaalsContact O-CB 3.26Å; M670-L674 WeakPolarHBondContact O-CB 3.37Å; M670-L674 PolarHBondContact O-N 3.3Å; L671-L674 HydrophobicContact CD2-CD2 4.47Å; L671-L674 PolarHBondContact O-N 3.16Å; L674-R704 HydrophobicContact CD1-CB 4.37Å; L674-T708 HydrophobicContact CD1-CG2 3.75Å; L674-T708 WeakPolarHBondContact O-CG2 3.37Å |
| 675 | S | 92.8 | Very high | 93.7 | Very high | 43 Ų | 43 | 21.3 Ų | 21.3 | 30% | 0.301 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -98 | -3.3 | -176.4 | -44.6 | 0 | 0 | 0 | 0 | 112.9 | T638 L671 S672 V673 H677 | T638-S675 WeakPolarHBondContact O-CB 3.47Å; T638-S675 PolarHBondContact O-OG 2.89Å; L671-S675 WeakPolarHBondContact O-CB 3.31Å; L671-S675 PolarHBondContact O-N 3.06Å; L671-S675 PolarHBondContact O-OG 2.89Å; S672-S675 PolarHBondContact O-N 3.29Å; V673-S675 PolarHBondContact O-N 3.15Å; S675-H677 VanDerWaalsContact CB-CD2 3.47Å; S675-H677 WeakPolarHBondContact CB-CD2 3.39Å; S675-H677 WeakPolarHBondContact CB-NE2 3.4Å |
| 676 | G | 94.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 26.8 Ų | 26.8 | 22% | 0.216 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 29.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S672 V673 T678 H710 | S672-G676 PolarHBondContact O-N 2.67Å; V673-G676 PolarHBondContact O-N 2.76Å; G676-T678 PolarHBondContact O-N 3.47Å; G676-H710 WeakPolarHBondContact CA-CD2 3.43Å; G676-H710 WeakPolarHBondContact CA-NE2 3.37Å; G676-H710 PolarHBondContact N-CD2 2.85Å |
| 677 | H | 95.6 | Very high | 93.3 | Very high | 56 Ų | 56 | 31.8 Ų | 31.8 | 26% | 0.259 | 17% | 0.168 | S | C | . | . | trans | -95.3 | 83.1 | -176.3 | -60.8 | -46.1 | 0 | 0 | 0 | 112.2 | T638 N639 G640 S672 S675 D679 C680 V681 | T638-H677 PolarHBondContact O-NE2 3.03Å; N639-H677 VanDerWaalsContact C-NE2 3.34Å; G640-H677 WeakPolarHBondContact CA-CD2 3.47Å; G640-H677 PolarHBondContact N-CD2 2.88Å; G640-H677 PolarHBondContact N-NE2 3.31Å; S672-H677 PolarHBondContact O-N 2.9Å; S675-H677 VanDerWaalsContact CB-CD2 3.47Å; S675-H677 WeakPolarHBondContact CB-CD2 3.39Å; S675-H677 WeakPolarHBondContact CB-NE2 3.4Å; H677-D679 PolarHBondContact O-N 3.49Å; H677-C680 HydrophobicContact CB-CB 4.02Å; H677-C680 WeakPolarHBondContact O-CB 3.28Å; H677-C680 PolarHBondContact O-N 3.49Å; H677-C680 VanDerWaalsContact O-N 3.12Å; H677-V681 WeakPolarHBondContact O-CG2 3.33Å; H677-V681 PolarHBondContact O-N 2.87Å | ||
| 678 | T | 94.4 | Very high | 93 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 16% | 0.16 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -52.9 | -45.2 | -175.8 | -50.1 | 0 | 0 | 0 | 0 | 113.2 | G676 C680 V681 Y682 E712 | G676-T678 PolarHBondContact O-N 3.47Å; T678-C680 VanDerWaalsContact C-N 3.35Å; T678-C680 PolarHBondContact O-N 2.9Å; T678-V681 WeakPolarHBondContact O-CB 3.23Å; T678-V681 PolarHBondContact O-N 3.02Å; T678-V681 VanDerWaalsContact O-N 3.12Å; T678-Y682 HydrophobicContact CG2-CD2 3.76Å; T678-Y682 HydrophobicContact CG2-CE2 3.54Å; T678-Y682 WeakPolarHBondContact O-CD2 3.39Å; T678-Y682 PolarHBondContact O-N 3.27Å; T678-E712 HydrophobicContact CG2-CB 3.96Å; T678-E712 PolarHBondContact OG1-OE2 3.16Å |
| 679 | D | 93.7 | Very high | 92.8 | Very high | 111 Ų | 111 | 34 Ų | 34 | 59% | 0.594 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -63.9 | -37.6 | 179.7 | -66.4 | -27.4 | 0 | 0 | 0 | 113.2 | H677 S683 | H677-D679 PolarHBondContact O-N 3.49Å; D679-S683 VanDerWaalsContact O-CB 3.3Å; D679-S683 WeakPolarHBondContact O-CB 3.32Å; D679-S683 PolarHBondContact O-N 2.95Å; D679-S683 PolarHBondContact O-OG 3.46Å |
| 680 | C | 94.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.4 | -38.7 | 174.4 | -71.1 | 0 | 0 | 0 | 0 | 111 | G640 L645 H677 T678 S683 L684 | G640-C680 VanDerWaalsContact C-SG 3.56Å; L645-C680 HydrophobicContact CD2-CB 3.68Å; H677-C680 HydrophobicContact CB-CB 4.02Å; H677-C680 WeakPolarHBondContact O-CB 3.28Å; H677-C680 PolarHBondContact O-N 3.49Å; H677-C680 VanDerWaalsContact O-N 3.12Å; T678-C680 VanDerWaalsContact C-N 3.35Å; T678-C680 PolarHBondContact O-N 2.9Å; C680-S683 PolarHBondContact O-N 3.44Å; C680-L684 WeakPolarHBondContact O-CB 3.46Å; C680-L684 WeakPolarHBondContact O-CD1 3.43Å; C680-L684 WeakPolarHBondContact O-CG 3.46Å; C680-L684 PolarHBondContact O-N 3.33Å |
| 681 | V | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.3 | -53.5 | 174.9 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | L669 S672 V673 H677 T678 S683 L684 L685 C713 A716 | L669-V681 HydrophobicContact CD1-CB 4.48Å; L669-V681 HydrophobicContact CD1-CG1 4.01Å; L669-V681 HydrophobicContact CD1-CG2 4.48Å; S672-V681 WeakPolarHBondContact OG-CG2 3.5Å; V673-V681 HydrophobicContact CG2-CG1 4.34Å; V673-V681 HydrophobicContact CG2-CG2 3.56Å; H677-V681 WeakPolarHBondContact O-CG2 3.33Å; H677-V681 PolarHBondContact O-N 2.87Å; T678-V681 WeakPolarHBondContact O-CB 3.23Å; T678-V681 PolarHBondContact O-N 3.02Å; T678-V681 VanDerWaalsContact O-N 3.12Å; V681-S683 VanDerWaalsContact C-N 3.32Å; V681-S683 PolarHBondContact O-N 2.73Å; V681-L684 PolarHBondContact O-N 2.82Å; V681-L685 HydrophobicContact CG1-CD1 3.66Å; V681-L685 HydrophobicContact CG1-CG 4.26Å; V681-L685 WeakPolarHBondContact O-CB 3.02Å; V681-L685 VanDerWaalsContact O-CG 3.27Å; V681-L685 WeakPolarHBondContact O-CG 3.08Å; V681-L685 PolarHBondContact O-N 2.95Å; V681-C713 HydrophobicContact CG2-CB 4.48Å; V681-A716 HydrophobicContact CG1-CB 4.04Å |
| 682 | Y | 93 | Very high | 92.2 | Very high | 74 Ų | 74 | 40.3 Ų | 40.3 | 29% | 0.29 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.7 | -41.6 | 176.8 | -81.3 | -67.5 | 0 | 0 | 0 | 112.6 | T678 L684 L685 N686 A716 Q719 | T678-Y682 HydrophobicContact CG2-CD2 3.76Å; T678-Y682 HydrophobicContact CG2-CE2 3.54Å; T678-Y682 WeakPolarHBondContact O-CD2 3.39Å; T678-Y682 PolarHBondContact O-N 3.27Å; Y682-L684 VanDerWaalsContact C-N 3.33Å; Y682-L684 PolarHBondContact O-N 3.07Å; Y682-L685 PolarHBondContact O-N 3.3Å; Y682-N686 VanDerWaalsContact O-CB 3.24Å; Y682-N686 WeakPolarHBondContact O-CB 3.31Å; Y682-N686 PolarHBondContact O-N 2.94Å; Y682-N686 PolarHBondContact O-ND2 3.12Å; Y682-A716 HydrophobicContact CD1-CB 4.43Å; Y682-A716 HydrophobicContact CE1-CB 3.85Å; Y682-A716 HydrophobicContact CE2-CB 4.02Å; Y682-Q719 PolarHBondContact OH-OE1 3.02Å |
| 683 | S | 91.1 | Very high | 92 | Very high | 22 Ų | 22 | 41 Ų | 41 | 15% | 0.154 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.2 | -40 | 178.7 | -62.5 | 0 | 0 | 0 | 0 | 112.4 | D679 C680 V681 K687 | D679-S683 VanDerWaalsContact O-CB 3.3Å; D679-S683 WeakPolarHBondContact O-CB 3.32Å; D679-S683 PolarHBondContact O-N 2.95Å; D679-S683 PolarHBondContact O-OG 3.46Å; C680-S683 PolarHBondContact O-N 3.44Å; V681-S683 VanDerWaalsContact C-N 3.32Å; V681-S683 PolarHBondContact O-N 2.73Å; S683-K687 WeakPolarHBondContact O-CG 3.44Å; S683-K687 PolarHBondContact O-N 2.81Å |
| 684 | L | 91.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.1 | -45.7 | 176.3 | -72.6 | 161.5 | 0 | 0 | 0 | 111.7 | A637 L645 I649 V658 P668 L669 C680 V681 Y682 K687 G688 A689 | A637-L684 HydrophobicContact CB-CD1 4.44Å; L645-L684 HydrophobicContact CD1-CD2 4.42Å; L645-L684 HydrophobicContact CD2-CD1 4.05Å; L645-L684 HydrophobicContact CD2-CD2 4.34Å; L645-L684 HydrophobicContact CD2-CG 3.95Å; I649-L684 HydrophobicContact CD1-CD2 3.52Å; I649-L684 HydrophobicContact CD1-CG 4.35Å; V658-L684 HydrophobicContact CG1-CD2 3.82Å; P668-L684 HydrophobicContact CB-CD1 4.21Å; P668-L684 HydrophobicContact CB-CD2 4.15Å; L669-L684 HydrophobicContact CB-CD1 4.28Å; L669-L684 HydrophobicContact CD1-CB 4.23Å; L669-L684 HydrophobicContact CD1-CD1 4.44Å; C680-L684 WeakPolarHBondContact O-CB 3.46Å; C680-L684 WeakPolarHBondContact O-CD1 3.43Å; C680-L684 WeakPolarHBondContact O-CG 3.46Å; C680-L684 PolarHBondContact O-N 3.33Å; V681-L684 PolarHBondContact O-N 2.82Å; Y682-L684 VanDerWaalsContact C-N 3.33Å; Y682-L684 PolarHBondContact O-N 3.07Å; L684-K687 CarbonylContact O-C 3.57Å; L684-K687 PolarHBondContact O-N 3.33Å; L684-K687 VanDerWaalsContact O-N 3.15Å; L684-G688 PolarHBondContact O-N 3.12Å; L684-A689 HydrophobicContact CB-CB 3.94Å; L684-A689 VanDerWaalsContact O-CB 3.26Å; L684-A689 WeakPolarHBondContact O-CB 3.41Å; L684-A689 PolarHBondContact O-N 3.11Å |
| 685 | L | 91.3 | Very high | 91.8 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 179.9 | -68.7 | 174.9 | 0 | 0 | 0 | 112.1 | L669 V681 Y682 K687 G688 V691 A716 L717 H720 | L669-L685 HydrophobicContact CD1-CD2 4.13Å; L669-L685 HydrophobicContact CD1-CG 4.17Å; L669-L685 HydrophobicContact CD2-CD2 3.91Å; V681-L685 HydrophobicContact CG1-CD1 3.66Å; V681-L685 HydrophobicContact CG1-CG 4.26Å; V681-L685 WeakPolarHBondContact O-CB 3.02Å; V681-L685 VanDerWaalsContact O-CG 3.27Å; V681-L685 WeakPolarHBondContact O-CG 3.08Å; V681-L685 PolarHBondContact O-N 2.95Å; Y682-L685 PolarHBondContact O-N 3.3Å; L685-K687 PolarHBondContact O-N 2.85Å; L685-G688 PolarHBondContact O-N 3.41Å; L685-V691 HydrophobicContact CD2-CG1 3.42Å; L685-V691 VanDerWaalsContact CD2-CG1 3.42Å; L685-A716 HydrophobicContact CD1-CB 4.25Å; L685-L717 HydrophobicContact CD1-CD2 4.46Å; L685-L717 HydrophobicContact CD2-CD2 4.34Å; L685-H720 HydrophobicContact CD1-CB 4.42Å; L685-H720 HydrophobicContact CD2-CB 4.39Å |
| 686 | N | 89.2 | Confident | 91.7 | Very high | 118 Ų | 118 | 48.6 Ų | 48.6 | 63% | 0.631 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.6 | -24.4 | 175.6 | -72.7 | -23.9 | 0 | 0 | 0 | 112.9 | Y682 | Y682-N686 VanDerWaalsContact O-CB 3.24Å; Y682-N686 WeakPolarHBondContact O-CB 3.31Å; Y682-N686 PolarHBondContact O-N 2.94Å; Y682-N686 PolarHBondContact O-ND2 3.12Å |
| 687 | K | 86.5 | Confident | 91.5 | Very high | 119 Ų | 119 | 52.9 Ų | 52.9 | 52% | 0.517 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 5.7 | 174.9 | -71.6 | -72.1 | -174 | 172.9 | 0 | 113.5 | I649 V658 S683 L684 L685 | I649-K687 HydrophobicContact CG2-CB 3.93Å; I649-K687 HydrophobicContact CG2-CD 4.06Å; I649-K687 HydrophobicContact CG2-CG 3.75Å; V658-K687 HydrophobicContact CG2-CB 4.47Å; S683-K687 WeakPolarHBondContact O-CG 3.44Å; S683-K687 PolarHBondContact O-N 2.81Å; L684-K687 CarbonylContact O-C 3.57Å; L684-K687 PolarHBondContact O-N 3.33Å; L684-K687 VanDerWaalsContact O-N 3.15Å; L685-K687 PolarHBondContact O-N 2.85Å |
| 688 | G | 87.3 | Confident | 91.2 | Very high | 38 Ų | 38 | 51 Ų | 51 | 39% | 0.392 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 26.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L684 L685 | L684-G688 PolarHBondContact O-N 3.12Å; L685-G688 PolarHBondContact O-N 3.41Å |
| 689 | A | 90.1 | Very high | 91.1 | Very high | 9 Ų | 9 | 53 Ų | 53 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | trans | -56.6 | 137.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | V658 L669 L684 V691 | V658-A689 HydrophobicContact CG1-CB 3.48Å; V658-A689 VanDerWaalsContact CG1-CB 3.48Å; L669-A689 HydrophobicContact CB-CB 4.35Å; L669-A689 HydrophobicContact CD2-CB 4.02Å; L684-A689 HydrophobicContact CB-CB 3.94Å; L684-A689 VanDerWaalsContact O-CB 3.26Å; L684-A689 WeakPolarHBondContact O-CB 3.41Å; L684-A689 PolarHBondContact O-N 3.11Å; A689-V691 PolarHBondContact O-N 2.95Å | ||
| 690 | S | 90.5 | Very high | 91.1 | Very high | 47 Ų | 47 | 47.7 Ų | 47.7 | 33% | 0.329 | 24% | 0.24 | S | C | . | . | trans | -75.1 | 113.9 | 179.2 | -175 | 0 | 0 | 0 | 0 | 111.6 | D659 E692 A693 | D659-S690 PolarHBondContact OD1-N 3.48Å; D659-S690 VanDerWaalsContact OD2-CB 3.24Å; D659-S690 WeakPolarHBondContact OD2-CB 3.49Å; D659-S690 PolarHBondContact OD2-N 2.99Å; S690-E692 PolarHBondContact O-N 2.72Å; S690-A693 PolarHBondContact O-N 3.11Å; S690-A693 PolarHBondContact OG-N 2.84Å | ||
| 691 | V | 90.8 | Very high | 91.1 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 13% | 0.127 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -24.5 | 173.4 | -63 | 0 | 0 | 0 | 0 | 112.9 | L669 L685 A689 L717 H720 A722 | L669-V691 HydrophobicContact CD2-CG1 4.37Å; L685-V691 HydrophobicContact CD2-CG1 3.42Å; L685-V691 VanDerWaalsContact CD2-CG1 3.42Å; A689-V691 PolarHBondContact O-N 2.95Å; V691-L717 HydrophobicContact CG1-CD2 3.97Å; V691-H720 HydrophobicContact CG1-CB 4.3Å; V691-A722 HydrophobicContact CB-CB 4.17Å; V691-A722 HydrophobicContact CG2-CB 4.25Å |
| 692 | E | 90.4 | Very high | 91.1 | Very high | 67 Ų | 67 | 47.8 Ų | 47.8 | 31% | 0.313 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 2.9 | -177.1 | -63.7 | -54.7 | 123.5 | 0 | 0 | 113.7 | S690 K694 N723 | S690-E692 PolarHBondContact O-N 2.72Å; E692-K694 PolarHBondContact O-N 3.21Å; E692-N723 PolarHBondContact OE1-N 2.76Å |
| 693 | A | 90.9 | Very high | 91.1 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 12% | 0.124 | 23% | 0.227 | C | C | . | . | trans | -55.5 | 140.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T667 M670 S690 T700 | T667-A693 HydrophobicContact CG2-CB 3.76Å; M670-A693 HydrophobicContact CE-CB 3.97Å; M670-A693 WeakPolarHBondContact CE-O 3.42Å; S690-A693 PolarHBondContact O-N 3.11Å; S690-A693 PolarHBondContact OG-N 2.84Å; A693-T700 WeakPolarHBondContact O-CA 3.28Å | ||
| 694 | K | 92.1 | Very high | 91.2 | Very high | 107 Ų | 107 | 44 Ų | 44 | 47% | 0.465 | 22% | 0.222 | S | C | . | . | trans | -119.5 | 136.5 | -178.2 | -66.9 | -178.2 | -175.9 | -178.2 | 0 | 111 | E692 R699 T700 | E692-K694 PolarHBondContact O-N 3.21Å; K694-R699 WeakPolarHBondContact CA-O 3.34Å; K694-T700 HydrophobicContact CG-CG2 4.08Å | ||
| 695 | D | 92.6 | Very high | 91.3 | Very high | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | trans | -76.2 | 179.8 | 170.1 | 73.8 | 9.3 | 0 | 0 | 0 | 111.7 | G665 M670 W697 G698 R699 R704 | G665-D695 WeakPolarHBondContact O-CA 3.26Å; M670-D695 HydrophobicContact SD-CB 4.1Å; D695-W697 HydrophobicContact CB-CE3 4.4Å; D695-W697 PolarHBondContact O-N 2.71Å; D695-W697 VanDerWaalsContact OD1-CA 3.31Å; D695-W697 WeakPolarHBondContact OD1-CA 3.38Å; D695-W697 WeakPolarHBondContact OD1-CB 3.5Å; D695-W697 PolarHBondContact OD1-N 2.89Å; D695-G698 PolarHBondContact O-N 2.97Å; D695-G698 PolarHBondContact OD1-N 3.33Å; D695-G698 VanDerWaalsContact OD1-N 3.12Å; D695-R699 PolarHBondContact N-O 3.27Å; D695-R699 WeakPolarHBondContact OD1-CB 3.39Å; D695-R699 PolarHBondContact OD1-N 3.11Å; D695-R699 IonicContact OD1-NE 2.82Å; D695-R699 IonicContact OD2-CZ 3.66Å; D695-R699 IonicContact OD2-NE 3.64Å; D695-R699 PolarHBondContact OD2-NE 2.83Å; D695-R699 IonicContact OD2-NH2 2.86Å; D695-R699 PolarHBondContact OD2-NH2 3.35Å; D695-R704 IonicContact OD2-CZ 3.31Å; D695-R704 IonicContact OD2-NH2 3.29Å; D695-R704 PolarHBondContact OD2-NH2 3.37Å | ||
| 696 | K | 91.3 | Very high | 91.4 | Very high | 150 Ų | 150 | 43.5 Ų | 43.5 | 65% | 0.652 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -18.3 | 177.4 | -74.1 | 179.3 | 176.7 | -178.6 | 0 | 114.7 | G663 N664 | G663-K696 WeakPolarHBondContact O-CE 3.16Å; G663-K696 PolarHBondContact O-NZ 2.96Å; N664-K696 WeakPolarHBondContact O-CG 3.5Å; N664-K696 PolarHBondContact O-N 2.99Å |
| 697 | W | 89.5 | Confident | 91.6 | Very high | 110 Ų | 110 | 41 Ų | 41 | 42% | 0.417 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 8.2 | 177.7 | -58.8 | -85.3 | 0 | 0 | 0 | 112.6 | N664 D695 R699 C729 | N664-W697 HydrophobicContact CB-CH2 4.25Å; N664-W697 HydrophobicContact CB-CZ3 4.03Å; D695-W697 HydrophobicContact CB-CE3 4.4Å; D695-W697 PolarHBondContact O-N 2.71Å; D695-W697 VanDerWaalsContact OD1-CA 3.31Å; D695-W697 WeakPolarHBondContact OD1-CA 3.38Å; D695-W697 WeakPolarHBondContact OD1-CB 3.5Å; D695-W697 PolarHBondContact OD1-N 2.89Å; W697-R699 VanDerWaalsContact C-N 3.28Å; W697-R699 HydrophobicContact CB-CG 4.32Å; W697-R699 PolarHBondContact O-N 2.99Å; W697-C729 WeakPolarHBondContact O-CB 3.37Å; W697-C729 PolarHBondContact O-N 3.25Å; W697-C729 PolarHBondContact O-SG 2.92Å |
| 698 | G | 89.4 | Confident | 91.9 | Very high | 18 Ų | 18 | 37.1 Ų | 37.1 | 19% | 0.186 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 75.7 | 12.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D695 | D695-G698 PolarHBondContact O-N 2.97Å; D695-G698 PolarHBondContact OD1-N 3.33Å; D695-G698 VanDerWaalsContact OD1-N 3.12Å |
| 699 | R | 92.8 | Very high | 92.1 | Very high | 66 Ų | 66 | 36.1 Ų | 36.1 | 25% | 0.249 | 18% | 0.184 | C | C | . | . | trans | -88 | 135.7 | -178.1 | -60.5 | 179.3 | -68.5 | -167.5 | -9 | 111.1 | M670 K694 D695 W697 H703 D728 | M670-R699 WeakPolarHBondContact CE-O 3.21Å; K694-R699 WeakPolarHBondContact CA-O 3.34Å; D695-R699 PolarHBondContact N-O 3.27Å; D695-R699 WeakPolarHBondContact OD1-CB 3.39Å; D695-R699 PolarHBondContact OD1-N 3.11Å; D695-R699 IonicContact OD1-NE 2.82Å; D695-R699 IonicContact OD2-CZ 3.66Å; D695-R699 IonicContact OD2-NE 3.64Å; D695-R699 PolarHBondContact OD2-NE 2.83Å; D695-R699 IonicContact OD2-NH2 2.86Å; D695-R699 PolarHBondContact OD2-NH2 3.35Å; W697-R699 VanDerWaalsContact C-N 3.28Å; W697-R699 HydrophobicContact CB-CG 4.32Å; W697-R699 PolarHBondContact O-N 2.99Å; R699-H703 HydrophobicContact CB-CB 3.96Å; R699-H703 HydrophobicContact CG-CB 4.35Å; R699-D728 HydrophobicContact CG-CB 3.98Å | ||
| 700 | T | 94.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | trans | -91 | 173.8 | 173.2 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | A693 K694 L702 H703 R704 V726 | A693-T700 WeakPolarHBondContact O-CA 3.28Å; K694-T700 HydrophobicContact CG-CG2 4.08Å; T700-L702 PolarHBondContact O-N 2.96Å; T700-H703 PolarHBondContact N-ND1 3.11Å; T700-H703 WeakPolarHBondContact O-CB 3.23Å; T700-H703 PolarHBondContact O-N 3Å; T700-H703 PolarHBondContact OG1-ND1 3.21Å; T700-R704 PolarHBondContact O-N 3.3Å; T700-V726 HydrophobicContact CG2-CB 4.41Å; T700-V726 HydrophobicContact CG2-CG1 3.84Å; T700-V726 HydrophobicContact CG2-CG2 3.84Å | ||
| 701 | A | 93.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.017 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57 | -36.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | L669 M670 V673 H703 R704 G705 L717 | L669-A701 HydrophobicContact CD2-CB 4.29Å; L669-A701 HydrophobicContact CG-CB 4.12Å; M670-A701 HydrophobicContact CG-CB 4.21Å; V673-A701 WeakPolarHBondContact CG1-O 3.47Å; V673-A701 HydrophobicContact CG2-CB 4.27Å; A701-H703 PolarHBondContact O-N 2.93Å; A701-R704 WeakPolarHBondContact O-CB 3.43Å; A701-R704 PolarHBondContact O-N 3.07Å; A701-G705 PolarHBondContact O-N 3.38Å; A701-L717 HydrophobicContact CB-CD1 3.95Å; A701-L717 HydrophobicContact CB-CD2 4.04Å |
| 702 | L | 94.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.4 | -39 | 178.5 | -166.2 | 62.5 | 0 | 0 | 0 | 112.9 | T700 R704 G705 S706 V714 L717 L718 A722 V724 P734 L750 | T700-L702 PolarHBondContact O-N 2.96Å; L702-R704 PolarHBondContact O-N 3.48Å; L702-G705 PolarHBondContact O-N 2.92Å; L702-S706 WeakPolarHBondContact O-CB 3.21Å; L702-S706 PolarHBondContact O-N 3.03Å; L702-S706 PolarHBondContact O-OG 3.13Å; L702-V714 HydrophobicContact CD1-CG1 3.79Å; L702-L717 HydrophobicContact CB-CD1 4.32Å; L702-L717 HydrophobicContact CD1-CB 4.23Å; L702-L717 HydrophobicContact CD1-CD1 4.11Å; L702-L718 HydrophobicContact CD1-CD2 4.36Å; L702-L718 HydrophobicContact CD2-CD2 4.41Å; L702-A722 HydrophobicContact CD2-CB 4.25Å; L702-V724 HydrophobicContact CD2-CG1 4.12Å; L702-P734 HydrophobicContact CB-CG 4.25Å; L702-P734 HydrophobicContact CD2-CB 4.2Å; L702-P734 HydrophobicContact CD2-CG 3.88Å; L702-P734 HydrophobicContact CG-CB 3.99Å; L702-P734 HydrophobicContact CG-CG 3.92Å; L702-L750 HydrophobicContact CD1-CD2 3.88Å; L702-L750 HydrophobicContact CD2-CD2 3.95Å; L702-L750 HydrophobicContact CG-CD2 4.04Å |
| 703 | H | 94.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -33.9 | 173.7 | -74.2 | 91.1 | 0 | 0 | 0 | 112.3 | R699 T700 A701 V707 V726 R732 L737 | R699-H703 HydrophobicContact CB-CB 3.96Å; R699-H703 HydrophobicContact CG-CB 4.35Å; T700-H703 PolarHBondContact N-ND1 3.11Å; T700-H703 WeakPolarHBondContact O-CB 3.23Å; T700-H703 PolarHBondContact O-N 3Å; T700-H703 PolarHBondContact OG1-ND1 3.21Å; A701-H703 PolarHBondContact O-N 2.93Å; H703-V707 WeakPolarHBondContact O-CG2 3.37Å; H703-V707 PolarHBondContact O-N 2.95Å; H703-V726 VanDerWaalsContact CE1-CG1 3.4Å; H703-V726 WeakPolarHBondContact CE1-CG1 3.43Å; H703-V726 PolarHBondContact CE1-O 3.07Å; H703-V726 VanDerWaalsContact CE1-O 3.32Å; H703-V726 PolarHBondContact NE2-O 2.8Å; H703-R732 PolarHBondContact NE2-O 3.47Å; H703-L737 HydrophobicContact CB-CD1 4.01Å |
| 704 | R | 92.9 | Very high | 92.9 | Very high | 15 Ų | 15 | 43.1 Ų | 43.1 | 6% | 0.057 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.8 | -46.1 | 179.9 | -65.7 | 177.6 | 174.8 | -77.4 | -8.1 | 111 | M670 L674 D695 T700 A701 L702 S706 V707 T708 | M670-R704 WeakPolarHBondContact O-CD 3.32Å; L674-R704 HydrophobicContact CD1-CB 4.37Å; D695-R704 IonicContact OD2-CZ 3.31Å; D695-R704 IonicContact OD2-NH2 3.29Å; D695-R704 PolarHBondContact OD2-NH2 3.37Å; T700-R704 PolarHBondContact O-N 3.3Å; A701-R704 WeakPolarHBondContact O-CB 3.43Å; A701-R704 PolarHBondContact O-N 3.07Å; L702-R704 PolarHBondContact O-N 3.48Å; R704-S706 PolarHBondContact O-N 2.87Å; R704-V707 PolarHBondContact O-N 2.92Å; R704-T708 PolarHBondContact O-N 3.34Å; R704-T708 PolarHBondContact O-OG1 3.31Å; R704-T708 VanDerWaalsContact O-OG1 3.06Å |
| 705 | G | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.3 | -34.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V673 A701 L702 V707 G709 | V673-G705 VanDerWaalsContact CG1-CA 3.49Å; A701-G705 PolarHBondContact O-N 3.38Å; L702-G705 PolarHBondContact O-N 2.92Å; G705-V707 VanDerWaalsContact C-N 3.34Å; G705-V707 PolarHBondContact O-N 3.29Å; G705-G709 PolarHBondContact O-N 2.62Å |
| 706 | S | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.5 | -24.5 | 175.4 | -55.7 | 0 | 0 | 0 | 0 | 114.5 | L702 R704 P734 A738 H743 | L702-S706 WeakPolarHBondContact O-CB 3.21Å; L702-S706 PolarHBondContact O-N 3.03Å; L702-S706 PolarHBondContact O-OG 3.13Å; R704-S706 PolarHBondContact O-N 2.87Å; S706-P734 WeakPolarHBondContact CB-O 3.18Å; S706-P734 WeakPolarHBondContact OG-CB 3.46Å; S706-P734 PolarHBondContact OG-O 3.18Å; S706-A738 WeakPolarHBondContact O-CA 3.46Å; S706-H743 PolarHBondContact O-CD2 2.83Å |
| 707 | V | 94.1 | Very high | 93.1 | Very high | 64 Ų | 64 | 35.7 Ų | 35.7 | 39% | 0.388 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -85.9 | -37.6 | 175.3 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | H703 R704 G705 L737 H743 | H703-V707 WeakPolarHBondContact O-CG2 3.37Å; H703-V707 PolarHBondContact O-N 2.95Å; R704-V707 PolarHBondContact O-N 2.92Å; G705-V707 VanDerWaalsContact C-N 3.34Å; G705-V707 PolarHBondContact O-N 3.29Å; V707-L737 HydrophobicContact CG2-CB 3.96Å; V707-L737 HydrophobicContact CG2-CD1 3.77Å; V707-L737 HydrophobicContact CG2-CD2 4.43Å; V707-L737 HydrophobicContact CG2-CG 4.27Å; V707-H743 PolarHBondContact O-NE2 2.92Å |
| 708 | T | 92.4 | Very high | 93.2 | Very high | 39 Ų | 39 | 32.1 Ų | 32.1 | 24% | 0.239 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -86 | -23.1 | -175.3 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | L674 R704 H710 | L674-T708 HydrophobicContact CD1-CG2 3.75Å; L674-T708 WeakPolarHBondContact O-CG2 3.37Å; R704-T708 PolarHBondContact O-N 3.34Å; R704-T708 PolarHBondContact O-OG1 3.31Å; R704-T708 VanDerWaalsContact O-OG1 3.06Å; T708-H710 PolarHBondContact OG1-CD2 2.59Å |
| 709 | G | 92.2 | Very high | 93.2 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 17% | 0.165 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 17 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G705 E711 H743 | G705-G709 PolarHBondContact O-N 2.62Å; G709-E711 PolarHBondContact O-N 3.43Å; G709-H743 VanDerWaalsContact CA-CG 3.44Å; G709-H743 PolarHBondContact N-NE2 3.38Å |
| 710 | H | 93.6 | Very high | 93 | Very high | 68 Ų | 68 | 36.9 Ų | 36.9 | 32% | 0.315 | 18% | 0.184 | S | C | . | . | trans | -79.3 | 90.6 | 179.4 | -60.8 | -46.3 | 0 | 0 | 0 | 111 | V673 G676 T708 E712 C713 V714 | V673-H710 PolarHBondContact O-CD2 3.18Å; G676-H710 WeakPolarHBondContact CA-CD2 3.43Å; G676-H710 WeakPolarHBondContact CA-NE2 3.37Å; G676-H710 PolarHBondContact N-CD2 2.85Å; T708-H710 PolarHBondContact OG1-CD2 2.59Å; H710-E712 PolarHBondContact O-N 3.41Å; H710-C713 HydrophobicContact CB-CB 3.99Å; H710-C713 WeakPolarHBondContact O-CB 3.45Å; H710-C713 PolarHBondContact O-N 2.87Å; H710-V714 PolarHBondContact O-N 3.07Å | ||
| 711 | E | 93.4 | Very high | 92.6 | Very high | 111 Ų | 111 | 41.9 Ų | 41.9 | 52% | 0.519 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -54.3 | -51.7 | -174.1 | -66.6 | 178.4 | -174 | 0 | 0 | 113.2 | G709 C713 V714 E715 G745 V746 | G709-E711 PolarHBondContact O-N 3.43Å; E711-C713 VanDerWaalsContact C-N 3.31Å; E711-C713 PolarHBondContact O-N 2.96Å; E711-V714 CarbonylContact O-C 3.59Å; E711-V714 PolarHBondContact O-N 3.36Å; E711-V714 VanDerWaalsContact O-N 3.08Å; E711-E715 PolarHBondContact O-N 3.3Å; E711-G745 VanDerWaalsContact OE1-CA 3.28Å; E711-G745 WeakPolarHBondContact OE1-CA 3.48Å; E711-V746 HydrophobicContact CB-CG2 4.47Å; E711-V746 HydrophobicContact CG-CG2 3.78Å |
| 712 | E | 93 | Very high | 92.4 | Very high | 123 Ų | 123 | 42.3 Ų | 42.3 | 58% | 0.575 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -60.9 | -38.5 | -179.8 | -62 | 176.8 | 176.8 | 0 | 0 | 112.8 | T678 H710 V714 E715 A716 | T678-E712 HydrophobicContact CG2-CB 3.96Å; T678-E712 PolarHBondContact OG1-OE2 3.16Å; H710-E712 PolarHBondContact O-N 3.41Å; E712-V714 VanDerWaalsContact C-N 3.34Å; E712-E715 PolarHBondContact O-N 3.45Å; E712-A716 WeakPolarHBondContact O-CB 3.33Å; E712-A716 PolarHBondContact O-N 3.41Å |
| 713 | C | 94.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 176.4 | -72.6 | 0 | 0 | 0 | 0 | 111.1 | V673 V681 H710 E711 L717 | V673-C713 HydrophobicContact CG1-CB 4.29Å; V673-C713 HydrophobicContact CG2-CB 4.44Å; V681-C713 HydrophobicContact CG2-CB 4.48Å; H710-C713 HydrophobicContact CB-CB 3.99Å; H710-C713 WeakPolarHBondContact O-CB 3.45Å; H710-C713 PolarHBondContact O-N 2.87Å; E711-C713 VanDerWaalsContact C-N 3.31Å; E711-C713 PolarHBondContact O-N 2.96Å; C713-L717 VanDerWaalsContact O-CG 3.29Å; C713-L717 WeakPolarHBondContact O-CG 3.44Å; C713-L717 PolarHBondContact O-N 3.33Å; C713-L717 VanDerWaalsContact O-N 3.16Å |
| 714 | V | 94.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.1 | -43.2 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | L702 H710 E711 E712 A716 L717 L718 V746 L750 | L702-V714 HydrophobicContact CD1-CG1 3.79Å; H710-V714 PolarHBondContact O-N 3.07Å; E711-V714 CarbonylContact O-C 3.59Å; E711-V714 PolarHBondContact O-N 3.36Å; E711-V714 VanDerWaalsContact O-N 3.08Å; E712-V714 VanDerWaalsContact C-N 3.34Å; V714-A716 VanDerWaalsContact C-N 3.34Å; V714-A716 PolarHBondContact O-N 3.31Å; V714-L717 WeakPolarHBondContact O-CB 3.31Å; V714-L717 PolarHBondContact O-N 2.59Å; V714-L717 VanDerWaalsContact O-N 3.16Å; V714-L718 HydrophobicContact CG1-CD1 3.92Å; V714-L718 HydrophobicContact CG1-CG 4.24Å; V714-L718 WeakPolarHBondContact O-CG 3.43Å; V714-L718 PolarHBondContact O-N 3Å; V714-V746 HydrophobicContact CB-CG1 4.41Å; V714-V746 HydrophobicContact CG1-CG1 4.13Å; V714-V746 HydrophobicContact CG2-CG1 3.95Å; V714-V746 HydrophobicContact CG2-CG2 4.15Å; V714-L750 HydrophobicContact CG1-CD2 4.26Å; V714-L750 HydrophobicContact CG1-CG 4.47Å |
| 715 | E | 92.8 | Very high | 91.5 | Very high | 110 Ų | 110 | 47.1 Ų | 47.1 | 51% | 0.514 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.3 | -45.8 | 176.4 | -168.4 | -175.8 | 168.7 | 0 | 0 | 111.2 | E711 E712 L717 L718 Q719 | E711-E715 PolarHBondContact O-N 3.3Å; E712-E715 PolarHBondContact O-N 3.45Å; E715-L717 VanDerWaalsContact C-N 3.3Å; E715-L717 PolarHBondContact O-N 3.16Å; E715-L718 PolarHBondContact O-N 3.29Å; E715-L718 VanDerWaalsContact O-N 3.12Å; E715-Q719 HydrophobicContact CG-CG 4.5Å; E715-Q719 WeakPolarHBondContact O-CG 3.31Å; E715-Q719 PolarHBondContact O-N 2.96Å; E715-Q719 PolarHBondContact OE1-NE2 3.42Å |
| 716 | A | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V681 Y682 L685 E712 V714 H720 | V681-A716 HydrophobicContact CG1-CB 4.04Å; Y682-A716 HydrophobicContact CD1-CB 4.43Å; Y682-A716 HydrophobicContact CE1-CB 3.85Å; Y682-A716 HydrophobicContact CE2-CB 4.02Å; L685-A716 HydrophobicContact CD1-CB 4.25Å; E712-A716 WeakPolarHBondContact O-CB 3.33Å; E712-A716 PolarHBondContact O-N 3.41Å; V714-A716 VanDerWaalsContact C-N 3.34Å; V714-A716 PolarHBondContact O-N 3.31Å; A716-H720 PolarHBondContact O-CD2 3Å; A716-H720 VanDerWaalsContact O-CD2 3.29Å; A716-H720 PolarHBondContact O-N 3.13Å |
| 717 | L | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 174.9 | -68.9 | 171.5 | 0 | 0 | 0 | 112.1 | L669 V673 L685 V691 A701 L702 C713 V714 E715 H720 S721 A722 | L669-L717 HydrophobicContact CD1-CD2 4.35Å; L669-L717 HydrophobicContact CD2-CD2 4.15Å; L669-L717 HydrophobicContact CG-CD2 4.46Å; V673-L717 HydrophobicContact CG1-CD1 4.26Å; V673-L717 HydrophobicContact CG2-CD1 4.04Å; V673-L717 HydrophobicContact CG2-CG 4.46Å; L685-L717 HydrophobicContact CD1-CD2 4.46Å; L685-L717 HydrophobicContact CD2-CD2 4.34Å; V691-L717 HydrophobicContact CG1-CD2 3.97Å; A701-L717 HydrophobicContact CB-CD1 3.95Å; A701-L717 HydrophobicContact CB-CD2 4.04Å; L702-L717 HydrophobicContact CB-CD1 4.32Å; L702-L717 HydrophobicContact CD1-CB 4.23Å; L702-L717 HydrophobicContact CD1-CD1 4.11Å; C713-L717 VanDerWaalsContact O-CG 3.29Å; C713-L717 WeakPolarHBondContact O-CG 3.44Å; C713-L717 PolarHBondContact O-N 3.33Å; C713-L717 VanDerWaalsContact O-N 3.16Å; V714-L717 WeakPolarHBondContact O-CB 3.31Å; V714-L717 PolarHBondContact O-N 2.59Å; V714-L717 VanDerWaalsContact O-N 3.16Å; E715-L717 VanDerWaalsContact C-N 3.3Å; E715-L717 PolarHBondContact O-N 3.16Å; L717-H720 CarbonylContact O-C 3.56Å; L717-H720 PolarHBondContact O-N 3.05Å; L717-S721 PolarHBondContact O-N 3.33Å; L717-A722 HydrophobicContact CB-CB 4.05Å; L717-A722 WeakPolarHBondContact O-CB 3.36Å; L717-A722 PolarHBondContact O-N 3.19Å; L717-A722 VanDerWaalsContact O-N 3.12Å |
| 718 | L | 90.8 | Very high | 91 | Very high | 36 Ų | 36 | 50.1 Ų | 50.1 | 19% | 0.188 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 179.5 | -68.3 | 174.7 | 0 | 0 | 0 | 112.1 | L702 V714 E715 H720 S721 V724 L750 A753 | L702-L718 HydrophobicContact CD1-CD2 4.36Å; L702-L718 HydrophobicContact CD2-CD2 4.41Å; V714-L718 HydrophobicContact CG1-CD1 3.92Å; V714-L718 HydrophobicContact CG1-CG 4.24Å; V714-L718 WeakPolarHBondContact O-CG 3.43Å; V714-L718 PolarHBondContact O-N 3Å; E715-L718 PolarHBondContact O-N 3.29Å; E715-L718 VanDerWaalsContact O-N 3.12Å; L718-H720 PolarHBondContact O-N 3.4Å; L718-S721 PolarHBondContact O-N 2.74Å; L718-V724 HydrophobicContact CD2-CG1 3.47Å; L718-V724 VanDerWaalsContact CD2-CG1 3.47Å; L718-L750 HydrophobicContact CD1-CD2 4.48Å; L718-L750 HydrophobicContact CD2-CD2 4.27Å; L718-A753 HydrophobicContact CD1-CB 4.28Å; L718-A753 HydrophobicContact CD2-CB 3.94Å |
| 719 | Q | 90.1 | Very high | 90.8 | Very high | 108 Ų | 108 | 52.7 Ų | 52.7 | 51% | 0.505 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58 | -34.3 | 172.8 | -72.6 | 173.4 | 1.4 | 0 | 0 | 111.7 | Y682 E715 S721 | Y682-Q719 PolarHBondContact OH-OE1 3.02Å; E715-Q719 HydrophobicContact CG-CG 4.5Å; E715-Q719 WeakPolarHBondContact O-CG 3.31Å; E715-Q719 PolarHBondContact O-N 2.96Å; E715-Q719 PolarHBondContact OE1-NE2 3.42Å; Q719-S721 PolarHBondContact O-N 3.27Å |
| 720 | H | 89 | Confident | 90.5 | Very high | 76 Ų | 76 | 57.6 Ų | 57.6 | 35% | 0.352 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 23.9 | 174.3 | -76.5 | -98 | 0 | 0 | 0 | 113.9 | L685 V691 A716 L717 L718 A722 | L685-H720 HydrophobicContact CD1-CB 4.42Å; L685-H720 HydrophobicContact CD2-CB 4.39Å; V691-H720 HydrophobicContact CG1-CB 4.3Å; A716-H720 PolarHBondContact O-CD2 3Å; A716-H720 VanDerWaalsContact O-CD2 3.29Å; A716-H720 PolarHBondContact O-N 3.13Å; L717-H720 CarbonylContact O-C 3.56Å; L717-H720 PolarHBondContact O-N 3.05Å; L718-H720 PolarHBondContact O-N 3.4Å; H720-A722 PolarHBondContact O-N 3.15Å |
| 721 | S | 86.6 | Confident | 90.2 | Very high | 106 Ų | 106 | 54.9 Ų | 54.9 | 74% | 0.741 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 35 | 173.5 | -55.5 | 0 | 0 | 0 | 0 | 115.2 | L717 L718 Q719 | L717-S721 PolarHBondContact O-N 3.33Å; L718-S721 PolarHBondContact O-N 2.74Å; Q719-S721 PolarHBondContact O-N 3.27Å |
| 722 | A | 88.6 | Confident | 90.1 | Very high | 11 Ų | 11 | 52 Ų | 52 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | trans | -63.2 | 137.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V691 L702 L717 H720 V724 | V691-A722 HydrophobicContact CB-CB 4.17Å; V691-A722 HydrophobicContact CG2-CB 4.25Å; L702-A722 HydrophobicContact CD2-CB 4.25Å; L717-A722 HydrophobicContact CB-CB 4.05Å; L717-A722 WeakPolarHBondContact O-CB 3.36Å; L717-A722 PolarHBondContact O-N 3.19Å; L717-A722 VanDerWaalsContact O-N 3.12Å; H720-A722 PolarHBondContact O-N 3.15Å; A722-V724 PolarHBondContact O-N 3.46Å | ||
| 723 | N | 88.4 | Confident | 90 | Very high | 74 Ų | 74 | 46.2 Ų | 46.2 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | trans | -78.6 | 112.6 | -177 | -174.2 | -5.7 | 0 | 0 | 0 | 112.3 | E692 L725 V726 | E692-N723 PolarHBondContact OE1-N 2.76Å; N723-L725 VanDerWaalsContact C-N 3.26Å; N723-L725 PolarHBondContact O-N 3.15Å; N723-L725 WeakPolarHBondContact OD1-CB 3.36Å; N723-L725 PolarHBondContact OD1-N 3.34Å; N723-V726 WeakPolarHBondContact O-CG1 3.43Å | ||
| 724 | V | 87.9 | Confident | 89.9 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -15.3 | 178.3 | -59.6 | 0 | 0 | 0 | 0 | 114.5 | L702 L718 A722 P734 L750 A753 A754 | L702-V724 HydrophobicContact CD2-CG1 4.12Å; L718-V724 HydrophobicContact CD2-CG1 3.47Å; L718-V724 VanDerWaalsContact CD2-CG1 3.47Å; A722-V724 PolarHBondContact O-N 3.46Å; V724-P734 WeakPolarHBondContact O-CD 3.34Å; V724-L750 HydrophobicContact CB-CD2 4.46Å; V724-L750 HydrophobicContact CG1-CD2 3.85Å; V724-A753 HydrophobicContact CG1-CB 3.93Å; V724-A754 HydrophobicContact CG2-CB 3.92Å |
| 725 | L | 86 | Confident | 89.8 | Confident | 36 Ų | 36 | 46 Ų | 46 | 19% | 0.188 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 4.9 | -177.2 | -58.4 | 178.7 | 0 | 0 | 0 | 113.2 | N723 R727 V757 P761 L763 | N723-L725 VanDerWaalsContact C-N 3.26Å; N723-L725 PolarHBondContact O-N 3.15Å; N723-L725 WeakPolarHBondContact OD1-CB 3.36Å; N723-L725 PolarHBondContact OD1-N 3.34Å; L725-R727 PolarHBondContact O-N 3.18Å; L725-V757 HydrophobicContact CD1-CG1 4.4Å; L725-P761 HydrophobicContact CD1-CG 3.97Å; L725-P761 HydrophobicContact CD2-CG 4.48Å; L725-L763 HydrophobicContact CD2-CD2 3.89Å |
| 726 | V | 88.7 | Confident | 89.7 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | trans | -62.7 | 136.6 | 176.4 | 61.9 | 0 | 0 | 0 | 0 | 110.6 | T700 H703 N723 T733 P734 | T700-V726 HydrophobicContact CG2-CB 4.41Å; T700-V726 HydrophobicContact CG2-CG1 3.84Å; T700-V726 HydrophobicContact CG2-CG2 3.84Å; H703-V726 VanDerWaalsContact CE1-CG1 3.4Å; H703-V726 WeakPolarHBondContact CE1-CG1 3.43Å; H703-V726 PolarHBondContact CE1-O 3.07Å; H703-V726 VanDerWaalsContact CE1-O 3.32Å; H703-V726 PolarHBondContact NE2-O 2.8Å; N723-V726 WeakPolarHBondContact O-CG1 3.43Å; V726-T733 WeakPolarHBondContact O-CA 3.41Å; V726-P734 HydrophobicContact CG1-CG 4.18Å; V726-P734 VanDerWaalsContact O-CD 3.27Å; V726-P734 WeakPolarHBondContact O-CD 3.5Å | ||
| 727 | R | 89.8 | Confident | 89.7 | Confident | 109 Ų | 109 | 41.5 Ų | 41.5 | 41% | 0.411 | 22% | 0.217 | S | C | . | . | trans | -107.2 | 135.8 | -177.6 | -65 | -177.9 | -179.2 | -133 | -2.2 | 111.4 | L725 R732 T733 A762 T764 | L725-R727 PolarHBondContact O-N 3.18Å; R727-R732 WeakPolarHBondContact CA-O 3.27Å; R727-T733 HydrophobicContact CG-CG2 4.06Å; R727-A762 PolarHBondContact NH2-O 2.81Å; R727-T764 PolarHBondContact NH1-O 2.9Å; R727-T764 PolarHBondContact NH2-O 3.38Å | ||
| 728 | D | 90.7 | Very high | 89.7 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 6% | 0.059 | 22% | 0.217 | C | C | . | . | trans | -73.6 | 179.6 | 168.1 | 79.9 | -3.8 | 0 | 0 | 0 | 112 | R699 K730 G731 R732 | R699-D728 HydrophobicContact CG-CB 3.98Å; D728-K730 PolarHBondContact O-N 3.36Å; D728-K730 VanDerWaalsContact O-N 3.07Å; D728-K730 WeakPolarHBondContact OD1-CA 3.45Å; D728-K730 WeakPolarHBondContact OD1-CB 3.33Å; D728-K730 PolarHBondContact OD1-N 3.47Å; D728-G731 PolarHBondContact O-N 3.41Å; D728-G731 PolarHBondContact OD1-N 3.1Å; D728-G731 VanDerWaalsContact OD1-N 3.12Å; D728-R732 PolarHBondContact N-O 3.04Å; D728-R732 WeakPolarHBondContact OD1-CB 3.27Å; D728-R732 PolarHBondContact OD1-N 3.35Å; D728-R732 IonicContact OD1-NE 3.74Å; D728-R732 IonicContact OD2-CZ 2.76Å; D728-R732 VanDerWaalsContact OD2-CZ 3.25Å; D728-R732 IonicContact OD2-NE 2.87Å; D728-R732 PolarHBondContact OD2-NE 2.95Å; D728-R732 IonicContact OD2-NH2 3.21Å; D728-R732 PolarHBondContact OD2-NH2 3.42Å | ||
| 729 | C | 89 | Confident | 89.8 | Confident | 92 Ų | 92 | 39.8 Ų | 39.8 | 62% | 0.622 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.1 | 178.8 | 64.7 | 0 | 0 | 0 | 0 | 115.1 | W697 | W697-C729 WeakPolarHBondContact O-CB 3.37Å; W697-C729 PolarHBondContact O-N 3.25Å; W697-C729 PolarHBondContact O-SG 2.92Å |
| 730 | K | 87.1 | Confident | 90 | Very high | 119 Ų | 119 | 35.5 Ų | 35.5 | 52% | 0.517 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 6 | 174.3 | -64.7 | -173.5 | 176.8 | -174.2 | 0 | 112.4 | D728 R732 S766 | D728-K730 PolarHBondContact O-N 3.36Å; D728-K730 VanDerWaalsContact O-N 3.07Å; D728-K730 WeakPolarHBondContact OD1-CA 3.45Å; D728-K730 WeakPolarHBondContact OD1-CB 3.33Å; D728-K730 PolarHBondContact OD1-N 3.47Å; K730-R732 VanDerWaalsContact C-N 3.27Å; K730-R732 HydrophobicContact CB-CG 4.23Å; K730-R732 PolarHBondContact O-N 2.93Å; K730-S766 VanDerWaalsContact O-CB 3.23Å; K730-S766 WeakPolarHBondContact O-CB 3.17Å; K730-S766 PolarHBondContact O-N 3.29Å; K730-S766 VanDerWaalsContact O-N 3.11Å; K730-S766 PolarHBondContact O-OG 2.93Å |
| 731 | G | 87.2 | Confident | 90.2 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 11% | 0.113 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 78.8 | 6.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D728 | D728-G731 PolarHBondContact O-N 3.41Å; D728-G731 PolarHBondContact OD1-N 3.1Å; D728-G731 VanDerWaalsContact OD1-N 3.12Å |
| 732 | R | 90.5 | Very high | 90.5 | Very high | 51 Ų | 51 | 30 Ų | 30 | 19% | 0.192 | 16% | 0.164 | C | C | . | . | trans | -82.1 | 138.9 | -176.8 | -60.6 | 176.1 | -62.5 | 175.4 | 5.5 | 110.1 | H703 R727 D728 K730 H736 D765 | H703-R732 PolarHBondContact NE2-O 3.47Å; R727-R732 WeakPolarHBondContact CA-O 3.27Å; D728-R732 PolarHBondContact N-O 3.04Å; D728-R732 WeakPolarHBondContact OD1-CB 3.27Å; D728-R732 PolarHBondContact OD1-N 3.35Å; D728-R732 IonicContact OD1-NE 3.74Å; D728-R732 IonicContact OD2-CZ 2.76Å; D728-R732 VanDerWaalsContact OD2-CZ 3.25Å; D728-R732 IonicContact OD2-NE 2.87Å; D728-R732 PolarHBondContact OD2-NE 2.95Å; D728-R732 IonicContact OD2-NH2 3.21Å; D728-R732 PolarHBondContact OD2-NH2 3.42Å; K730-R732 VanDerWaalsContact C-N 3.27Å; K730-R732 HydrophobicContact CB-CG 4.23Å; K730-R732 PolarHBondContact O-N 2.93Å; R732-H736 HydrophobicContact CB-CB 4.09Å; R732-D765 HydrophobicContact CG-CB 3.92Å | ||
| 733 | T | 91.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | trans | -92.7 | 165 | 173.1 | 69 | 0 | 0 | 0 | 0 | 111.1 | V726 R727 I735 H736 L737 L763 | V726-T733 WeakPolarHBondContact O-CA 3.41Å; R727-T733 HydrophobicContact CG-CG2 4.06Å; T733-I735 PolarHBondContact O-N 3.06Å; T733-H736 PolarHBondContact N-ND1 3.47Å; T733-H736 WeakPolarHBondContact O-CB 3.43Å; T733-H736 PolarHBondContact O-N 3.22Å; T733-H736 PolarHBondContact OG1-ND1 2.92Å; T733-L737 PolarHBondContact O-N 3.47Å; T733-L763 HydrophobicContact CG2-CD2 4.5Å | ||
| 734 | P | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -48.2 | -38.7 | 170.1 | -31.3 | 36.7 | 0 | 0 | 0 | 113.6 | L702 S706 V724 V726 H736 L737 A738 L750 | L702-P734 HydrophobicContact CB-CG 4.25Å; L702-P734 HydrophobicContact CD2-CB 4.2Å; L702-P734 HydrophobicContact CD2-CG 3.88Å; L702-P734 HydrophobicContact CG-CB 3.99Å; L702-P734 HydrophobicContact CG-CG 3.92Å; S706-P734 WeakPolarHBondContact CB-O 3.18Å; S706-P734 WeakPolarHBondContact OG-CB 3.46Å; S706-P734 PolarHBondContact OG-O 3.18Å; V724-P734 WeakPolarHBondContact O-CD 3.34Å; V726-P734 HydrophobicContact CG1-CG 4.18Å; V726-P734 VanDerWaalsContact O-CD 3.27Å; V726-P734 WeakPolarHBondContact O-CD 3.5Å; P734-H736 VanDerWaalsContact C-N 3.33Å; P734-H736 PolarHBondContact O-N 3.14Å; P734-L737 PolarHBondContact O-N 2.92Å; P734-L737 VanDerWaalsContact O-N 3.11Å; P734-A738 PolarHBondContact O-N 2.85Å; P734-L750 HydrophobicContact CB-CD1 4.09Å; P734-L750 HydrophobicContact CB-CD2 4.27Å |
| 735 | I | 91.6 | Very high | 91 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.5 | -40.6 | 176.8 | -56.7 | 171.3 | 0 | 0 | 0 | 111.5 | T733 L737 A738 A739 L747 L750 L751 A754 L763 P771 | T733-I735 PolarHBondContact O-N 3.06Å; I735-L737 VanDerWaalsContact C-N 3.31Å; I735-L737 PolarHBondContact O-N 3.19Å; I735-A738 PolarHBondContact O-N 2.94Å; I735-A739 VanDerWaalsContact O-CB 3.29Å; I735-A739 WeakPolarHBondContact O-CB 3.13Å; I735-A739 PolarHBondContact O-N 3.02Å; I735-L747 HydrophobicContact CG2-CD1 3.76Å; I735-L750 HydrophobicContact CG1-CB 4.02Å; I735-L750 HydrophobicContact CG1-CD1 4.4Å; I735-L751 HydrophobicContact CD1-CD2 4.43Å; I735-L751 HydrophobicContact CG2-CD2 4.15Å; I735-A754 HydrophobicContact CD1-CB 4.25Å; I735-L763 HydrophobicContact CD1-CD1 4.32Å; I735-L763 HydrophobicContact CD1-CD2 4.14Å; I735-P771 HydrophobicContact CB-CG 4.39Å; I735-P771 HydrophobicContact CG2-CB 4.01Å; I735-P771 HydrophobicContact CG2-CG 3.73Å |
| 736 | H | 91.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | 176.4 | -68 | 77.4 | 0 | 0 | 0 | 111.4 | R732 T733 P734 A740 L763 D765 Y769 P771 W774 | R732-H736 HydrophobicContact CB-CB 4.09Å; T733-H736 PolarHBondContact N-ND1 3.47Å; T733-H736 WeakPolarHBondContact O-CB 3.43Å; T733-H736 PolarHBondContact O-N 3.22Å; T733-H736 PolarHBondContact OG1-ND1 2.92Å; P734-H736 VanDerWaalsContact C-N 3.33Å; P734-H736 PolarHBondContact O-N 3.14Å; H736-A740 WeakPolarHBondContact O-CB 3.3Å; H736-A740 PolarHBondContact O-N 2.72Å; H736-L763 PolarHBondContact NE2-O 3.28Å; H736-D765 PolarHBondContact NE2-N 3.17Å; H736-Y769 PolarHBondContact NE2-O 3.46Å; H736-P771 WeakPolarHBondContact NE2-CD 3.38Å; H736-W774 AromaticContact CD2-CD1 3.91Å |
| 737 | L | 93.3 | Very high | 91.5 | Very high | 13 Ų | 13 | 31 Ų | 31 | 7% | 0.068 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72 | -41.7 | -179.9 | -63.7 | -178.8 | 0 | 0 | 0 | 111.7 | H703 V707 T733 P734 I735 A739 A740 C741 | H703-L737 HydrophobicContact CB-CD1 4.01Å; V707-L737 HydrophobicContact CG2-CB 3.96Å; V707-L737 HydrophobicContact CG2-CD1 3.77Å; V707-L737 HydrophobicContact CG2-CD2 4.43Å; V707-L737 HydrophobicContact CG2-CG 4.27Å; T733-L737 PolarHBondContact O-N 3.47Å; P734-L737 PolarHBondContact O-N 2.92Å; P734-L737 VanDerWaalsContact O-N 3.11Å; I735-L737 VanDerWaalsContact C-N 3.31Å; I735-L737 PolarHBondContact O-N 3.19Å; L737-A739 VanDerWaalsContact C-N 3.35Å; L737-A739 PolarHBondContact O-N 2.81Å; L737-A740 PolarHBondContact O-N 3.01Å; L737-C741 WeakPolarHBondContact O-CB 3.31Å; L737-C741 PolarHBondContact O-N 3.1Å; L737-C741 PolarHBondContact O-SG 2.89Å; L737-C741 VanDerWaalsContact O-SG 3.4Å |
| 738 | A | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S706 P734 I735 C741 G742 H743 V746 L747 L750 | S706-A738 WeakPolarHBondContact O-CA 3.46Å; P734-A738 PolarHBondContact O-N 2.85Å; I735-A738 PolarHBondContact O-N 2.94Å; A738-C741 PolarHBondContact O-N 2.88Å; A738-G742 PolarHBondContact O-N 3.37Å; A738-H743 PolarHBondContact O-N 3.06Å; A738-H743 VanDerWaalsContact O-N 3.14Å; A738-V746 HydrophobicContact CB-CG1 4.12Å; A738-L747 HydrophobicContact CB-CB 4.21Å; A738-L747 HydrophobicContact CB-CD1 4.28Å; A738-L750 HydrophobicContact CB-CD1 3.96Å |
| 739 | A | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.2 | -37.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I735 L737 C741 L747 P771 A775 H780 L787 | I735-A739 VanDerWaalsContact O-CB 3.29Å; I735-A739 WeakPolarHBondContact O-CB 3.13Å; I735-A739 PolarHBondContact O-N 3.02Å; L737-A739 VanDerWaalsContact C-N 3.35Å; L737-A739 PolarHBondContact O-N 2.81Å; A739-C741 VanDerWaalsContact C-N 3.32Å; A739-C741 PolarHBondContact O-N 2.9Å; A739-L747 HydrophobicContact CB-CD1 4.42Å; A739-P771 HydrophobicContact CB-CB 3.83Å; A739-A775 HydrophobicContact CB-CB 4.27Å; A739-A775 WeakPolarHBondContact O-CA 3.48Å; A739-H780 PolarHBondContact O-CD2 3.16Å; A739-L787 HydrophobicContact CB-CD1 4.1Å |
| 740 | A | 93.3 | Very high | 91.3 | Very high | 19 Ų | 19 | 23.8 Ų | 23.8 | 16% | 0.157 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71 | -25.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | H736 L737 W774 N778 H780 | H736-A740 WeakPolarHBondContact O-CB 3.3Å; H736-A740 PolarHBondContact O-N 2.72Å; L737-A740 PolarHBondContact O-N 3.01Å; A740-W774 HydrophobicContact CB-CB 3.96Å; A740-W774 HydrophobicContact CB-CE3 4.27Å; A740-W774 HydrophobicContact CB-CG 4.46Å; A740-N778 PolarHBondContact O-ND2 2.81Å; A740-H780 PolarHBondContact O-CD2 3.46Å; A740-H780 PolarHBondContact O-NE2 3.23Å |
| 741 | C | 92.7 | Very high | 91.3 | Very high | 48 Ų | 48 | 18.6 Ų | 18.6 | 32% | 0.324 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -100.1 | -8.7 | -179.4 | -67.4 | 0 | 0 | 0 | 0 | 113.8 | L737 A738 A739 H743 | L737-C741 WeakPolarHBondContact O-CB 3.31Å; L737-C741 PolarHBondContact O-N 3.1Å; L737-C741 PolarHBondContact O-SG 2.89Å; L737-C741 VanDerWaalsContact O-SG 3.4Å; A738-C741 PolarHBondContact O-N 2.88Å; A739-C741 VanDerWaalsContact C-N 3.32Å; A739-C741 PolarHBondContact O-N 2.9Å; C741-H743 VanDerWaalsContact CB-CD2 3.46Å; C741-H743 WeakPolarHBondContact CB-CD2 3.35Å |
| 742 | G | 92.8 | Very high | 91.3 | Very high | 19 Ų | 19 | 24.8 Ų | 24.8 | 20% | 0.196 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 20.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A738 I744 H780 C783 | A738-G742 PolarHBondContact O-N 3.37Å; G742-I744 PolarHBondContact O-N 3.24Å; G742-H780 VanDerWaalsContact CA-CD2 3.46Å; G742-H780 WeakPolarHBondContact CA-CD2 3.39Å; G742-H780 VanDerWaalsContact CA-CG 3.45Å; G742-H780 PolarHBondContact N-CD2 3Å; G742-H780 VanDerWaalsContact N-CD2 3.26Å; G742-H780 PolarHBondContact N-NE2 3.38Å; G742-C783 VanDerWaalsContact C-SG 3.54Å |
| 743 | H | 94.6 | Very high | 91 | Very high | 49 Ų | 49 | 23.5 Ų | 23.5 | 23% | 0.227 | 15% | 0.154 | C | C | . | . | trans | -87.7 | 86.9 | -175.8 | -62.8 | -52.8 | 0 | 0 | 0 | 111.3 | S706 V707 G709 A738 C741 V746 L747 | S706-H743 PolarHBondContact O-CD2 2.83Å; V707-H743 PolarHBondContact O-NE2 2.92Å; G709-H743 VanDerWaalsContact CA-CG 3.44Å; G709-H743 PolarHBondContact N-NE2 3.38Å; A738-H743 PolarHBondContact O-N 3.06Å; A738-H743 VanDerWaalsContact O-N 3.14Å; C741-H743 VanDerWaalsContact CB-CD2 3.46Å; C741-H743 WeakPolarHBondContact CB-CD2 3.35Å; H743-V746 HydrophobicContact CB-CB 4.06Å; H743-V746 HydrophobicContact CB-CG2 4.32Å; H743-V746 PolarHBondContact O-N 2.86Å; H743-L747 VanDerWaalsContact O-CB 3.25Å; H743-L747 WeakPolarHBondContact O-CB 3.26Å; H743-L747 PolarHBondContact O-N 3.42Å | ||
| 744 | I | 92.6 | Very high | 90.5 | Very high | 74 Ų | 74 | 23.6 Ų | 23.6 | 38% | 0.379 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60.6 | -46 | -174 | -177.9 | 158.8 | 0 | 0 | 0 | 114.4 | G742 L747 G748 V786 | G742-I744 PolarHBondContact O-N 3.24Å; I744-L747 PolarHBondContact O-N 3.05Å; I744-G748 PolarHBondContact O-N 3.13Å; I744-V786 HydrophobicContact CD1-CG2 3.67Å; I744-V786 HydrophobicContact CG1-CG2 4.09Å |
| 745 | G | 89.4 | Confident | 89.7 | Confident | 31 Ų | 31 | 29 Ų | 29 | 32% | 0.32 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.6 | -39.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E711 G748 G749 | E711-G745 VanDerWaalsContact OE1-CA 3.28Å; E711-G745 WeakPolarHBondContact OE1-CA 3.48Å; G745-G748 PolarHBondContact O-N 3.38Å; G745-G749 PolarHBondContact O-N 3Å |
| 746 | V | 92.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 171.4 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | E711 V714 A738 H743 G748 G749 L750 | E711-V746 HydrophobicContact CB-CG2 4.47Å; E711-V746 HydrophobicContact CG-CG2 3.78Å; V714-V746 HydrophobicContact CB-CG1 4.41Å; V714-V746 HydrophobicContact CG1-CG1 4.13Å; V714-V746 HydrophobicContact CG2-CG1 3.95Å; V714-V746 HydrophobicContact CG2-CG2 4.15Å; A738-V746 HydrophobicContact CB-CG1 4.12Å; H743-V746 HydrophobicContact CB-CB 4.06Å; H743-V746 HydrophobicContact CB-CG2 4.32Å; H743-V746 PolarHBondContact O-N 2.86Å; V746-G748 PolarHBondContact O-N 2.89Å; V746-G749 PolarHBondContact O-N 2.77Å; V746-L750 HydrophobicContact CG1-CD1 3.77Å; V746-L750 HydrophobicContact CG1-CG 4.21Å; V746-L750 WeakPolarHBondContact O-CB 3.44Å; V746-L750 WeakPolarHBondContact O-CG 3.25Å; V746-L750 PolarHBondContact O-N 3.29Å |
| 747 | L | 91.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 178.2 | -178.9 | 62.1 | 0 | 0 | 0 | 111.3 | I735 A738 A739 H743 I744 L750 L751 C783 L787 | I735-L747 HydrophobicContact CG2-CD1 3.76Å; A738-L747 HydrophobicContact CB-CB 4.21Å; A738-L747 HydrophobicContact CB-CD1 4.28Å; A739-L747 HydrophobicContact CB-CD1 4.42Å; H743-L747 VanDerWaalsContact O-CB 3.25Å; H743-L747 WeakPolarHBondContact O-CB 3.26Å; H743-L747 PolarHBondContact O-N 3.42Å; I744-L747 PolarHBondContact O-N 3.05Å; L747-L750 PolarHBondContact O-N 2.76Å; L747-L751 HydrophobicContact CD1-CD1 4.06Å; L747-L751 HydrophobicContact CD1-CG 4.2Å; L747-L751 HydrophobicContact CG-CD1 3.89Å; L747-L751 HydrophobicContact CG-CG 4.43Å; L747-L751 WeakPolarHBondContact O-CB 3.47Å; L747-L751 VanDerWaalsContact O-CG 3.23Å; L747-L751 WeakPolarHBondContact O-CG 3.47Å; L747-L751 PolarHBondContact O-N 3.47Å; L747-C783 HydrophobicContact CD2-CB 3.72Å; L747-L787 HydrophobicContact CD1-CD2 4.33Å; L747-L787 HydrophobicContact CD2-CD1 4.39Å; L747-L787 HydrophobicContact CD2-CD2 4.42Å; L747-L787 HydrophobicContact CD2-CG 4.12Å |
| 748 | G | 88.5 | Confident | 85.7 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I744 G745 V746 L750 L751 H752 | I744-G748 PolarHBondContact O-N 3.13Å; G745-G748 PolarHBondContact O-N 3.38Å; V746-G748 PolarHBondContact O-N 2.89Å; G748-L750 PolarHBondContact O-N 2.88Å; G748-L751 PolarHBondContact O-N 2.9Å; G748-H752 WeakPolarHBondContact O-CB 3.5Å; G748-H752 PolarHBondContact O-N 2.84Å |
| 749 | G | 87.3 | Confident | 83.9 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 32% | 0.32 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G745 V746 A753 | G745-G749 PolarHBondContact O-N 3Å; V746-G749 PolarHBondContact O-N 2.77Å; G749-A753 WeakPolarHBondContact O-CB 3.4Å; G749-A753 PolarHBondContact O-N 2.7Å |
| 750 | L | 89.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.2 | -41 | 176.3 | -69.7 | 171.1 | 0 | 0 | 0 | 112.4 | L702 V714 L718 V724 P734 I735 A738 V746 L747 G748 A753 A754 | L702-L750 HydrophobicContact CD1-CD2 3.88Å; L702-L750 HydrophobicContact CD2-CD2 3.95Å; L702-L750 HydrophobicContact CG-CD2 4.04Å; V714-L750 HydrophobicContact CG1-CD2 4.26Å; V714-L750 HydrophobicContact CG1-CG 4.47Å; L718-L750 HydrophobicContact CD1-CD2 4.48Å; L718-L750 HydrophobicContact CD2-CD2 4.27Å; V724-L750 HydrophobicContact CB-CD2 4.46Å; V724-L750 HydrophobicContact CG1-CD2 3.85Å; P734-L750 HydrophobicContact CB-CD1 4.09Å; P734-L750 HydrophobicContact CB-CD2 4.27Å; I735-L750 HydrophobicContact CG1-CB 4.02Å; I735-L750 HydrophobicContact CG1-CD1 4.4Å; A738-L750 HydrophobicContact CB-CD1 3.96Å; V746-L750 HydrophobicContact CG1-CD1 3.77Å; V746-L750 HydrophobicContact CG1-CG 4.21Å; V746-L750 WeakPolarHBondContact O-CB 3.44Å; V746-L750 WeakPolarHBondContact O-CG 3.25Å; V746-L750 PolarHBondContact O-N 3.29Å; L747-L750 PolarHBondContact O-N 2.76Å; G748-L750 PolarHBondContact O-N 2.88Å; L750-A753 PolarHBondContact O-N 3.34Å; L750-A754 WeakPolarHBondContact O-CB 3.24Å; L750-A754 PolarHBondContact O-N 3.45Å |
| 751 | L | 87.6 | Confident | 81 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.9 | -41.5 | 178.4 | -71.5 | 171.5 | 0 | 0 | 0 | 111.4 | I735 L747 G748 A753 A754 Q755 V786 L787 L790 F793 | I735-L751 HydrophobicContact CD1-CD2 4.43Å; I735-L751 HydrophobicContact CG2-CD2 4.15Å; L747-L751 HydrophobicContact CD1-CD1 4.06Å; L747-L751 HydrophobicContact CD1-CG 4.2Å; L747-L751 HydrophobicContact CG-CD1 3.89Å; L747-L751 HydrophobicContact CG-CG 4.43Å; L747-L751 WeakPolarHBondContact O-CB 3.47Å; L747-L751 VanDerWaalsContact O-CG 3.23Å; L747-L751 WeakPolarHBondContact O-CG 3.47Å; L747-L751 PolarHBondContact O-N 3.47Å; G748-L751 PolarHBondContact O-N 2.9Å; L751-A753 VanDerWaalsContact C-N 3.34Å; L751-A753 PolarHBondContact O-N 3.34Å; L751-A754 PolarHBondContact O-N 2.98Å; L751-A754 VanDerWaalsContact O-N 3.12Å; L751-Q755 WeakPolarHBondContact O-CG 3.35Å; L751-Q755 PolarHBondContact O-N 3.05Å; L751-V786 HydrophobicContact CD1-CG1 3.94Å; L751-L787 HydrophobicContact CD1-CD2 4.09Å; L751-L787 HydrophobicContact CD2-CD2 4.43Å; L751-L790 HydrophobicContact CB-CD1 4.45Å; L751-L790 HydrophobicContact CD1-CD1 3.96Å; L751-L790 HydrophobicContact CD2-CD1 3.74Å; L751-L790 HydrophobicContact CG-CD1 4.26Å; L751-F793 HydrophobicContact CD2-CE2 4.44Å |
| 752 | H | 86.3 | Confident | 79.6 | Confident | 140 Ų | 140 | 56.8 Ų | 56.8 | 65% | 0.648 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.5 | -45.7 | 174.2 | -175.4 | 66.2 | 0 | 0 | 0 | 111.5 | G748 A754 Q755 | G748-H752 WeakPolarHBondContact O-CB 3.5Å; G748-H752 PolarHBondContact O-N 2.84Å; H752-A754 VanDerWaalsContact C-N 3.31Å; H752-A754 PolarHBondContact O-N 2.8Å; H752-Q755 PolarHBondContact O-N 3.36Å |
| 753 | A | 84.6 | Confident | 78.9 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 21% | 0.207 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.1 | -36.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L718 V724 G749 L750 L751 S756 | L718-A753 HydrophobicContact CD1-CB 4.28Å; L718-A753 HydrophobicContact CD2-CB 3.94Å; V724-A753 HydrophobicContact CG1-CB 3.93Å; G749-A753 WeakPolarHBondContact O-CB 3.4Å; G749-A753 PolarHBondContact O-N 2.7Å; L750-A753 PolarHBondContact O-N 3.34Å; L751-A753 VanDerWaalsContact C-N 3.34Å; L751-A753 PolarHBondContact O-N 3.34Å; A753-S756 PolarHBondContact O-N 3.36Å; A753-S756 PolarHBondContact O-OG 3.31Å |
| 754 | A | 81.9 | Confident | 78.4 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 3% | 0.025 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.1 | -30.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V724 I735 L750 L751 H752 S756 V757 L760 | V724-A754 HydrophobicContact CG2-CB 3.92Å; I735-A754 HydrophobicContact CD1-CB 4.25Å; L750-A754 WeakPolarHBondContact O-CB 3.24Å; L750-A754 PolarHBondContact O-N 3.45Å; L751-A754 PolarHBondContact O-N 2.98Å; L751-A754 VanDerWaalsContact O-N 3.12Å; H752-A754 VanDerWaalsContact C-N 3.31Å; H752-A754 PolarHBondContact O-N 2.8Å; A754-S756 PolarHBondContact O-N 3.13Å; A754-V757 WeakPolarHBondContact O-CB 3.45Å; A754-V757 PolarHBondContact O-N 2.69Å; A754-L760 HydrophobicContact CB-CD2 4.15Å |
| 755 | Q | 75.3 | Confident | 78.1 | Confident | 113 Ų | 113 | 52.4 Ų | 52.4 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.8 | -23.5 | 174.9 | -73.2 | 174 | 1 | 0 | 0 | 113.1 | L751 H752 V757 L790 | L751-Q755 WeakPolarHBondContact O-CG 3.35Å; L751-Q755 PolarHBondContact O-N 3.05Å; H752-Q755 PolarHBondContact O-N 3.36Å; Q755-V757 PolarHBondContact O-N 2.89Å; Q755-L790 VanDerWaalsContact NE2-CD2 3.35Å |
| 756 | S | 69.4 | Low | 77.9 | Confident | 99 Ų | 99 | 54.6 Ų | 54.6 | 69% | 0.692 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -10.2 | 176 | 75.4 | 0 | 0 | 0 | 0 | 113.8 | A753 A754 | A753-S756 PolarHBondContact O-N 3.36Å; A753-S756 PolarHBondContact O-OG 3.31Å; A754-S756 PolarHBondContact O-N 3.13Å |
| 757 | V | 70.4 | Confident | 77.5 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 35% | 0.345 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -90.2 | 116.4 | -179.8 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | L725 A754 Q755 T759 | L725-V757 HydrophobicContact CD1-CG1 4.4Å; A754-V757 WeakPolarHBondContact O-CB 3.45Å; A754-V757 PolarHBondContact O-N 2.69Å; Q755-V757 PolarHBondContact O-N 2.89Å; V757-T759 PolarHBondContact O-N 3.11Å |
| 758 | E | 52.2 | Low | 77.2 | Confident | 201 Ų | 201 | 61.5 Ų | 61.5 | 94% | 0.939 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -56 | -21.9 | -172.9 | -68.5 | -179.5 | 163.4 | 0 | 0 | 115.3 | ||
| 759 | T | 56.4 | Low | 77.2 | Confident | 117 Ų | 117 | 63.5 Ų | 63.5 | 72% | 0.718 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -137 | 102.6 | 175.1 | 50.5 | 0 | 0 | 0 | 0 | 110.6 | V757 P761 | V757-T759 PolarHBondContact O-N 3.11Å; T759-P761 VanDerWaalsContact O-CD 3.24Å; T759-P761 WeakPolarHBondContact O-CD 3.44Å |
| 760 | L | 61.3 | Low | 77.3 | Confident | 67 Ų | 67 | 62.9 Ų | 62.9 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | trans | -76.4 | 113.8 | 173.9 | -93 | 145.3 | 0 | 0 | 0 | 109.9 | A754 L763 | A754-L760 HydrophobicContact CB-CD2 4.15Å; L760-L763 HydrophobicContact CD2-CD1 4.33Å | ||
| 761 | P | 63.3 | Low | 77.3 | Confident | 63 Ų | 63 | 62.9 Ų | 62.9 | 41% | 0.409 | 35% | 0.352 | S | S | . | . | trans | -69.5 | 160.3 | 172.7 | 30 | -33.9 | 0 | 0 | 0 | 110.5 | L725 T759 L763 | L725-P761 HydrophobicContact CD1-CG 3.97Å; L725-P761 HydrophobicContact CD2-CG 4.48Å; T759-P761 VanDerWaalsContact O-CD 3.24Å; T759-P761 WeakPolarHBondContact O-CD 3.44Å; P761-L763 PolarHBondContact O-N 3.09Å | ||
| 762 | A | 64.7 | Low | 77.4 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 51% | 0.512 | 35% | 0.35 | S | S | . | . | trans | -52.7 | 113.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | R727 T764 | R727-A762 PolarHBondContact NH2-O 2.81Å; A762-T764 PolarHBondContact O-N 2.86Å | ||
| 763 | L | 76.5 | Confident | 77.6 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | trans | -76.8 | 66.1 | 178.8 | -73.7 | 169.8 | 0 | 0 | 0 | 109.3 | L725 T733 I735 H736 L760 P761 T770 P771 I792 F793 | L725-L763 HydrophobicContact CD2-CD2 3.89Å; T733-L763 HydrophobicContact CG2-CD2 4.5Å; I735-L763 HydrophobicContact CD1-CD1 4.32Å; I735-L763 HydrophobicContact CD1-CD2 4.14Å; H736-L763 PolarHBondContact NE2-O 3.28Å; L760-L763 HydrophobicContact CD2-CD1 4.33Å; P761-L763 PolarHBondContact O-N 3.09Å; L763-T770 WeakPolarHBondContact O-CA 3.13Å; L763-P771 HydrophobicContact CB-CG 4.48Å; L763-P771 VanDerWaalsContact O-CD 3.25Å; L763-P771 WeakPolarHBondContact O-CD 3.44Å; L763-I792 HydrophobicContact CD1-CD1 4.09Å; L763-F793 HydrophobicContact CB-CE1 4.47Å; L763-F793 HydrophobicContact CD1-CE1 4.27Å; L763-F793 HydrophobicContact CD1-CZ 3.75Å | ||
| 764 | T | 84.2 | Confident | 78 | Confident | 25 Ų | 25 | 58.4 Ų | 58.4 | 15% | 0.153 | 32% | 0.324 | C | S | . | . | trans | -117.4 | 139.3 | 178 | 50.6 | 0 | 0 | 0 | 0 | 110.6 | R727 A762 Y769 T770 | R727-T764 PolarHBondContact NH1-O 2.9Å; R727-T764 PolarHBondContact NH2-O 3.38Å; A762-T764 PolarHBondContact O-N 2.86Å; T764-Y769 WeakPolarHBondContact CA-O 3.41Å; T764-T770 HydrophobicContact CG2-CG2 4.01Å | ||
| 765 | D | 86.1 | Confident | 78.5 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.059 | 32% | 0.323 | C | S | . | . | trans | -72.8 | -177.8 | 168.7 | 73.4 | 10.8 | 0 | 0 | 0 | 112.1 | R732 H736 Q767 G768 Y769 W774 | R732-D765 HydrophobicContact CG-CB 3.92Å; H736-D765 PolarHBondContact NE2-N 3.17Å; D765-Q767 PolarHBondContact O-N 2.94Å; D765-Q767 VanDerWaalsContact O-N 3.09Å; D765-Q767 WeakPolarHBondContact OD1-CA 3.33Å; D765-Q767 PolarHBondContact OD1-N 3.4Å; D765-G768 PolarHBondContact O-N 2.85Å; D765-G768 VanDerWaalsContact O-N 3.07Å; D765-G768 PolarHBondContact OD1-N 2.88Å; D765-Y769 PolarHBondContact N-O 2.88Å; D765-Y769 PolarHBondContact OD1-N 3.12Å; D765-W774 PolarHBondContact OD2-NE1 3.18Å | ||
| 766 | S | 86.7 | Confident | 79.3 | Confident | 76 Ų | 76 | 52.9 Ų | 52.9 | 53% | 0.531 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -14.6 | 179.4 | 59.1 | 0 | 0 | 0 | 0 | 114.8 | K730 | K730-S766 VanDerWaalsContact O-CB 3.23Å; K730-S766 WeakPolarHBondContact O-CB 3.17Å; K730-S766 PolarHBondContact O-N 3.29Å; K730-S766 VanDerWaalsContact O-N 3.11Å; K730-S766 PolarHBondContact O-OG 2.93Å |
| 767 | Q | 84.5 | Confident | 80.3 | Confident | 134 Ų | 134 | 52.7 Ų | 52.7 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 6.7 | 178.5 | -59.2 | -58.5 | -49.2 | 0 | 0 | 112.3 | D765 Y769 N799 | D765-Q767 PolarHBondContact O-N 2.94Å; D765-Q767 VanDerWaalsContact O-N 3.09Å; D765-Q767 WeakPolarHBondContact OD1-CA 3.33Å; D765-Q767 PolarHBondContact OD1-N 3.4Å; Q767-Y769 VanDerWaalsContact C-N 3.34Å; Q767-Y769 HydrophobicContact CB-CD2 3.72Å; Q767-Y769 HydrophobicContact CB-CE2 3.86Å; Q767-N799 PolarHBondContact O-ND2 3.48Å |
| 768 | G | 85.3 | Confident | 81.3 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 80.4 | 7.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D765 N799 | D765-G768 PolarHBondContact O-N 2.85Å; D765-G768 VanDerWaalsContact O-N 3.07Å; D765-G768 PolarHBondContact OD1-N 2.88Å; G768-N799 WeakPolarHBondContact O-CB 3.29Å; G768-N799 PolarHBondContact O-N 2.99Å; G768-N799 VanDerWaalsContact O-N 3.13Å |
| 769 | Y | 88.2 | Confident | 83.2 | Confident | 71 Ų | 71 | 44.4 Ų | 44.4 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | trans | -81.6 | 136.2 | 176.7 | -66.1 | -71 | 0 | 0 | 0 | 111 | H736 T764 D765 Q767 H773 N799 F801 | H736-Y769 PolarHBondContact NE2-O 3.46Å; T764-Y769 WeakPolarHBondContact CA-O 3.41Å; D765-Y769 PolarHBondContact N-O 2.88Å; D765-Y769 PolarHBondContact OD1-N 3.12Å; Q767-Y769 VanDerWaalsContact C-N 3.34Å; Q767-Y769 HydrophobicContact CB-CD2 3.72Å; Q767-Y769 HydrophobicContact CB-CE2 3.86Å; Y769-H773 HydrophobicContact CD1-CB 3.88Å; Y769-H773 AromaticContact CD1-CD2 3.75Å; Y769-H773 AromaticContact CD1-CG 3.85Å; Y769-H773 HydrophobicContact CG-CB 4.45Å; Y769-N799 HydrophobicContact CD1-CB 4.4Å; Y769-N799 HydrophobicContact CE1-CB 4.47Å; Y769-N799 WeakPolarHBondContact CE1-ND2 3.46Å; Y769-N799 PolarHBondContact OH-ND2 3.13Å; Y769-F801 HydrophobicContact CE1-CB 4.49Å; Y769-F801 HydrophobicContact CE1-CD1 4.46Å | ||
| 770 | T | 89.6 | Confident | 85 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 10% | 0.104 | 23% | 0.225 | C | C | . | . | trans | -90.6 | 164.4 | 175.2 | 73.3 | 0 | 0 | 0 | 0 | 111.5 | L763 T764 L772 H773 W774 | L763-T770 WeakPolarHBondContact O-CA 3.13Å; T764-T770 HydrophobicContact CG2-CG2 4.01Å; T770-L772 PolarHBondContact O-N 3.43Å; T770-L772 PolarHBondContact OG1-N 3.32Å; T770-H773 PolarHBondContact N-ND1 2.78Å; T770-H773 VanDerWaalsContact N-ND1 3.12Å; T770-H773 WeakPolarHBondContact O-CB 3.5Å; T770-H773 PolarHBondContact O-N 3.04Å; T770-H773 PolarHBondContact OG1-CE1 3.15Å; T770-H773 PolarHBondContact OG1-ND1 3.34Å; T770-W774 PolarHBondContact O-N 3.33Å | ||
| 771 | P | 89.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -51.7 | -35.7 | 172.1 | -28.1 | 34.9 | 0 | 0 | 0 | 113.5 | I735 H736 A739 L763 H773 W774 A775 L787 F793 | I735-P771 HydrophobicContact CB-CG 4.39Å; I735-P771 HydrophobicContact CG2-CB 4.01Å; I735-P771 HydrophobicContact CG2-CG 3.73Å; H736-P771 WeakPolarHBondContact NE2-CD 3.38Å; A739-P771 HydrophobicContact CB-CB 3.83Å; L763-P771 HydrophobicContact CB-CG 4.48Å; L763-P771 VanDerWaalsContact O-CD 3.25Å; L763-P771 WeakPolarHBondContact O-CD 3.44Å; P771-H773 VanDerWaalsContact C-N 3.32Å; P771-H773 PolarHBondContact O-N 3.28Å; P771-W774 PolarHBondContact O-N 2.88Å; P771-W774 VanDerWaalsContact O-N 3.15Å; P771-A775 PolarHBondContact O-N 3.42Å; P771-L787 HydrophobicContact CB-CD1 4.26Å; P771-L787 HydrophobicContact CB-CD2 4.36Å; P771-F793 HydrophobicContact CG-CE1 4.28Å; P771-F793 HydrophobicContact CG-CZ 4.35Å |
| 772 | L | 90.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.8 | -39.8 | 176.1 | -175.3 | 62.3 | 0 | 0 | 0 | 111.8 | T770 W774 A775 C776 V784 L787 L788 F793 P803 L819 | T770-L772 PolarHBondContact O-N 3.43Å; T770-L772 PolarHBondContact OG1-N 3.32Å; L772-W774 VanDerWaalsContact C-N 3.31Å; L772-W774 PolarHBondContact O-N 2.96Å; L772-A775 PolarHBondContact O-N 3.2Å; L772-C776 VanDerWaalsContact O-CB 3.3Å; L772-C776 WeakPolarHBondContact O-CB 3.46Å; L772-C776 PolarHBondContact O-N 2.94Å; L772-C776 PolarHBondContact O-SG 2.98Å; L772-V784 HydrophobicContact CD1-CB 4.44Å; L772-V784 HydrophobicContact CD1-CG1 4.03Å; L772-V784 HydrophobicContact CD1-CG2 4.38Å; L772-L787 HydrophobicContact CB-CD1 4.38Å; L772-L787 HydrophobicContact CD1-CB 4.06Å; L772-L787 HydrophobicContact CD1-CD1 4.33Å; L772-L788 HydrophobicContact CD1-CD2 4.43Å; L772-L788 HydrophobicContact CD1-CG 4.32Å; L772-L788 HydrophobicContact CD2-CD2 4Å; L772-F793 HydrophobicContact CB-CD1 4.42Å; L772-F793 HydrophobicContact CD2-CB 4.2Å; L772-P803 HydrophobicContact CD2-CB 4.2Å; L772-P803 HydrophobicContact CD2-CG 3.95Å; L772-P803 HydrophobicContact CG-CB 4.05Å; L772-P803 HydrophobicContact CG-CG 4.15Å; L772-L819 HydrophobicContact CD1-CD2 4.39Å; L772-L819 HydrophobicContact CD2-CD2 4.06Å; L772-L819 HydrophobicContact CG-CD2 4.45Å |
| 773 | H | 90.2 | Very high | 89 | Confident | 9 Ų | 9 | 38.2 Ų | 38.2 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 175.7 | -65.5 | 80.7 | 0 | 0 | 0 | 111.7 | Y769 T770 P771 Y777 F801 P803 | Y769-H773 HydrophobicContact CD1-CB 3.88Å; Y769-H773 AromaticContact CD1-CD2 3.75Å; Y769-H773 AromaticContact CD1-CG 3.85Å; Y769-H773 HydrophobicContact CG-CB 4.45Å; T770-H773 PolarHBondContact N-ND1 2.78Å; T770-H773 VanDerWaalsContact N-ND1 3.12Å; T770-H773 WeakPolarHBondContact O-CB 3.5Å; T770-H773 PolarHBondContact O-N 3.04Å; T770-H773 PolarHBondContact OG1-CE1 3.15Å; T770-H773 PolarHBondContact OG1-ND1 3.34Å; P771-H773 VanDerWaalsContact C-N 3.32Å; P771-H773 PolarHBondContact O-N 3.28Å; H773-Y777 VanDerWaalsContact O-CB 3.25Å; H773-Y777 WeakPolarHBondContact O-CB 3.46Å; H773-Y777 PolarHBondContact O-N 3.04Å; H773-F801 PolarHBondContact CD2-O 3.41Å; H773-F801 VanDerWaalsContact CD2-O 3.25Å; H773-F801 PolarHBondContact NE2-O 2.98Å; H773-P803 WeakPolarHBondContact NE2-CD 3.48Å |
| 774 | W | 91.5 | Very high | 89.7 | Confident | 72 Ų | 72 | 37.6 Ų | 37.6 | 27% | 0.273 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -71.7 | -39 | 179.7 | -73.2 | 97.4 | 0 | 0 | 0 | 112.5 | H736 A740 D765 T770 P771 L772 Y777 N778 | H736-W774 AromaticContact CD2-CD1 3.91Å; A740-W774 HydrophobicContact CB-CB 3.96Å; A740-W774 HydrophobicContact CB-CE3 4.27Å; A740-W774 HydrophobicContact CB-CG 4.46Å; D765-W774 PolarHBondContact OD2-NE1 3.18Å; T770-W774 PolarHBondContact O-N 3.33Å; P771-W774 PolarHBondContact O-N 2.88Å; P771-W774 VanDerWaalsContact O-N 3.15Å; L772-W774 VanDerWaalsContact C-N 3.31Å; L772-W774 PolarHBondContact O-N 2.96Å; W774-Y777 PolarHBondContact O-N 3.06Å; W774-N778 PolarHBondContact O-N 2.94Å; W774-N778 VanDerWaalsContact O-N 3.12Å; W774-N778 PolarHBondContact O-ND2 3.28Å |
| 775 | A | 93 | Very high | 90 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | A739 P771 L772 Y777 N778 G779 H780 C783 V784 L787 | A739-A775 HydrophobicContact CB-CB 4.27Å; A739-A775 WeakPolarHBondContact O-CA 3.48Å; P771-A775 PolarHBondContact O-N 3.42Å; L772-A775 PolarHBondContact O-N 3.2Å; A775-Y777 PolarHBondContact O-N 3.3Å; A775-N778 PolarHBondContact O-N 3.28Å; A775-G779 PolarHBondContact O-N 3.33Å; A775-H780 PolarHBondContact O-N 3.47Å; A775-C783 HydrophobicContact CB-CB 4.18Å; A775-V784 HydrophobicContact CB-CG2 3.78Å; A775-L787 HydrophobicContact CB-CD1 4.1Å |
| 776 | C | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65 | -39.3 | 177.8 | -66.6 | 0 | 0 | 0 | 0 | 112.4 | L772 C806 A807 N812 | L772-C776 VanDerWaalsContact O-CB 3.3Å; L772-C776 WeakPolarHBondContact O-CB 3.46Å; L772-C776 PolarHBondContact O-N 2.94Å; L772-C776 PolarHBondContact O-SG 2.98Å; C776-C806 HydrophobicContact CB-CB 4.29Å; C776-A807 HydrophobicContact CB-CB 4.1Å; C776-A807 WeakPolarHBondContact O-CA 3.48Å; C776-N812 PolarHBondContact O-ND2 3.01Å |
| 777 | Y | 91.4 | Very high | 90.2 | Very high | 95 Ų | 95 | 38.9 Ų | 38.9 | 37% | 0.373 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -68.8 | -33.6 | 178.4 | -174 | -96.1 | 0 | 0 | 0 | 113 | H773 W774 A775 C806 I809 R810 | H773-Y777 VanDerWaalsContact O-CB 3.25Å; H773-Y777 WeakPolarHBondContact O-CB 3.46Å; H773-Y777 PolarHBondContact O-N 3.04Å; W774-Y777 PolarHBondContact O-N 3.06Å; A775-Y777 PolarHBondContact O-N 3.3Å; Y777-C806 HydrophobicContact CD2-CB 4.4Å; Y777-I809 HydrophobicContact CE2-CG2 4.48Å; Y777-R810 HydrophobicContact CD2-CG 3.68Å; Y777-R810 HydrophobicContact CE1-CG 4.48Å; Y777-R810 HydrophobicContact CE2-CG 3.6Å; Y777-R810 HydrophobicContact CG-CG 4.16Å; Y777-R810 VanDerWaalsContact CZ-NH1 3.34Å; Y777-R810 WeakPolarHBondContact O-CB 3.39Å; Y777-R810 VanDerWaalsContact O-CG 3.31Å; Y777-R810 WeakPolarHBondContact O-CG 3.45Å; Y777-R810 PolarHBondContact OH-NH1 3.5Å |
| 778 | N | 91.5 | Very high | 90.3 | Very high | 66 Ų | 66 | 33 Ų | 33 | 35% | 0.353 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -93.2 | -6 | 179.8 | -66.7 | -74.5 | 0 | 0 | 0 | 113.8 | A740 W774 A775 | A740-N778 PolarHBondContact O-ND2 2.81Å; W774-N778 PolarHBondContact O-N 2.94Å; W774-N778 VanDerWaalsContact O-N 3.12Å; W774-N778 PolarHBondContact O-ND2 3.28Å; A775-N778 PolarHBondContact O-N 3.28Å |
| 779 | G | 90.4 | Very high | 90.3 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 39.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A775 D781 N812 | A775-G779 PolarHBondContact O-N 3.33Å; G779-D781 PolarHBondContact O-N 3.22Å; G779-N812 WeakPolarHBondContact CA-ND2 3.46Å; G779-N812 WeakPolarHBondContact CA-OD1 2.92Å; G779-N812 PolarHBondContact N-ND2 3.1Å; G779-N812 VanDerWaalsContact N-ND2 3.16Å |
| 780 | H | 94.1 | Very high | 89.9 | Confident | 51 Ų | 51 | 37.6 Ų | 37.6 | 24% | 0.236 | 19% | 0.187 | C | C | . | . | trans | -98.4 | 78.2 | 179.6 | -62.8 | -41.6 | 0 | 0 | 0 | 110.9 | A739 A740 G742 A775 T782 C783 V784 | A739-H780 PolarHBondContact O-CD2 3.16Å; A740-H780 PolarHBondContact O-CD2 3.46Å; A740-H780 PolarHBondContact O-NE2 3.23Å; G742-H780 VanDerWaalsContact CA-CD2 3.46Å; G742-H780 WeakPolarHBondContact CA-CD2 3.39Å; G742-H780 VanDerWaalsContact CA-CG 3.45Å; G742-H780 PolarHBondContact N-CD2 3Å; G742-H780 VanDerWaalsContact N-CD2 3.26Å; G742-H780 PolarHBondContact N-NE2 3.38Å; A775-H780 PolarHBondContact O-N 3.47Å; H780-T782 PolarHBondContact O-N 2.88Å; H780-C783 HydrophobicContact CB-CB 4.05Å; H780-C783 WeakPolarHBondContact O-CB 3.29Å; H780-C783 PolarHBondContact O-N 3.33Å; H780-V784 WeakPolarHBondContact O-CG2 3.44Å; H780-V784 PolarHBondContact O-N 3.22Å | ||
| 781 | D | 91.1 | Very high | 89.1 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 31% | 0.31 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -54.4 | -46.3 | -172.1 | -59.3 | -26.4 | 0 | 0 | 0 | 113.2 | G779 C783 V784 E785 A814 A815 M818 | G779-D781 PolarHBondContact O-N 3.22Å; D781-C783 VanDerWaalsContact C-N 3.29Å; D781-C783 PolarHBondContact O-N 3.19Å; D781-V784 WeakPolarHBondContact O-CA 3.5Å; D781-V784 WeakPolarHBondContact O-CB 3.42Å; D781-V784 PolarHBondContact O-N 2.87Å; D781-E785 PolarHBondContact O-N 3.35Å; D781-A814 WeakPolarHBondContact OD2-CB 3.32Å; D781-A815 WeakPolarHBondContact OD1-CB 3.31Å; D781-A815 PolarHBondContact OD1-N 3.32Å; D781-M818 HydrophobicContact CB-CE 3.56Å; D781-M818 WeakPolarHBondContact O-CE 3.33Å |
| 782 | T | 91.8 | Very high | 88.3 | Confident | 70 Ų | 70 | 48.8 Ų | 48.8 | 43% | 0.429 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.8 | -32.6 | 179 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | H780 V786 | H780-T782 PolarHBondContact O-N 2.88Å; T782-V786 WeakPolarHBondContact O-CG2 3.37Å; T782-V786 PolarHBondContact O-N 3.4Å |
| 783 | C | 92 | Very high | 87.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72.6 | -33.9 | 172 | -69.5 | 0 | 0 | 0 | 0 | 111.8 | G742 L747 A775 H780 D781 L787 | G742-C783 VanDerWaalsContact C-SG 3.54Å; L747-C783 HydrophobicContact CD2-CB 3.72Å; A775-C783 HydrophobicContact CB-CB 4.18Å; H780-C783 HydrophobicContact CB-CB 4.05Å; H780-C783 WeakPolarHBondContact O-CB 3.29Å; H780-C783 PolarHBondContact O-N 3.33Å; D781-C783 VanDerWaalsContact C-N 3.29Å; D781-C783 PolarHBondContact O-N 3.19Å; C783-L787 WeakPolarHBondContact O-CB 3.49Å; C783-L787 WeakPolarHBondContact O-CD1 3.39Å; C783-L787 WeakPolarHBondContact O-CG 3.49Å; C783-L787 PolarHBondContact O-N 2.94Å |
| 784 | V | 90.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 174.1 | 172.1 | 0 | 0 | 0 | 0 | 109.9 | L772 A775 H780 D781 L787 L788 A815 M818 L819 | L772-V784 HydrophobicContact CD1-CB 4.44Å; L772-V784 HydrophobicContact CD1-CG1 4.03Å; L772-V784 HydrophobicContact CD1-CG2 4.38Å; A775-V784 HydrophobicContact CB-CG2 3.78Å; H780-V784 WeakPolarHBondContact O-CG2 3.44Å; H780-V784 PolarHBondContact O-N 3.22Å; D781-V784 WeakPolarHBondContact O-CA 3.5Å; D781-V784 WeakPolarHBondContact O-CB 3.42Å; D781-V784 PolarHBondContact O-N 2.87Å; V784-L787 PolarHBondContact O-N 3.2Å; V784-L788 HydrophobicContact CG1-CD1 3.56Å; V784-L788 HydrophobicContact CG1-CG 4.24Å; V784-L788 WeakPolarHBondContact O-CB 3.43Å; V784-L788 VanDerWaalsContact O-CG 3.23Å; V784-L788 WeakPolarHBondContact O-CG 3.24Å; V784-L788 PolarHBondContact O-N 3.4Å; V784-A815 HydrophobicContact CG2-CB 4.25Å; V784-M818 HydrophobicContact CB-CE 4.15Å; V784-M818 HydrophobicContact CG1-CE 4.13Å; V784-L819 HydrophobicContact CG1-CG 4.47Å |
| 785 | E | 90.2 | Very high | 85.5 | Confident | 111 Ų | 111 | 56.2 Ų | 56.2 | 52% | 0.519 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -54.8 | -55.8 | 176.3 | -174.1 | 178.2 | -163.4 | 0 | 0 | 111.8 | D781 L787 L788 E789 M818 | D781-E785 PolarHBondContact O-N 3.35Å; E785-L787 VanDerWaalsContact C-N 3.31Å; E785-L787 PolarHBondContact O-N 3.04Å; E785-L788 PolarHBondContact O-N 3.03Å; E785-L788 VanDerWaalsContact O-N 3.09Å; E785-E789 PolarHBondContact O-N 2.82Å; E785-M818 HydrophobicContact CB-SD 4.25Å |
| 786 | V | 89.1 | Confident | 83.9 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.9 | -36.5 | 179.9 | 173.6 | 0 | 0 | 0 | 0 | 112.5 | I744 L751 T782 | I744-V786 HydrophobicContact CD1-CG2 3.67Å; I744-V786 HydrophobicContact CG1-CG2 4.09Å; L751-V786 HydrophobicContact CD1-CG1 3.94Å; T782-V786 WeakPolarHBondContact O-CG2 3.37Å; T782-V786 PolarHBondContact O-N 3.4Å |
| 787 | L | 88.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.6 | -36.1 | 176.3 | -72.9 | 169.3 | 0 | 0 | 0 | 111.7 | A739 L747 L751 P771 L772 A775 C783 V784 E785 E789 L790 F793 | A739-L787 HydrophobicContact CB-CD1 4.1Å; L747-L787 HydrophobicContact CD1-CD2 4.33Å; L747-L787 HydrophobicContact CD2-CD1 4.39Å; L747-L787 HydrophobicContact CD2-CD2 4.42Å; L747-L787 HydrophobicContact CD2-CG 4.12Å; L751-L787 HydrophobicContact CD1-CD2 4.09Å; L751-L787 HydrophobicContact CD2-CD2 4.43Å; P771-L787 HydrophobicContact CB-CD1 4.26Å; P771-L787 HydrophobicContact CB-CD2 4.36Å; L772-L787 HydrophobicContact CB-CD1 4.38Å; L772-L787 HydrophobicContact CD1-CB 4.06Å; L772-L787 HydrophobicContact CD1-CD1 4.33Å; A775-L787 HydrophobicContact CB-CD1 4.1Å; C783-L787 WeakPolarHBondContact O-CB 3.49Å; C783-L787 WeakPolarHBondContact O-CD1 3.39Å; C783-L787 WeakPolarHBondContact O-CG 3.49Å; C783-L787 PolarHBondContact O-N 2.94Å; V784-L787 PolarHBondContact O-N 3.2Å; E785-L787 VanDerWaalsContact C-N 3.31Å; E785-L787 PolarHBondContact O-N 3.04Å; L787-E789 VanDerWaalsContact C-N 3.27Å; L787-E789 PolarHBondContact O-N 3.44Å; L787-L790 PolarHBondContact O-N 3.33Å; L787-F793 HydrophobicContact CB-CD2 4.22Å; L787-F793 HydrophobicContact CD2-CD2 3.99Å; L787-F793 HydrophobicContact CD2-CE2 3.46Å; L787-F793 VanDerWaalsContact CD2-CE2 3.46Å; L787-F793 HydrophobicContact CD2-CZ 3.82Å; L787-F793 WeakPolarHBondContact O-CD2 3.38Å |
| 788 | L | 86.6 | Confident | 81.3 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -72.3 | -17.9 | 178.7 | -72.1 | 169.3 | 0 | 0 | 0 | 113.3 | L772 V784 E785 L790 H794 M818 L819 T822 L823 | L772-L788 HydrophobicContact CD1-CD2 4.43Å; L772-L788 HydrophobicContact CD1-CG 4.32Å; L772-L788 HydrophobicContact CD2-CD2 4Å; V784-L788 HydrophobicContact CG1-CD1 3.56Å; V784-L788 HydrophobicContact CG1-CG 4.24Å; V784-L788 WeakPolarHBondContact O-CB 3.43Å; V784-L788 VanDerWaalsContact O-CG 3.23Å; V784-L788 WeakPolarHBondContact O-CG 3.24Å; V784-L788 PolarHBondContact O-N 3.4Å; E785-L788 PolarHBondContact O-N 3.03Å; E785-L788 VanDerWaalsContact O-N 3.09Å; L788-L790 PolarHBondContact O-N 2.98Å; L788-H794 PolarHBondContact O-CE1 3.34Å; L788-M818 HydrophobicContact CD1-CB 4.39Å; L788-L819 HydrophobicContact CD1-CD2 4.16Å; L788-L819 HydrophobicContact CD2-CD2 3.98Å; L788-T822 HydrophobicContact CB-CG2 4.46Å; L788-T822 HydrophobicContact CD1-CG2 4.19Å; L788-T822 WeakPolarHBondContact CD1-OG1 3.49Å; L788-L823 HydrophobicContact CD2-CD1 4.29Å; L788-L823 HydrophobicContact CD2-CD2 4.28Å; L788-L823 HydrophobicContact CD2-CG 4.25Å |
| 789 | E | 84.4 | Confident | 80.8 | Confident | 149 Ų | 149 | 62.6 Ų | 62.6 | 70% | 0.696 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -20.8 | 169.9 | -66.3 | -175.3 | 162.3 | 0 | 0 | 112.8 | E785 L787 | E785-E789 PolarHBondContact O-N 2.82Å; L787-E789 VanDerWaalsContact C-N 3.27Å; L787-E789 PolarHBondContact O-N 3.44Å |
| 790 | L | 80.6 | Confident | 80.3 | Confident | 33 Ų | 33 | 66 Ų | 66 | 17% | 0.173 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -96.9 | 125.4 | -176.5 | -57.6 | 173.3 | 0 | 0 | 0 | 112.1 | L751 Q755 L787 L788 I792 F793 H794 | L751-L790 HydrophobicContact CB-CD1 4.45Å; L751-L790 HydrophobicContact CD1-CD1 3.96Å; L751-L790 HydrophobicContact CD2-CD1 3.74Å; L751-L790 HydrophobicContact CG-CD1 4.26Å; Q755-L790 VanDerWaalsContact NE2-CD2 3.35Å; L787-L790 PolarHBondContact O-N 3.33Å; L788-L790 PolarHBondContact O-N 2.98Å; L790-I792 HydrophobicContact CB-CG1 3.97Å; L790-I792 PolarHBondContact O-N 3.17Å; L790-F793 HydrophobicContact CB-CD2 4Å; L790-F793 HydrophobicContact CB-CE2 4.42Å; L790-F793 HydrophobicContact CD1-CD2 4.32Å; L790-F793 HydrophobicContact CD1-CE2 3.96Å; L790-F793 PolarHBondContact O-N 3Å; L790-F793 VanDerWaalsContact O-N 3.09Å; L790-H794 PolarHBondContact O-ND1 3.05Å |
| 791 | E | 73.4 | Confident | 80 | Confident | 169 Ų | 169 | 65 Ų | 65 | 79% | 0.79 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -57 | -27.2 | -180 | -66.5 | -172.1 | 174.5 | 0 | 0 | 113.8 | F793 H794 | E791-F793 PolarHBondContact O-N 2.87Å; E791-H794 WeakPolarHBondContact CA-ND1 3.5Å; E791-H794 WeakPolarHBondContact O-CB 3.43Å; E791-H794 PolarHBondContact O-N 3.39Å |
| 792 | I | 73.1 | Confident | 79.8 | Confident | 82 Ų | 82 | 62.6 Ų | 62.6 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -62.6 | -27 | 179.3 | 60.6 | 171.2 | 0 | 0 | 0 | 113.3 | L763 L790 | L763-I792 HydrophobicContact CD1-CD1 4.09Å; L790-I792 HydrophobicContact CB-CG1 3.97Å; L790-I792 PolarHBondContact O-N 3.17Å |
| 793 | F | 75.1 | Confident | 79.7 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -92.7 | -4.1 | -179.2 | -64.7 | -63 | 0 | 0 | 0 | 113.2 | L751 L763 P771 L772 L787 L790 E791 | L751-F793 HydrophobicContact CD2-CE2 4.44Å; L763-F793 HydrophobicContact CB-CE1 4.47Å; L763-F793 HydrophobicContact CD1-CE1 4.27Å; L763-F793 HydrophobicContact CD1-CZ 3.75Å; P771-F793 HydrophobicContact CG-CE1 4.28Å; P771-F793 HydrophobicContact CG-CZ 4.35Å; L772-F793 HydrophobicContact CB-CD1 4.42Å; L772-F793 HydrophobicContact CD2-CB 4.2Å; L787-F793 HydrophobicContact CB-CD2 4.22Å; L787-F793 HydrophobicContact CD2-CD2 3.99Å; L787-F793 HydrophobicContact CD2-CE2 3.46Å; L787-F793 VanDerWaalsContact CD2-CE2 3.46Å; L787-F793 HydrophobicContact CD2-CZ 3.82Å; L787-F793 WeakPolarHBondContact O-CD2 3.38Å; L790-F793 HydrophobicContact CB-CD2 4Å; L790-F793 HydrophobicContact CB-CE2 4.42Å; L790-F793 HydrophobicContact CD1-CD2 4.32Å; L790-F793 HydrophobicContact CD1-CE2 3.96Å; L790-F793 PolarHBondContact O-N 3Å; L790-F793 VanDerWaalsContact O-N 3.09Å; E791-F793 PolarHBondContact O-N 2.87Å |
| 794 | H | 72.2 | Confident | 79.6 | Confident | 82 Ų | 82 | 59.7 Ų | 59.7 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -26.4 | 175.3 | -68.2 | 70.4 | 0 | 0 | 0 | 112.8 | L788 L790 E791 L823 | L788-H794 PolarHBondContact O-CE1 3.34Å; L790-H794 PolarHBondContact O-ND1 3.05Å; E791-H794 WeakPolarHBondContact CA-ND1 3.5Å; E791-H794 WeakPolarHBondContact O-CB 3.43Å; E791-H794 PolarHBondContact O-N 3.39Å; H794-L823 HydrophobicContact CB-CD2 3.96Å |
| 795 | K | 64.6 | Low | 79.6 | Confident | 142 Ų | 142 | 59.7 Ų | 59.7 | 62% | 0.617 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -86 | 115.8 | 172.6 | -63.3 | -177.3 | -176.6 | 174.8 | 0 | 108.3 | E797 | K795-E797 HydrophobicContact CB-CG 4.07Å; K795-E797 PolarHBondContact O-N 3.43Å |
| 796 | A | 60 | Low | 79.6 | Confident | 78 Ų | 78 | 54.8 Ų | 54.8 | 65% | 0.645 | 30% | 0.297 | S | S | * | . | trans | -72 | 66.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 797 | E | 60.8 | Low | 79.8 | Confident | 124 Ų | 124 | 53.4 Ų | 53.4 | 58% | 0.579 | 29% | 0.288 | S | S | * | . | trans | -93 | 127.1 | 176.1 | -74 | -180 | -166.5 | 0 | 0 | 109.8 | K795 | K795-E797 HydrophobicContact CB-CG 4.07Å; K795-E797 PolarHBondContact O-N 3.43Å | ||
| 798 | G | 68.6 | Low | 80 | Confident | 59 Ų | 59 | 53.4 Ų | 53.4 | 61% | 0.608 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 128.4 | -100.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 799 | N | 79.5 | Confident | 80.1 | Confident | 35 Ų | 35 | 55.2 Ų | 55.2 | 19% | 0.187 | 30% | 0.298 | C | S | . | . | trans | -85.2 | 142.3 | -177.8 | -160.5 | -28.7 | 0 | 0 | 0 | 112.1 | Q767 G768 Y769 F801 | Q767-N799 PolarHBondContact O-ND2 3.48Å; G768-N799 WeakPolarHBondContact O-CB 3.29Å; G768-N799 PolarHBondContact O-N 2.99Å; G768-N799 VanDerWaalsContact O-N 3.13Å; Y769-N799 HydrophobicContact CD1-CB 4.4Å; Y769-N799 HydrophobicContact CE1-CB 4.47Å; Y769-N799 WeakPolarHBondContact CE1-ND2 3.46Å; Y769-N799 PolarHBondContact OH-ND2 3.13Å; N799-F801 PolarHBondContact O-N 2.88Å; N799-F801 PolarHBondContact OD1-N 3.23Å | ||
| 800 | T | 81.3 | Confident | 80.4 | Confident | 89 Ų | 89 | 53.6 Ų | 53.6 | 55% | 0.546 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -64.4 | -23.8 | 171.1 | 61.3 | 0 | 0 | 0 | 0 | 113 | S802 D832 G833 | T800-S802 PolarHBondContact O-N 3.28Å; T800-D832 WeakPolarHBondContact O-CA 3.14Å; T800-G833 PolarHBondContact OG1-N 3.08Å |
| 801 | F | 85.9 | Confident | 80.8 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -83 | 105.7 | 178.6 | -160.9 | -98.7 | 0 | 0 | 0 | 110.3 | Y769 H773 N799 H805 I809 D832 | Y769-F801 HydrophobicContact CE1-CB 4.49Å; Y769-F801 HydrophobicContact CE1-CD1 4.46Å; H773-F801 PolarHBondContact CD2-O 3.41Å; H773-F801 VanDerWaalsContact CD2-O 3.25Å; H773-F801 PolarHBondContact NE2-O 2.98Å; N799-F801 PolarHBondContact O-N 2.88Å; N799-F801 PolarHBondContact OD1-N 3.23Å; F801-H805 HydrophobicContact CD1-CB 3.8Å; F801-H805 HydrophobicContact CD2-CB 4.11Å; F801-H805 HydrophobicContact CE1-CB 3.31Å; F801-H805 HydrophobicContact CE2-CB 3.64Å; F801-H805 HydrophobicContact CG-CB 4.18Å; F801-H805 HydrophobicContact CZ-CB 3.22Å; F801-I809 HydrophobicContact CE1-CD1 4.25Å; F801-I809 HydrophobicContact CE2-CD1 4.39Å; F801-I809 HydrophobicContact CZ-CD1 3.48Å; F801-I809 VanDerWaalsContact CZ-CD1 3.48Å; F801-I809 HydrophobicContact CZ-CG1 4.34Å; F801-D832 HydrophobicContact CD2-CB 3.92Å |
| 802 | S | 88.6 | Confident | 81.6 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | trans | -71.2 | 159.5 | -171.2 | 78.7 | 0 | 0 | 0 | 0 | 113.6 | T800 L804 H805 C806 | T800-S802 PolarHBondContact O-N 3.28Å; S802-L804 PolarHBondContact O-N 3.24Å; S802-H805 PolarHBondContact N-ND1 3.04Å; S802-H805 WeakPolarHBondContact O-CB 3.46Å; S802-H805 PolarHBondContact O-N 3.43Å; S802-H805 PolarHBondContact OG-ND1 3.17Å; S802-C806 PolarHBondContact O-N 3.34Å | ||
| 803 | P | 89.1 | Confident | 82.4 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.8 | -33.6 | 175.6 | -24.5 | 33.5 | 0 | 0 | 0 | 113.4 | L772 H773 H805 C806 A807 L819 | L772-P803 HydrophobicContact CD2-CB 4.2Å; L772-P803 HydrophobicContact CD2-CG 3.95Å; L772-P803 HydrophobicContact CG-CB 4.05Å; L772-P803 HydrophobicContact CG-CG 4.15Å; H773-P803 WeakPolarHBondContact NE2-CD 3.48Å; P803-H805 VanDerWaalsContact C-N 3.34Å; P803-H805 PolarHBondContact O-N 3.1Å; P803-C806 WeakPolarHBondContact O-CB 3.35Å; P803-C806 PolarHBondContact O-N 3.45Å; P803-C806 VanDerWaalsContact O-N 3.09Å; P803-A807 PolarHBondContact O-N 2.89Å; P803-L819 HydrophobicContact CB-CD1 4.15Å; P803-L819 HydrophobicContact CB-CD2 4.29Å |
| 804 | L | 90.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 175.6 | -177.7 | 61.3 | 0 | 0 | 0 | 111.8 | S802 C806 A807 V808 A816 L819 I820 I827 V828 P838 L854 | S802-L804 PolarHBondContact O-N 3.24Å; L804-C806 VanDerWaalsContact C-N 3.26Å; L804-C806 PolarHBondContact O-N 3.2Å; L804-A807 PolarHBondContact O-N 2.93Å; L804-V808 HydrophobicContact CD1-CG2 3.93Å; L804-V808 HydrophobicContact CG-CG2 4.22Å; L804-V808 WeakPolarHBondContact O-CB 3.49Å; L804-V808 WeakPolarHBondContact O-CG2 3.42Å; L804-V808 PolarHBondContact O-N 2.91Å; L804-A816 HydrophobicContact CD1-CB 3.61Å; L804-L819 HydrophobicContact CB-CD1 4.21Å; L804-L819 HydrophobicContact CD1-CD1 4.33Å; L804-I820 HydrophobicContact CD1-CD1 4.33Å; L804-I820 HydrophobicContact CD1-CG1 4.27Å; L804-I820 HydrophobicContact CD2-CD1 4.4Å; L804-I820 HydrophobicContact CD2-CG1 4.1Å; L804-I827 HydrophobicContact CB-CD1 3.79Å; L804-I827 HydrophobicContact CB-CG1 3.79Å; L804-I827 HydrophobicContact CD2-CB 4.45Å; L804-I827 HydrophobicContact CD2-CG1 4.05Å; L804-I827 HydrophobicContact CD2-CG2 3.91Å; L804-V828 HydrophobicContact CD2-CG2 4.39Å; L804-P838 HydrophobicContact CB-CG 4.39Å; L804-P838 HydrophobicContact CD2-CB 4.03Å; L804-P838 HydrophobicContact CD2-CG 3.75Å; L804-P838 HydrophobicContact CG-CB 4Å; L804-P838 HydrophobicContact CG-CG 3.95Å; L804-L854 HydrophobicContact CD2-CD2 4.02Å |
| 805 | H | 90.5 | Very high | 84 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -36.3 | 173.1 | -66.1 | 87.8 | 0 | 0 | 0 | 111.6 | F801 S802 P803 I809 A830 R836 P838 | F801-H805 HydrophobicContact CD1-CB 3.8Å; F801-H805 HydrophobicContact CD2-CB 4.11Å; F801-H805 HydrophobicContact CE1-CB 3.31Å; F801-H805 HydrophobicContact CE2-CB 3.64Å; F801-H805 HydrophobicContact CG-CB 4.18Å; F801-H805 HydrophobicContact CZ-CB 3.22Å; S802-H805 PolarHBondContact N-ND1 3.04Å; S802-H805 WeakPolarHBondContact O-CB 3.46Å; S802-H805 PolarHBondContact O-N 3.43Å; S802-H805 PolarHBondContact OG-ND1 3.17Å; P803-H805 VanDerWaalsContact C-N 3.34Å; P803-H805 PolarHBondContact O-N 3.1Å; H805-I809 WeakPolarHBondContact O-CB 3.2Å; H805-I809 WeakPolarHBondContact O-CG1 3.41Å; H805-I809 PolarHBondContact O-N 3.14Å; H805-A830 PolarHBondContact CE1-O 3.37Å; H805-R836 PolarHBondContact NE2-O 3.24Å; H805-R836 VanDerWaalsContact NE2-O 3.11Å; H805-P838 WeakPolarHBondContact NE2-CD 3.39Å |
| 806 | C | 90.6 | Very high | 85.3 | Confident | 7 Ų | 7 | 39 Ų | 39 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.7 | -44.8 | 175.7 | -70.3 | 0 | 0 | 0 | 0 | 112.7 | C776 Y777 S802 P803 L804 | C776-C806 HydrophobicContact CB-CB 4.29Å; Y777-C806 HydrophobicContact CD2-CB 4.4Å; S802-C806 PolarHBondContact O-N 3.34Å; P803-C806 WeakPolarHBondContact O-CB 3.35Å; P803-C806 PolarHBondContact O-N 3.45Å; P803-C806 VanDerWaalsContact O-N 3.09Å; L804-C806 VanDerWaalsContact C-N 3.26Å; L804-C806 PolarHBondContact O-N 3.2Å |
| 807 | A | 91.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.8 | -48 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | C776 P803 L804 I809 R810 D811 N812 A815 A816 L819 | C776-A807 HydrophobicContact CB-CB 4.1Å; C776-A807 WeakPolarHBondContact O-CA 3.48Å; P803-A807 PolarHBondContact O-N 2.89Å; L804-A807 PolarHBondContact O-N 2.93Å; A807-I809 PolarHBondContact O-N 3.4Å; A807-R810 PolarHBondContact O-N 3.18Å; A807-D811 PolarHBondContact O-N 3.14Å; A807-N812 HydrophobicContact CB-CB 4.38Å; A807-N812 PolarHBondContact O-N 3.48Å; A807-A815 HydrophobicContact CB-CB 4.24Å; A807-A816 HydrophobicContact CB-CB 4.15Å; A807-L819 HydrophobicContact CB-CD1 4.38Å |
| 808 | V | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.2 | -38 | -176.7 | 169.8 | 0 | 0 | 0 | 0 | 112.6 | L804 R810 D811 A816 P838 A841 A842 H847 C850 L854 | L804-V808 HydrophobicContact CD1-CG2 3.93Å; L804-V808 HydrophobicContact CG-CG2 4.22Å; L804-V808 WeakPolarHBondContact O-CB 3.49Å; L804-V808 WeakPolarHBondContact O-CG2 3.42Å; L804-V808 PolarHBondContact O-N 2.91Å; V808-R810 PolarHBondContact O-N 3.4Å; V808-D811 PolarHBondContact O-N 3.15Å; V808-A816 HydrophobicContact CG2-CB 4.36Å; V808-P838 WeakPolarHBondContact CG1-O 3.39Å; V808-P838 HydrophobicContact CG2-CB 4.39Å; V808-A841 HydrophobicContact CG1-CB 4.33Å; V808-A842 HydrophobicContact CG1-CB 3.37Å; V808-H847 PolarHBondContact O-CD2 3.16Å; V808-H847 VanDerWaalsContact O-CD2 3.28Å; V808-C850 HydrophobicContact CG1-CB 4.22Å; V808-C850 HydrophobicContact CG2-CB 4.47Å; V808-L854 HydrophobicContact CG1-CD1 4.22Å; V808-L854 HydrophobicContact CG2-CD1 4.09Å |
| 809 | I | 90.1 | Very high | 89.1 | Confident | 49 Ų | 49 | 33 Ų | 33 | 25% | 0.251 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.3 | -25.5 | 177 | -81.2 | -169.2 | 0 | 0 | 0 | 112.8 | Y777 F801 H805 A807 A841 H847 | Y777-I809 HydrophobicContact CE2-CG2 4.48Å; F801-I809 HydrophobicContact CE1-CD1 4.25Å; F801-I809 HydrophobicContact CE2-CD1 4.39Å; F801-I809 HydrophobicContact CZ-CD1 3.48Å; F801-I809 VanDerWaalsContact CZ-CD1 3.48Å; F801-I809 HydrophobicContact CZ-CG1 4.34Å; H805-I809 WeakPolarHBondContact O-CB 3.2Å; H805-I809 WeakPolarHBondContact O-CG1 3.41Å; H805-I809 PolarHBondContact O-N 3.14Å; A807-I809 PolarHBondContact O-N 3.4Å; I809-A841 HydrophobicContact CD1-CB 4.43Å; I809-A841 HydrophobicContact CG1-CB 3.86Å; I809-H847 PolarHBondContact O-NE2 2.88Å |
| 810 | R | 89 | Confident | 89.6 | Confident | 114 Ų | 114 | 31.6 Ų | 31.6 | 43% | 0.43 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 8.8 | -176.1 | -63.6 | -58.8 | -55.7 | -79.4 | -1.6 | 113.3 | Y777 A807 V808 N812 | Y777-R810 HydrophobicContact CD2-CG 3.68Å; Y777-R810 HydrophobicContact CE1-CG 4.48Å; Y777-R810 HydrophobicContact CE2-CG 3.6Å; Y777-R810 HydrophobicContact CG-CG 4.16Å; Y777-R810 VanDerWaalsContact CZ-NH1 3.34Å; Y777-R810 WeakPolarHBondContact O-CB 3.39Å; Y777-R810 VanDerWaalsContact O-CG 3.31Å; Y777-R810 WeakPolarHBondContact O-CG 3.45Å; Y777-R810 PolarHBondContact OH-NH1 3.5Å; A807-R810 PolarHBondContact O-N 3.18Å; V808-R810 PolarHBondContact O-N 3.4Å; R810-N812 VanDerWaalsContact C-N 3.35Å |
| 811 | D | 88.9 | Confident | 89.9 | Confident | 57 Ų | 57 | 32.5 Ų | 32.5 | 31% | 0.305 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 34.3 | 179.7 | -145.6 | 6.3 | 0 | 0 | 0 | 115.1 | A807 V808 E813 H847 C850 | A807-D811 PolarHBondContact O-N 3.14Å; V808-D811 PolarHBondContact O-N 3.15Å; D811-E813 PolarHBondContact O-N 3Å; D811-E813 VanDerWaalsContact O-N 3.16Å; D811-H847 HydrophobicContact CB-CB 4.25Å; D811-H847 WeakPolarHBondContact CB-ND1 3.3Å; D811-H847 WeakPolarHBondContact OD1-CB 3.43Å; D811-H847 IonicContact OD1-CG 3.25Å; D811-H847 IonicContact OD1-ND1 3.74Å; D811-H847 IonicContact OD2-CE1 2.79Å; D811-H847 IonicContact OD2-CG 3.83Å; D811-H847 IonicContact OD2-ND1 3.61Å; D811-H847 PolarHBondContact OD2-ND1 3.31Å; D811-C850 PolarHBondContact OD1-SG 3.36Å |
| 812 | N | 91.4 | Very high | 90 | Very high | 33 Ų | 33 | 34.3 Ų | 34.3 | 18% | 0.176 | 18% | 0.177 | C | C | . | . | trans | -89.3 | 80 | 179.4 | -60 | -40.3 | 0 | 0 | 0 | 109.6 | C776 G779 A807 R810 A815 A816 | C776-N812 PolarHBondContact O-ND2 3.01Å; G779-N812 WeakPolarHBondContact CA-ND2 3.46Å; G779-N812 WeakPolarHBondContact CA-OD1 2.92Å; G779-N812 PolarHBondContact N-ND2 3.1Å; G779-N812 VanDerWaalsContact N-ND2 3.16Å; A807-N812 HydrophobicContact CB-CB 4.38Å; A807-N812 PolarHBondContact O-N 3.48Å; R810-N812 VanDerWaalsContact C-N 3.35Å; N812-A815 HydrophobicContact CB-CB 4.01Å; N812-A815 PolarHBondContact O-N 3.21Å; N812-A816 WeakPolarHBondContact O-CB 3.45Å; N812-A816 PolarHBondContact O-N 3.45Å | ||
| 813 | E | 90.6 | Very high | 89.7 | Confident | 88 Ų | 88 | 35.9 Ų | 35.9 | 41% | 0.411 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57.8 | -49.7 | -177.2 | -173.5 | -175.4 | -179.2 | 0 | 0 | 112.4 | D811 A815 A816 E817 L853 | D811-E813 PolarHBondContact O-N 3Å; D811-E813 VanDerWaalsContact O-N 3.16Å; E813-A815 PolarHBondContact O-N 2.87Å; E813-A816 CarbonylContact O-C 3.53Å; E813-A816 WeakPolarHBondContact O-CA 3.14Å; E813-A816 WeakPolarHBondContact O-CB 3.25Å; E813-A816 PolarHBondContact O-N 2.89Å; E813-E817 WeakPolarHBondContact O-CB 3.38Å; E813-E817 PolarHBondContact O-N 3.46Å; E813-L853 HydrophobicContact CG-CD2 4Å |
| 814 | A | 90.4 | Very high | 89.4 | Confident | 39 Ų | 39 | 36.4 Ų | 36.4 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.3 | -44.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D781 A816 E817 M818 | D781-A814 WeakPolarHBondContact OD2-CB 3.32Å; A814-A816 VanDerWaalsContact C-N 3.3Å; A814-A816 PolarHBondContact O-N 2.98Å; A814-E817 PolarHBondContact O-N 3.16Å; A814-M818 WeakPolarHBondContact O-CE 3.19Å; A814-M818 WeakPolarHBondContact O-CG 3.48Å; A814-M818 PolarHBondContact O-N 3.11Å |
| 815 | A | 90.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -39.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D781 V784 A807 N812 E813 L819 | D781-A815 WeakPolarHBondContact OD1-CB 3.31Å; D781-A815 PolarHBondContact OD1-N 3.32Å; V784-A815 HydrophobicContact CG2-CB 4.25Å; A807-A815 HydrophobicContact CB-CB 4.24Å; N812-A815 HydrophobicContact CB-CB 4.01Å; N812-A815 PolarHBondContact O-N 3.21Å; E813-A815 PolarHBondContact O-N 2.87Å; A815-L819 WeakPolarHBondContact O-CB 3.3Å; A815-L819 WeakPolarHBondContact O-CD1 3.34Å; A815-L819 WeakPolarHBondContact O-CG 3.31Å; A815-L819 PolarHBondContact O-N 3.39Å; A815-L819 VanDerWaalsContact O-N 3.14Å |
| 816 | A | 90.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L804 A807 V808 N812 E813 A814 L819 I820 L853 | L804-A816 HydrophobicContact CD1-CB 3.61Å; A807-A816 HydrophobicContact CB-CB 4.15Å; V808-A816 HydrophobicContact CG2-CB 4.36Å; N812-A816 WeakPolarHBondContact O-CB 3.45Å; N812-A816 PolarHBondContact O-N 3.45Å; E813-A816 CarbonylContact O-C 3.53Å; E813-A816 WeakPolarHBondContact O-CA 3.14Å; E813-A816 WeakPolarHBondContact O-CB 3.25Å; E813-A816 PolarHBondContact O-N 2.89Å; A814-A816 VanDerWaalsContact C-N 3.3Å; A814-A816 PolarHBondContact O-N 2.98Å; A816-L819 PolarHBondContact O-N 3.33Å; A816-I820 WeakPolarHBondContact O-CD1 3.36Å; A816-I820 VanDerWaalsContact O-CG1 3.22Å; A816-I820 WeakPolarHBondContact O-CG1 3.3Å; A816-I820 PolarHBondContact O-N 3.42Å; A816-L853 HydrophobicContact CB-CD2 3.87Å |
| 817 | E | 91.6 | Very high | 88.2 | Confident | 88 Ų | 88 | 45.1 Ų | 45.1 | 41% | 0.411 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.8 | -50.8 | 177.4 | -172.7 | 174.5 | -156.5 | 0 | 0 | 110.6 | E813 A814 L819 I820 D821 L853 | E813-E817 WeakPolarHBondContact O-CB 3.38Å; E813-E817 PolarHBondContact O-N 3.46Å; A814-E817 PolarHBondContact O-N 3.16Å; E817-L819 VanDerWaalsContact C-N 3.3Å; E817-L819 PolarHBondContact O-N 3.09Å; E817-I820 PolarHBondContact O-N 2.78Å; E817-D821 PolarHBondContact O-N 3.18Å; E817-L853 HydrophobicContact CB-CD1 4.29Å; E817-L853 HydrophobicContact CB-CD2 4.05Å; E817-L853 HydrophobicContact CG-CD1 4.28Å |
| 818 | M | 89.4 | Confident | 87.9 | Confident | 47 Ų | 47 | 45.5 Ų | 45.5 | 23% | 0.232 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.1 | -39.3 | 177 | -71.4 | -174.3 | -67.3 | 0 | 0 | 112.9 | D781 V784 E785 L788 A814 T822 | D781-M818 HydrophobicContact CB-CE 3.56Å; D781-M818 WeakPolarHBondContact O-CE 3.33Å; V784-M818 HydrophobicContact CB-CE 4.15Å; V784-M818 HydrophobicContact CG1-CE 4.13Å; E785-M818 HydrophobicContact CB-SD 4.25Å; L788-M818 HydrophobicContact CD1-CB 4.39Å; A814-M818 WeakPolarHBondContact O-CE 3.19Å; A814-M818 WeakPolarHBondContact O-CG 3.48Å; A814-M818 PolarHBondContact O-N 3.11Å; M818-T822 WeakPolarHBondContact O-CB 3.47Å; M818-T822 VanDerWaalsContact O-CG2 3.31Å; M818-T822 WeakPolarHBondContact O-CG2 3.2Å; M818-T822 PolarHBondContact O-N 2.92Å; M818-T822 PolarHBondContact O-OG1 3.29Å |
| 819 | L | 89.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 175.7 | -76.4 | 169.6 | 0 | 0 | 0 | 112.2 | L772 V784 L788 P803 L804 A807 A815 A816 E817 T822 L823 | L772-L819 HydrophobicContact CD1-CD2 4.39Å; L772-L819 HydrophobicContact CD2-CD2 4.06Å; L772-L819 HydrophobicContact CG-CD2 4.45Å; V784-L819 HydrophobicContact CG1-CG 4.47Å; L788-L819 HydrophobicContact CD1-CD2 4.16Å; L788-L819 HydrophobicContact CD2-CD2 3.98Å; P803-L819 HydrophobicContact CB-CD1 4.15Å; P803-L819 HydrophobicContact CB-CD2 4.29Å; L804-L819 HydrophobicContact CB-CD1 4.21Å; L804-L819 HydrophobicContact CD1-CD1 4.33Å; A807-L819 HydrophobicContact CB-CD1 4.38Å; A815-L819 WeakPolarHBondContact O-CB 3.3Å; A815-L819 WeakPolarHBondContact O-CD1 3.34Å; A815-L819 WeakPolarHBondContact O-CG 3.31Å; A815-L819 PolarHBondContact O-N 3.39Å; A815-L819 VanDerWaalsContact O-N 3.14Å; A816-L819 PolarHBondContact O-N 3.33Å; E817-L819 VanDerWaalsContact C-N 3.3Å; E817-L819 PolarHBondContact O-N 3.09Å; L819-T822 PolarHBondContact O-OG1 3.31Å; L819-L823 HydrophobicContact CD2-CD1 3.84Å; L819-L823 VanDerWaalsContact O-CB 3.25Å; L819-L823 WeakPolarHBondContact O-CB 3.43Å; L819-L823 PolarHBondContact O-N 3.2Å |
| 820 | I | 89.4 | Confident | 87.4 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.4 | -41.9 | -179.4 | -67.1 | 166.4 | 0 | 0 | 0 | 110.3 | L804 A816 E817 G824 I827 V828 L853 L854 H857 | L804-I820 HydrophobicContact CD1-CD1 4.33Å; L804-I820 HydrophobicContact CD1-CG1 4.27Å; L804-I820 HydrophobicContact CD2-CD1 4.4Å; L804-I820 HydrophobicContact CD2-CG1 4.1Å; A816-I820 WeakPolarHBondContact O-CD1 3.36Å; A816-I820 VanDerWaalsContact O-CG1 3.22Å; A816-I820 WeakPolarHBondContact O-CG1 3.3Å; A816-I820 PolarHBondContact O-N 3.42Å; E817-I820 PolarHBondContact O-N 2.78Å; I820-G824 CarbonylContact O-C 3.39Å; I820-G824 WeakPolarHBondContact O-CA 3.32Å; I820-G824 PolarHBondContact O-N 3Å; I820-I827 HydrophobicContact CG1-CG2 4.26Å; I820-V828 HydrophobicContact CD1-CG2 3.94Å; I820-V828 HydrophobicContact CG1-CG2 3.78Å; I820-V828 HydrophobicContact CG2-CG2 4.03Å; I820-L853 HydrophobicContact CD1-CD2 4.4Å; I820-L853 HydrophobicContact CD1-CG 4.42Å; I820-L854 HydrophobicContact CD1-CD2 4.15Å; I820-H857 HydrophobicContact CG2-CB 4.05Å; I820-H857 WeakPolarHBondContact CG2-ND1 3.19Å |
| 821 | D | 88.3 | Confident | 87.3 | Confident | 108 Ų | 108 | 47.8 Ų | 47.8 | 58% | 0.578 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66 | -40.1 | 179.4 | -77.6 | -12 | 0 | 0 | 0 | 112.4 | E817 H857 | E817-D821 PolarHBondContact O-N 3.18Å; D821-H857 IonicContact OD1-CE1 2.92Å |
| 822 | T | 86.8 | Confident | 87.2 | Confident | 69 Ų | 69 | 45.6 Ų | 45.6 | 42% | 0.423 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -83.8 | -45.4 | -176.8 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | L788 M818 L819 | L788-T822 HydrophobicContact CB-CG2 4.46Å; L788-T822 HydrophobicContact CD1-CG2 4.19Å; L788-T822 WeakPolarHBondContact CD1-OG1 3.49Å; M818-T822 WeakPolarHBondContact O-CB 3.47Å; M818-T822 VanDerWaalsContact O-CG2 3.31Å; M818-T822 WeakPolarHBondContact O-CG2 3.2Å; M818-T822 PolarHBondContact O-N 2.92Å; M818-T822 PolarHBondContact O-OG1 3.29Å; L819-T822 PolarHBondContact O-OG1 3.31Å |
| 823 | L | 83.8 | Confident | 86.9 | Confident | 41 Ų | 41 | 46.9 Ų | 46.9 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -89.5 | -7.4 | -176.9 | -56 | 175.4 | 0 | 0 | 0 | 112.7 | L788 H794 L819 I827 | L788-L823 HydrophobicContact CD2-CD1 4.29Å; L788-L823 HydrophobicContact CD2-CD2 4.28Å; L788-L823 HydrophobicContact CD2-CG 4.25Å; H794-L823 HydrophobicContact CB-CD2 3.96Å; L819-L823 HydrophobicContact CD2-CD1 3.84Å; L819-L823 VanDerWaalsContact O-CB 3.25Å; L819-L823 WeakPolarHBondContact O-CB 3.43Å; L819-L823 PolarHBondContact O-N 3.2Å; L823-I827 HydrophobicContact CB-CB 4.46Å; L823-I827 HydrophobicContact CB-CD1 4.45Å; L823-I827 HydrophobicContact CB-CG2 4.4Å; L823-I827 HydrophobicContact CD1-CD1 3.52Å |
| 824 | G | 82.6 | Confident | 86.6 | Confident | 20 Ų | 20 | 48.8 Ų | 48.8 | 21% | 0.206 | 30% | 0.296 | C | S | . | . | trans | 75.8 | -178.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I820 A826 I827 | I820-G824 CarbonylContact O-C 3.39Å; I820-G824 WeakPolarHBondContact O-CA 3.32Å; I820-G824 PolarHBondContact O-N 3Å; G824-A826 PolarHBondContact O-N 3.45Å; G824-I827 WeakPolarHBondContact O-CG2 3.42Å; G824-I827 PolarHBondContact O-N 3.45Å | ||
| 825 | P | 78.4 | Confident | 86.5 | Confident | 104 Ų | 104 | 49.1 Ų | 49.1 | 68% | 0.675 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13 | -170.3 | 27.5 | -35.9 | 0 | 0 | 0 | 114.2 | I827 V828 | P825-I827 VanDerWaalsContact C-N 3.26Å; P825-I827 PolarHBondContact O-N 3.18Å; P825-V828 PolarHBondContact O-N 3.23Å |
| 826 | A | 81.4 | Confident | 86.5 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -35.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G824 V828 S829 A830 | G824-A826 PolarHBondContact O-N 3.45Å; A826-V828 VanDerWaalsContact C-N 3.34Å; A826-V828 PolarHBondContact O-N 2.87Å; A826-S829 PolarHBondContact O-N 3.13Å; A826-S829 PolarHBondContact O-OG 3.48Å; A826-A830 PolarHBondContact O-N 3.42Å |
| 827 | I | 85 | Confident | 86.5 | Confident | 18 Ų | 18 | 52.8 Ų | 52.8 | 9% | 0.092 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -69.4 | -29.9 | -178.1 | -164.5 | 166.2 | 0 | 0 | 0 | 113.1 | L804 I820 L823 G824 P825 S829 A830 | L804-I827 HydrophobicContact CB-CD1 3.79Å; L804-I827 HydrophobicContact CB-CG1 3.79Å; L804-I827 HydrophobicContact CD2-CB 4.45Å; L804-I827 HydrophobicContact CD2-CG1 4.05Å; L804-I827 HydrophobicContact CD2-CG2 3.91Å; I820-I827 HydrophobicContact CG1-CG2 4.26Å; L823-I827 HydrophobicContact CB-CB 4.46Å; L823-I827 HydrophobicContact CB-CD1 4.45Å; L823-I827 HydrophobicContact CB-CG2 4.4Å; L823-I827 HydrophobicContact CD1-CD1 3.52Å; G824-I827 WeakPolarHBondContact O-CG2 3.42Å; G824-I827 PolarHBondContact O-N 3.45Å; P825-I827 VanDerWaalsContact C-N 3.26Å; P825-I827 PolarHBondContact O-N 3.18Å; I827-S829 PolarHBondContact O-N 3.31Å; I827-A830 WeakPolarHBondContact O-CB 3.46Å; I827-A830 PolarHBondContact O-N 3.34Å |
| 828 | V | 85.7 | Confident | 86.5 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -63.5 | -30.3 | 175.2 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | L804 I820 P825 A826 P838 L854 H857 A859 | L804-V828 HydrophobicContact CD2-CG2 4.39Å; I820-V828 HydrophobicContact CD1-CG2 3.94Å; I820-V828 HydrophobicContact CG1-CG2 3.78Å; I820-V828 HydrophobicContact CG2-CG2 4.03Å; P825-V828 PolarHBondContact O-N 3.23Å; A826-V828 VanDerWaalsContact C-N 3.34Å; A826-V828 PolarHBondContact O-N 2.87Å; V828-P838 WeakPolarHBondContact O-CD 3.26Å; V828-L854 HydrophobicContact CG1-CD2 4.13Å; V828-H857 HydrophobicContact CG2-CB 4.4Å; V828-A859 HydrophobicContact CG1-CB 3.55Å |
| 829 | S | 85.9 | Confident | 86.6 | Confident | 68 Ų | 68 | 46.4 Ų | 46.4 | 48% | 0.476 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -93.2 | 4 | 175.7 | 71.7 | 0 | 0 | 0 | 0 | 114.2 | A826 I827 K831 | A826-S829 PolarHBondContact O-N 3.13Å; A826-S829 PolarHBondContact O-OG 3.48Å; I827-S829 PolarHBondContact O-N 3.31Å; S829-K831 PolarHBondContact O-N 3.37Å |
| 830 | A | 87.2 | Confident | 86.7 | Confident | 25 Ų | 25 | 46.4 Ų | 46.4 | 21% | 0.207 | 28% | 0.281 | C | S | . | . | trans | -59.4 | 140.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | H805 A826 I827 T837 P838 | H805-A830 PolarHBondContact CE1-O 3.37Å; A826-A830 PolarHBondContact O-N 3.42Å; I827-A830 WeakPolarHBondContact O-CB 3.46Å; I827-A830 PolarHBondContact O-N 3.34Å; A830-T837 WeakPolarHBondContact O-CA 3.28Å; A830-P838 WeakPolarHBondContact O-CD 3.35Å | ||
| 831 | K | 87.1 | Confident | 86.8 | Confident | 118 Ų | 118 | 46.7 Ų | 46.7 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | trans | -115.7 | 129.6 | -179.1 | -73 | -171.9 | -179.4 | -168.8 | 0 | 110.1 | S829 R836 T837 | S829-K831 PolarHBondContact O-N 3.37Å; K831-R836 CarbonylContact C-O 3.59Å; K831-R836 VanDerWaalsContact CA-O 3.32Å; K831-R836 WeakPolarHBondContact CA-O 3.33Å; K831-T837 HydrophobicContact CG-CG2 4.24Å | ||
| 832 | D | 86.8 | Confident | 87 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 6% | 0.059 | 26% | 0.257 | C | S | . | . | trans | -74 | 179.3 | 171.6 | 81 | -6.6 | 0 | 0 | 0 | 112.3 | T800 F801 K834 S835 R836 | T800-D832 WeakPolarHBondContact O-CA 3.14Å; F801-D832 HydrophobicContact CD2-CB 3.92Å; D832-K834 PolarHBondContact O-N 3.41Å; D832-K834 VanDerWaalsContact OD1-C 3.3Å; D832-K834 VanDerWaalsContact OD1-CA 3.31Å; D832-K834 WeakPolarHBondContact OD1-CA 3.39Å; D832-K834 WeakPolarHBondContact OD1-CB 3.48Å; D832-K834 PolarHBondContact OD1-N 2.99Å; D832-S835 WeakPolarHBondContact O-CA 3.44Å; D832-S835 PolarHBondContact O-N 3.19Å; D832-S835 PolarHBondContact OD1-N 3.04Å; D832-R836 PolarHBondContact N-O 3.08Å; D832-R836 WeakPolarHBondContact OD1-CB 3.09Å; D832-R836 PolarHBondContact OD1-N 3.38Å; D832-R836 IonicContact OD1-NE 3.91Å; D832-R836 IonicContact OD2-CZ 2.97Å; D832-R836 IonicContact OD2-NE 2.67Å; D832-R836 PolarHBondContact OD2-NE 3.11Å; D832-R836 IonicContact OD2-NH2 3.85Å; D832-R836 PolarHBondContact OD2-NH2 2.97Å | ||
| 833 | G | 83.3 | Confident | 87.2 | Confident | 61 Ų | 61 | 38.3 Ų | 38.3 | 63% | 0.629 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -11.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | T800 | T800-G833 PolarHBondContact OG1-N 3.08Š|
| 834 | K | 85.6 | Confident | 87.6 | Confident | 127 Ų | 127 | 41 Ų | 41 | 55% | 0.552 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 15.9 | 173.1 | -63.5 | -174.6 | -179.3 | -179 | 0 | 112.5 | D832 R836 A866 | D832-K834 PolarHBondContact O-N 3.41Å; D832-K834 VanDerWaalsContact OD1-C 3.3Å; D832-K834 VanDerWaalsContact OD1-CA 3.31Å; D832-K834 WeakPolarHBondContact OD1-CA 3.39Å; D832-K834 WeakPolarHBondContact OD1-CB 3.48Å; D832-K834 PolarHBondContact OD1-N 2.99Å; K834-R836 HydrophobicContact CB-CG 4.12Å; K834-R836 PolarHBondContact O-N 3.21Å; K834-A866 VanDerWaalsContact O-CB 3.24Å; K834-A866 WeakPolarHBondContact O-CB 3.31Å; K834-A866 PolarHBondContact O-N 3.36Å |
| 835 | S | 87.9 | Confident | 87.9 | Confident | 47 Ų | 47 | 41.5 Ų | 41.5 | 33% | 0.329 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 60.1 | 18.9 | -174.7 | -63.8 | 0 | 0 | 0 | 0 | 115 | D832 | D832-S835 WeakPolarHBondContact O-CA 3.44Å; D832-S835 PolarHBondContact O-N 3.19Å; D832-S835 PolarHBondContact OD1-N 3.04Å |
| 836 | R | 89.9 | Confident | 88.4 | Confident | 68 Ų | 68 | 38 Ų | 38 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | trans | -81.3 | 142.4 | 176.6 | -60.5 | 175.9 | -64.2 | 175.6 | 4.7 | 109.6 | H805 K831 D832 K834 H840 D865 M874 | H805-R836 PolarHBondContact NE2-O 3.24Å; H805-R836 VanDerWaalsContact NE2-O 3.11Å; K831-R836 CarbonylContact C-O 3.59Å; K831-R836 VanDerWaalsContact CA-O 3.32Å; K831-R836 WeakPolarHBondContact CA-O 3.33Å; D832-R836 PolarHBondContact N-O 3.08Å; D832-R836 WeakPolarHBondContact OD1-CB 3.09Å; D832-R836 PolarHBondContact OD1-N 3.38Å; D832-R836 IonicContact OD1-NE 3.91Å; D832-R836 IonicContact OD2-CZ 2.97Å; D832-R836 IonicContact OD2-NE 2.67Å; D832-R836 PolarHBondContact OD2-NE 3.11Å; D832-R836 IonicContact OD2-NH2 3.85Å; D832-R836 PolarHBondContact OD2-NH2 2.97Å; K834-R836 HydrophobicContact CB-CG 4.12Å; K834-R836 PolarHBondContact O-N 3.21Å; R836-H840 HydrophobicContact CB-CB 4.02Å; R836-D865 HydrophobicContact CG-CB 3.68Å; R836-M874 HydrophobicContact CG-CE 4.35Å | ||
| 837 | T | 91.7 | Very high | 88.8 | Confident | 8 Ų | 8 | 36.7 Ų | 36.7 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | trans | -96.2 | 165.5 | 175.1 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | A830 K831 L839 H840 A841 C863 | A830-T837 WeakPolarHBondContact O-CA 3.28Å; K831-T837 HydrophobicContact CG-CG2 4.24Å; T837-L839 PolarHBondContact O-N 3.5Å; T837-L839 VanDerWaalsContact O-N 3.11Å; T837-H840 PolarHBondContact N-ND1 3.31Å; T837-H840 VanDerWaalsContact N-ND1 3.19Å; T837-H840 WeakPolarHBondContact O-CA 3.47Å; T837-H840 VanDerWaalsContact O-CB 3.3Å; T837-H840 WeakPolarHBondContact O-CB 3.38Å; T837-H840 PolarHBondContact O-N 3.08Å; T837-H840 PolarHBondContact OG1-ND1 2.65Å; T837-A841 PolarHBondContact O-N 3.09Å; T837-C863 HydrophobicContact CG2-CB 4.37Å; T837-C863 PolarHBondContact OG1-SG 3.48Å | ||
| 838 | P | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.1 | -31.3 | 172.2 | -26.9 | 34.5 | 0 | 0 | 0 | 112.6 | L804 H805 V808 V828 A830 H840 A841 A842 L854 | L804-P838 HydrophobicContact CB-CG 4.39Å; L804-P838 HydrophobicContact CD2-CB 4.03Å; L804-P838 HydrophobicContact CD2-CG 3.75Å; L804-P838 HydrophobicContact CG-CB 4Å; L804-P838 HydrophobicContact CG-CG 3.95Å; H805-P838 WeakPolarHBondContact NE2-CD 3.39Å; V808-P838 WeakPolarHBondContact CG1-O 3.39Å; V808-P838 HydrophobicContact CG2-CB 4.39Å; V828-P838 WeakPolarHBondContact O-CD 3.26Å; A830-P838 WeakPolarHBondContact O-CD 3.35Å; P838-H840 VanDerWaalsContact C-N 3.33Å; P838-H840 PolarHBondContact O-N 3.26Å; P838-A841 WeakPolarHBondContact O-CA 3.21Å; P838-A841 WeakPolarHBondContact O-CB 3.37Å; P838-A841 PolarHBondContact O-N 3.22Å; P838-A842 PolarHBondContact O-N 3.18Å; P838-L854 HydrophobicContact CB-CD1 4.05Å; P838-L854 HydrophobicContact CB-CD2 4.08Å |
| 839 | L | 91.7 | Very high | 89.2 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.1 | -36.1 | 175.6 | -166 | 70.8 | 0 | 0 | 0 | 112.5 | T837 A841 A843 L851 L854 L855 A859 P871 | T837-L839 PolarHBondContact O-N 3.5Å; T837-L839 VanDerWaalsContact O-N 3.11Å; L839-A841 VanDerWaalsContact C-N 3.34Å; L839-A843 VanDerWaalsContact O-CB 3.27Å; L839-A843 WeakPolarHBondContact O-CB 3.4Å; L839-A843 PolarHBondContact O-N 3.32Å; L839-L851 HydrophobicContact CD1-CD2 3.64Å; L839-L851 HydrophobicContact CG-CD2 4.34Å; L839-L854 HydrophobicContact CB-CD1 4.41Å; L839-L854 HydrophobicContact CD1-CB 3.88Å; L839-L854 HydrophobicContact CD1-CD1 4.18Å; L839-L855 HydrophobicContact CD1-CD2 4.21Å; L839-L855 HydrophobicContact CD1-CG 4.2Å; L839-L855 HydrophobicContact CD2-CD2 4.29Å; L839-A859 HydrophobicContact CB-CB 4.46Å; L839-A859 HydrophobicContact CD1-CB 4.24Å; L839-A859 HydrophobicContact CD2-CB 4.08Å; L839-P871 HydrophobicContact CB-CG 4.36Å; L839-P871 HydrophobicContact CD2-CB 4.33Å; L839-P871 HydrophobicContact CD2-CG 3.88Å; L839-P871 HydrophobicContact CG-CB 4.17Å; L839-P871 HydrophobicContact CG-CG 4.04Å |
| 840 | H | 91.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.7 | -39.4 | 170.9 | -69.4 | 89 | 0 | 0 | 0 | 111.4 | R836 T837 P838 A843 F844 C863 K869 P871 M874 | R836-H840 HydrophobicContact CB-CB 4.02Å; T837-H840 PolarHBondContact N-ND1 3.31Å; T837-H840 VanDerWaalsContact N-ND1 3.19Å; T837-H840 WeakPolarHBondContact O-CA 3.47Å; T837-H840 VanDerWaalsContact O-CB 3.3Å; T837-H840 WeakPolarHBondContact O-CB 3.38Å; T837-H840 PolarHBondContact O-N 3.08Å; T837-H840 PolarHBondContact OG1-ND1 2.65Å; P838-H840 VanDerWaalsContact C-N 3.33Å; P838-H840 PolarHBondContact O-N 3.26Å; H840-A843 PolarHBondContact O-N 2.67Å; H840-F844 WeakPolarHBondContact O-CB 3.43Å; H840-F844 PolarHBondContact O-N 3.42Å; H840-C863 PolarHBondContact CE1-SG 3.27Å; H840-K869 PolarHBondContact NE2-O 3.26Å; H840-P871 WeakPolarHBondContact NE2-CD 3.48Å; H840-M874 HydrophobicContact CB-CE 4.15Å; H840-M874 HydrophobicContact CB-SD 3.86Å |
| 841 | A | 91.3 | Very high | 89.5 | Confident | 10 Ų | 10 | 37 Ų | 37 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -43.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | V808 I809 T837 P838 L839 F844 T845 | V808-A841 HydrophobicContact CG1-CB 4.33Å; I809-A841 HydrophobicContact CD1-CB 4.43Å; I809-A841 HydrophobicContact CG1-CB 3.86Å; T837-A841 PolarHBondContact O-N 3.09Å; P838-A841 WeakPolarHBondContact O-CA 3.21Å; P838-A841 WeakPolarHBondContact O-CB 3.37Å; P838-A841 PolarHBondContact O-N 3.22Å; L839-A841 VanDerWaalsContact C-N 3.34Å; A841-F844 WeakPolarHBondContact O-CB 3.42Å; A841-F844 PolarHBondContact O-N 2.98Å; A841-T845 PolarHBondContact O-N 3.15Å; A841-T845 PolarHBondContact O-OG1 3.49Å |
| 842 | A | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V808 P838 F844 T845 D846 H847 L851 L854 | V808-A842 HydrophobicContact CG1-CB 3.37Å; P838-A842 PolarHBondContact O-N 3.18Å; A842-F844 VanDerWaalsContact C-N 3.26Å; A842-F844 PolarHBondContact O-N 3.22Å; A842-T845 PolarHBondContact O-N 2.99Å; A842-T845 PolarHBondContact O-OG1 3.32Å; A842-D846 PolarHBondContact O-N 3.12Å; A842-D846 VanDerWaalsContact O-N 3.14Å; A842-H847 PolarHBondContact O-N 2.85Å; A842-L851 HydrophobicContact CB-CD2 3.67Å; A842-L851 HydrophobicContact CB-CG 3.62Å; A842-L854 HydrophobicContact CB-CD1 4.15Å |
| 843 | A | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66 | -28.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L839 H840 L851 P871 A875 L887 | L839-A843 VanDerWaalsContact O-CB 3.27Å; L839-A843 WeakPolarHBondContact O-CB 3.4Å; L839-A843 PolarHBondContact O-N 3.32Å; H840-A843 PolarHBondContact O-N 2.67Å; A843-L851 HydrophobicContact CB-CD2 4.37Å; A843-P871 HydrophobicContact CB-CB 3.98Å; A843-P871 VanDerWaalsContact CB-O 3.3Å; A843-P871 WeakPolarHBondContact CB-O 3.48Å; A843-A875 HydrophobicContact CB-CB 4.16Å; A843-A875 WeakPolarHBondContact O-CA 3.48Å; A843-L887 HydrophobicContact CB-CD1 4.24Å |
| 844 | F | 91.7 | Very high | 90.2 | Very high | 98 Ų | 98 | 33.7 Ų | 33.7 | 43% | 0.43 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69.1 | -34.9 | 176.3 | -179.1 | -86.6 | 0 | 0 | 0 | 112.2 | H840 A841 A842 M874 N878 Q880 | H840-F844 WeakPolarHBondContact O-CB 3.43Å; H840-F844 PolarHBondContact O-N 3.42Å; A841-F844 WeakPolarHBondContact O-CB 3.42Å; A841-F844 PolarHBondContact O-N 2.98Å; A842-F844 VanDerWaalsContact C-N 3.26Å; A842-F844 PolarHBondContact O-N 3.22Å; F844-M874 HydrophobicContact CB-CG 4.19Å; F844-M874 HydrophobicContact CB-SD 3.9Å; F844-M874 HydrophobicContact CD2-CG 4.18Å; F844-M874 HydrophobicContact CD2-SD 4.11Å; F844-M874 HydrophobicContact CG-SD 4.49Å; F844-N878 WeakPolarHBondContact CD2-ND2 3.32Å; F844-N878 WeakPolarHBondContact CE2-ND2 3.47Å; F844-N878 WeakPolarHBondContact CG-ND2 3.33Å; F844-N878 PolarHBondContact O-ND2 3.1Å; F844-Q880 PolarHBondContact O-NE2 2.97Å |
| 845 | T | 88.9 | Confident | 90.4 | Very high | 31 Ų | 31 | 29.5 Ų | 29.5 | 19% | 0.19 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -105.8 | -3 | -171.2 | 52.4 | 0 | 0 | 0 | 0 | 115.4 | A841 A842 H847 | A841-T845 PolarHBondContact O-N 3.15Å; A841-T845 PolarHBondContact O-OG1 3.49Å; A842-T845 PolarHBondContact O-N 2.99Å; A842-T845 PolarHBondContact O-OG1 3.32Å; T845-H847 VanDerWaalsContact CB-CD2 3.43Å; T845-H847 WeakPolarHBondContact CB-CD2 3.4Å; T845-H847 WeakPolarHBondContact CB-NE2 3.46Å; T845-H847 PolarHBondContact OG1-CD2 2.92Å; T845-H847 PolarHBondContact OG1-NE2 2.94Å |
| 846 | D | 88.9 | Confident | 90.4 | Very high | 31 Ų | 31 | 31 Ų | 31 | 17% | 0.166 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 27.4 | -177.4 | -151.3 | 41.2 | 0 | 0 | 0 | 115.5 | A842 V848 Q880 N882 A883 | A842-D846 PolarHBondContact O-N 3.12Å; A842-D846 VanDerWaalsContact O-N 3.14Å; D846-V848 PolarHBondContact O-N 3.44Å; D846-Q880 HydrophobicContact CB-CB 3.78Å; D846-Q880 HydrophobicContact CB-CG 3.99Å; D846-Q880 WeakPolarHBondContact OD1-CB 3.37Å; D846-N882 WeakPolarHBondContact OD1-CB 3.47Å; D846-N882 PolarHBondContact OD1-N 3.39Å; D846-N882 PolarHBondContact OD2-ND2 2.91Å; D846-A883 VanDerWaalsContact OD1-CB 3.32Å; D846-A883 WeakPolarHBondContact OD1-CB 3.35Å; D846-A883 PolarHBondContact OD1-N 3.23Å |
| 847 | H | 90.4 | Very high | 90.3 | Very high | 41 Ų | 41 | 30.7 Ų | 30.7 | 19% | 0.19 | 16% | 0.159 | C | C | . | . | trans | -84.3 | 96 | 179.7 | -68 | -38.4 | 0 | 0 | 0 | 110.8 | V808 I809 D811 A842 T845 C850 L851 | V808-H847 PolarHBondContact O-CD2 3.16Å; V808-H847 VanDerWaalsContact O-CD2 3.28Å; I809-H847 PolarHBondContact O-NE2 2.88Å; D811-H847 HydrophobicContact CB-CB 4.25Å; D811-H847 WeakPolarHBondContact CB-ND1 3.3Å; D811-H847 WeakPolarHBondContact OD1-CB 3.43Å; D811-H847 IonicContact OD1-CG 3.25Å; D811-H847 IonicContact OD1-ND1 3.74Å; D811-H847 IonicContact OD2-CE1 2.79Å; D811-H847 IonicContact OD2-CG 3.83Å; D811-H847 IonicContact OD2-ND1 3.61Å; D811-H847 PolarHBondContact OD2-ND1 3.31Å; A842-H847 PolarHBondContact O-N 2.85Å; T845-H847 VanDerWaalsContact CB-CD2 3.43Å; T845-H847 WeakPolarHBondContact CB-CD2 3.4Å; T845-H847 WeakPolarHBondContact CB-NE2 3.46Å; T845-H847 PolarHBondContact OG1-CD2 2.92Å; T845-H847 PolarHBondContact OG1-NE2 2.94Å; H847-C850 HydrophobicContact CB-CB 4.16Å; H847-L851 WeakPolarHBondContact O-CB 3.4Å; H847-L851 VanDerWaalsContact O-CG 3.29Å; H847-L851 WeakPolarHBondContact O-CG 3.32Å; H847-L851 PolarHBondContact O-N 2.82Å | ||
| 848 | V | 88.9 | Confident | 90 | Very high | 28 Ų | 28 | 37.4 Ų | 37.4 | 17% | 0.17 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.7 | -39.8 | -169.7 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | D846 L851 Q852 N882 L886 | D846-V848 PolarHBondContact O-N 3.44Å; V848-L851 WeakPolarHBondContact O-CB 3.17Å; V848-L851 PolarHBondContact O-N 2.99Å; V848-Q852 WeakPolarHBondContact O-CG 3.26Å; V848-Q852 PolarHBondContact O-N 3.48Å; V848-N882 HydrophobicContact CG2-CB 3.45Å; V848-N882 VanDerWaalsContact CG2-CB 3.45Å; V848-L886 HydrophobicContact CG1-CD1 3.45Å; V848-L886 VanDerWaalsContact CG1-CD1 3.45Å |
| 849 | E | 89.8 | Confident | 89.8 | Confident | 95 Ų | 95 | 38 Ų | 38 | 44% | 0.444 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.7 | -52.5 | 179.6 | -67.2 | 75.4 | -173.6 | 0 | 0 | 109.8 | L851 Q852 L853 | E849-L851 VanDerWaalsContact C-N 3.29Å; E849-L851 PolarHBondContact O-N 3.15Å; E849-Q852 PolarHBondContact O-N 3.02Å; E849-Q852 VanDerWaalsContact O-N 3.11Å; E849-L853 PolarHBondContact O-N 3.28Å |
| 850 | C | 89.8 | Confident | 89.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60 | -36.3 | 172.6 | -71.3 | 0 | 0 | 0 | 0 | 112.6 | V808 D811 H847 L854 | V808-C850 HydrophobicContact CG1-CB 4.22Å; V808-C850 HydrophobicContact CG2-CB 4.47Å; D811-C850 PolarHBondContact OD1-SG 3.36Å; H847-C850 HydrophobicContact CB-CB 4.16Å; C850-L854 WeakPolarHBondContact O-CB 3.43Å; C850-L854 WeakPolarHBondContact O-CG 3.26Å; C850-L854 PolarHBondContact O-N 3.07Å |
| 851 | L | 89.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -46.2 | 173.1 | -82.7 | 166.7 | 0 | 0 | 0 | 111.4 | L839 A842 A843 H847 V848 E849 L854 L855 A883 L886 L887 | L839-L851 HydrophobicContact CD1-CD2 3.64Å; L839-L851 HydrophobicContact CG-CD2 4.34Å; A842-L851 HydrophobicContact CB-CD2 3.67Å; A842-L851 HydrophobicContact CB-CG 3.62Å; A843-L851 HydrophobicContact CB-CD2 4.37Å; H847-L851 WeakPolarHBondContact O-CB 3.4Å; H847-L851 VanDerWaalsContact O-CG 3.29Å; H847-L851 WeakPolarHBondContact O-CG 3.32Å; H847-L851 PolarHBondContact O-N 2.82Å; V848-L851 WeakPolarHBondContact O-CB 3.17Å; V848-L851 PolarHBondContact O-N 2.99Å; E849-L851 VanDerWaalsContact C-N 3.29Å; E849-L851 PolarHBondContact O-N 3.15Å; L851-L854 PolarHBondContact O-N 3.2Å; L851-L855 WeakPolarHBondContact O-CB 3.33Å; L851-L855 WeakPolarHBondContact O-CD1 3.34Å; L851-L855 WeakPolarHBondContact O-CG 3.46Å; L851-L855 PolarHBondContact O-N 3.32Å; L851-A883 HydrophobicContact CD1-CB 3.46Å; L851-A883 VanDerWaalsContact CD1-CB 3.46Å; L851-L886 HydrophobicContact CB-CD2 4.4Å; L851-L887 HydrophobicContact CD2-CD2 4.41Å |
| 852 | Q | 90.6 | Very high | 89.2 | Confident | 110 Ų | 110 | 48.8 Ų | 48.8 | 51% | 0.514 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 178.2 | -73.6 | 177.4 | 16 | 0 | 0 | 111.8 | V848 E849 L855 S856 L886 | V848-Q852 WeakPolarHBondContact O-CG 3.26Å; V848-Q852 PolarHBondContact O-N 3.48Å; E849-Q852 PolarHBondContact O-N 3.02Å; E849-Q852 VanDerWaalsContact O-N 3.11Å; Q852-L855 PolarHBondContact O-N 3.43Å; Q852-S856 PolarHBondContact O-N 3.09Å; Q852-L886 HydrophobicContact CG-CD1 3.39Å; Q852-L886 VanDerWaalsContact NE2-CD1 3.33Å |
| 853 | L | 90.7 | Very high | 89.1 | Confident | 11 Ų | 11 | 49.2 Ų | 49.2 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 177.1 | -177 | 70.8 | 0 | 0 | 0 | 111.5 | E813 A816 E817 I820 E849 L855 S856 H857 | E813-L853 HydrophobicContact CG-CD2 4Å; A816-L853 HydrophobicContact CB-CD2 3.87Å; E817-L853 HydrophobicContact CB-CD1 4.29Å; E817-L853 HydrophobicContact CB-CD2 4.05Å; E817-L853 HydrophobicContact CG-CD1 4.28Å; I820-L853 HydrophobicContact CD1-CD2 4.4Å; I820-L853 HydrophobicContact CD1-CG 4.42Å; E849-L853 PolarHBondContact O-N 3.28Å; L853-L855 VanDerWaalsContact C-N 3.29Å; L853-L855 PolarHBondContact O-N 3.36Å; L853-S856 PolarHBondContact O-N 3.37Å; L853-S856 PolarHBondContact O-OG 3.33Å; L853-H857 PolarHBondContact O-CD2 3.49Å; L853-H857 VanDerWaalsContact O-CD2 3.32Å; L853-H857 PolarHBondContact O-N 2.95Å |
| 854 | L | 90.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 177.7 | -69.2 | 169.6 | 0 | 0 | 0 | 111.6 | L804 V808 I820 V828 P838 L839 A842 C850 L851 H857 A859 | L804-L854 HydrophobicContact CD2-CD2 4.02Å; V808-L854 HydrophobicContact CG1-CD1 4.22Å; V808-L854 HydrophobicContact CG2-CD1 4.09Å; I820-L854 HydrophobicContact CD1-CD2 4.15Å; V828-L854 HydrophobicContact CG1-CD2 4.13Å; P838-L854 HydrophobicContact CB-CD1 4.05Å; P838-L854 HydrophobicContact CB-CD2 4.08Å; L839-L854 HydrophobicContact CB-CD1 4.41Å; L839-L854 HydrophobicContact CD1-CB 3.88Å; L839-L854 HydrophobicContact CD1-CD1 4.18Å; A842-L854 HydrophobicContact CB-CD1 4.15Å; C850-L854 WeakPolarHBondContact O-CB 3.43Å; C850-L854 WeakPolarHBondContact O-CG 3.26Å; C850-L854 PolarHBondContact O-N 3.07Å; L851-L854 PolarHBondContact O-N 3.2Å; L854-H857 CarbonylContact O-C 3.46Å; L854-H857 PolarHBondContact O-N 3.16Å; L854-A859 HydrophobicContact CB-CB 4.01Å; L854-A859 WeakPolarHBondContact O-CB 3.43Å; L854-A859 PolarHBondContact O-N 3.44Å |
| 855 | L | 88.8 | Confident | 88.9 | Confident | 38 Ų | 38 | 48.6 Ų | 48.6 | 20% | 0.199 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.5 | -36.5 | 179 | -69.5 | 169.9 | 0 | 0 | 0 | 113.1 | L839 L851 Q852 L853 H857 N858 V861 L886 A891 | L839-L855 HydrophobicContact CD1-CD2 4.21Å; L839-L855 HydrophobicContact CD1-CG 4.2Å; L839-L855 HydrophobicContact CD2-CD2 4.29Å; L851-L855 WeakPolarHBondContact O-CB 3.33Å; L851-L855 WeakPolarHBondContact O-CD1 3.34Å; L851-L855 WeakPolarHBondContact O-CG 3.46Å; L851-L855 PolarHBondContact O-N 3.32Å; Q852-L855 PolarHBondContact O-N 3.43Å; L853-L855 VanDerWaalsContact C-N 3.29Å; L853-L855 PolarHBondContact O-N 3.36Å; L855-H857 PolarHBondContact O-N 2.86Å; L855-N858 PolarHBondContact O-N 3.12Å; L855-V861 HydrophobicContact CD2-CG2 3.51Å; L855-L886 HydrophobicContact CD1-CD2 3.4Å; L855-A891 HydrophobicContact CD1-CB 3.79Å; L855-A891 HydrophobicContact CD2-CB 4.1Å |
| 856 | S | 88.7 | Confident | 88.9 | Confident | 80 Ų | 80 | 51 Ų | 51 | 56% | 0.559 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.5 | -31.4 | 175.8 | 68.5 | 0 | 0 | 0 | 0 | 111.6 | Q852 L853 N858 | Q852-S856 PolarHBondContact O-N 3.09Å; L853-S856 PolarHBondContact O-N 3.37Å; L853-S856 PolarHBondContact O-OG 3.33Å; S856-N858 VanDerWaalsContact C-N 3.31Å; S856-N858 PolarHBondContact O-N 3Å |
| 857 | H | 87.6 | Confident | 88.8 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 28% | 0.282 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 32.6 | 174 | -69.5 | -95.5 | 0 | 0 | 0 | 114 | I820 D821 V828 L853 L854 L855 A859 | I820-H857 HydrophobicContact CG2-CB 4.05Å; I820-H857 WeakPolarHBondContact CG2-ND1 3.19Å; D821-H857 IonicContact OD1-CE1 2.92Å; V828-H857 HydrophobicContact CG2-CB 4.4Å; L853-H857 PolarHBondContact O-CD2 3.49Å; L853-H857 VanDerWaalsContact O-CD2 3.32Å; L853-H857 PolarHBondContact O-N 2.95Å; L854-H857 CarbonylContact O-C 3.46Å; L854-H857 PolarHBondContact O-N 3.16Å; L855-H857 PolarHBondContact O-N 2.86Å; H857-A859 PolarHBondContact O-N 3.15Å |
| 858 | N | 84.9 | Confident | 88.6 | Confident | 149 Ų | 149 | 50.5 Ų | 50.5 | 80% | 0.797 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 31.1 | 172.8 | -65.5 | 99.2 | 0 | 0 | 0 | 115.5 | L855 S856 Q860 | L855-N858 PolarHBondContact O-N 3.12Å; S856-N858 VanDerWaalsContact C-N 3.31Å; S856-N858 PolarHBondContact O-N 3Å; N858-Q860 PolarHBondContact O-N 3.27Å |
| 859 | A | 87.1 | Confident | 88.7 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | trans | -56.9 | 136.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V828 L839 L854 H857 V861 | V828-A859 HydrophobicContact CG1-CB 3.55Å; L839-A859 HydrophobicContact CB-CB 4.46Å; L839-A859 HydrophobicContact CD1-CB 4.24Å; L839-A859 HydrophobicContact CD2-CB 4.08Å; L854-A859 HydrophobicContact CB-CB 4.01Å; L854-A859 WeakPolarHBondContact O-CB 3.43Å; L854-A859 PolarHBondContact O-N 3.44Å; H857-A859 PolarHBondContact O-N 3.15Å; A859-V861 PolarHBondContact O-N 3.3Å | ||
| 860 | Q | 87.5 | Confident | 88.9 | Confident | 141 Ų | 141 | 46.5 Ų | 46.5 | 66% | 0.659 | 27% | 0.27 | S | S | * | . | trans | -72.8 | 103.6 | 179.7 | -67.9 | -179.1 | 4.7 | 0 | 0 | 110.6 | N858 N862 C863 | N858-Q860 PolarHBondContact O-N 3.27Å; Q860-N862 PolarHBondContact O-N 2.93Å; Q860-C863 HydrophobicContact CB-CB 4Å; Q860-C863 PolarHBondContact O-N 3.41Å; Q860-C863 PolarHBondContact O-SG 3.21Å | ||
| 861 | V | 87.5 | Confident | 89 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -36.8 | -179.5 | -173.1 | 0 | 0 | 0 | 0 | 112.8 | L855 A859 P871 L887 A891 A893 | L855-V861 HydrophobicContact CD2-CG2 3.51Å; A859-V861 PolarHBondContact O-N 3.3Å; V861-P871 WeakPolarHBondContact O-CD 3.37Å; V861-L887 HydrophobicContact CG1-CD2 4.29Å; V861-A891 HydrophobicContact CG1-CB 4.06Å; V861-A891 HydrophobicContact CG2-CB 4.05Å; V861-A893 HydrophobicContact CG1-CB 3.58Å |
| 862 | N | 88.1 | Confident | 89.1 | Confident | 70 Ų | 70 | 46.6 Ų | 46.6 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 18.9 | -173.6 | -65.9 | -27.4 | 0 | 0 | 0 | 112.9 | Q860 D894 L897 | Q860-N862 PolarHBondContact O-N 2.93Å; N862-D894 PolarHBondContact OD1-N 3.47Å; N862-L897 HydrophobicContact CB-CD1 3.7Å |
| 863 | C | 88 | Confident | 89.2 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | trans | -63.4 | 150.4 | 173 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | T837 H840 Q860 T870 P871 | T837-C863 HydrophobicContact CG2-CB 4.37Å; T837-C863 PolarHBondContact OG1-SG 3.48Å; H840-C863 PolarHBondContact CE1-SG 3.27Å; Q860-C863 HydrophobicContact CB-CB 4Å; Q860-C863 PolarHBondContact O-N 3.41Å; Q860-C863 PolarHBondContact O-SG 3.21Å; C863-T870 WeakPolarHBondContact O-CA 3.31Å; C863-P871 VanDerWaalsContact O-CD 3.26Å; C863-P871 WeakPolarHBondContact O-CD 3.32Å | ||
| 864 | V | 88.9 | Confident | 89.3 | Confident | 67 Ų | 67 | 41.5 Ų | 41.5 | 41% | 0.406 | 25% | 0.247 | S | C | . | . | trans | -117.5 | 141.8 | 179.7 | -64.5 | 0 | 0 | 0 | 0 | 110.8 | K869 T870 | V864-K869 WeakPolarHBondContact CA-O 3.48Å; V864-T870 HydrophobicContact CG1-CG2 3.99Å | ||
| 865 | D | 90.5 | Very high | 89.5 | Confident | 19 Ų | 19 | 41.5 Ų | 41.5 | 10% | 0.102 | 25% | 0.247 | C | C | . | . | trans | -77.9 | -176.6 | 169.2 | 78.8 | -1.1 | 0 | 0 | 0 | 112.2 | R836 A867 G868 K869 | R836-D865 HydrophobicContact CG-CB 3.68Å; D865-A867 PolarHBondContact O-N 3.49Å; D865-A867 WeakPolarHBondContact OD1-CA 3.17Å; D865-A867 WeakPolarHBondContact OD1-CB 3.22Å; D865-A867 PolarHBondContact OD1-N 3.07Å; D865-G868 PolarHBondContact O-N 3.19Å; D865-G868 PolarHBondContact OD1-N 2.89Å; D865-G868 VanDerWaalsContact OD1-N 3.13Å; D865-K869 PolarHBondContact N-O 3.38Å; D865-K869 WeakPolarHBondContact OD1-CB 3.06Å; D865-K869 PolarHBondContact OD1-N 2.82Å | ||
| 866 | A | 89 | Confident | 89.6 | Confident | 81 Ų | 81 | 39.7 Ų | 39.7 | 67% | 0.669 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K834 | K834-A866 VanDerWaalsContact O-CB 3.24Å; K834-A866 WeakPolarHBondContact O-CB 3.31Å; K834-A866 PolarHBondContact O-N 3.36Å |
| 867 | A | 86.7 | Confident | 89.8 | Confident | 43 Ų | 43 | 37.7 Ų | 37.7 | 36% | 0.355 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 4.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D865 K869 A900 | D865-A867 PolarHBondContact O-N 3.49Å; D865-A867 WeakPolarHBondContact OD1-CA 3.17Å; D865-A867 WeakPolarHBondContact OD1-CB 3.22Å; D865-A867 PolarHBondContact OD1-N 3.07Å; A867-K869 VanDerWaalsContact C-N 3.27Å; A867-K869 HydrophobicContact CB-CG 4.34Å; A867-K869 PolarHBondContact O-N 2.91Å; A867-A900 VanDerWaalsContact O-CB 3.29Å; A867-A900 WeakPolarHBondContact O-CB 3.47Å; A867-A900 PolarHBondContact O-N 2.63Å |
| 868 | G | 87.3 | Confident | 90 | Very high | 19 Ų | 19 | 37.5 Ų | 37.5 | 20% | 0.196 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 77.7 | 8.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D865 | D865-G868 PolarHBondContact O-N 3.19Å; D865-G868 PolarHBondContact OD1-N 2.89Å; D865-G868 VanDerWaalsContact OD1-N 3.13Å |
| 869 | K | 90.6 | Very high | 90.3 | Very high | 36 Ų | 36 | 31.2 Ų | 31.2 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | trans | -81.7 | 136.1 | -177.8 | -66.2 | -179.2 | 175.3 | -178.4 | 0 | 110.5 | H840 V864 D865 A867 M873 E877 D899 | H840-K869 PolarHBondContact NE2-O 3.26Å; V864-K869 WeakPolarHBondContact CA-O 3.48Å; D865-K869 PolarHBondContact N-O 3.38Å; D865-K869 WeakPolarHBondContact OD1-CB 3.06Å; D865-K869 PolarHBondContact OD1-N 2.82Å; A867-K869 VanDerWaalsContact C-N 3.27Å; A867-K869 HydrophobicContact CB-CG 4.34Å; A867-K869 PolarHBondContact O-N 2.91Å; K869-M873 HydrophobicContact CB-CB 4.23Å; K869-M873 HydrophobicContact CB-SD 4.43Å; K869-E877 IonicContact NZ-OE1 2.85Å; K869-E877 PolarHBondContact NZ-OE1 3.06Å; K869-E877 IonicContact NZ-OE2 3.4Å; K869-E877 PolarHBondContact NZ-OE2 3.47Å; K869-D899 HydrophobicContact CG-CB 3.94Å | ||
| 870 | T | 93.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | trans | -85.7 | 164.3 | 171.3 | 66.1 | 0 | 0 | 0 | 0 | 111.4 | C863 V864 L872 M873 M874 L897 | C863-T870 WeakPolarHBondContact O-CA 3.31Å; V864-T870 HydrophobicContact CG1-CG2 3.99Å; T870-L872 PolarHBondContact O-N 3.45Å; T870-M873 HydrophobicContact CG2-CE 4.46Å; T870-M873 HydrophobicContact CG2-SD 4.29Å; T870-M873 PolarHBondContact N-SD 2.98Å; T870-M873 WeakPolarHBondContact O-CB 3.38Å; T870-M873 PolarHBondContact O-N 3.47Å; T870-M873 WeakPolarHBondContact OG1-CG 3.22Å; T870-M873 PolarHBondContact OG1-N 3.07Å; T870-M874 PolarHBondContact O-N 3.44Å; T870-L897 HydrophobicContact CG2-CB 4.09Å; T870-L897 HydrophobicContact CG2-CD1 3.68Å | ||
| 871 | P | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -53.5 | -39.4 | 171.7 | -26.5 | 33.5 | 0 | 0 | 0 | 112.5 | L839 H840 A843 V861 C863 M874 A875 L887 | L839-P871 HydrophobicContact CB-CG 4.36Å; L839-P871 HydrophobicContact CD2-CB 4.33Å; L839-P871 HydrophobicContact CD2-CG 3.88Å; L839-P871 HydrophobicContact CG-CB 4.17Å; L839-P871 HydrophobicContact CG-CG 4.04Å; H840-P871 WeakPolarHBondContact NE2-CD 3.48Å; A843-P871 HydrophobicContact CB-CB 3.98Å; A843-P871 VanDerWaalsContact CB-O 3.3Å; A843-P871 WeakPolarHBondContact CB-O 3.48Å; V861-P871 WeakPolarHBondContact O-CD 3.37Å; C863-P871 VanDerWaalsContact O-CD 3.26Å; C863-P871 WeakPolarHBondContact O-CD 3.32Å; P871-M874 PolarHBondContact O-N 3.39Å; P871-A875 PolarHBondContact O-N 2.97Å; P871-L887 HydrophobicContact CB-CD1 4.28Å |
| 872 | L | 92.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 175.4 | 176.7 | 65 | 0 | 0 | 0 | 112 | T870 M874 A875 A876 V884 L887 V888 A893 L895 A905 | T870-L872 PolarHBondContact O-N 3.45Å; L872-M874 VanDerWaalsContact C-N 3.28Å; L872-M874 PolarHBondContact O-N 2.7Å; L872-A875 PolarHBondContact O-N 2.91Å; L872-A876 WeakPolarHBondContact O-CB 3.48Å; L872-A876 PolarHBondContact O-N 3.24Å; L872-V884 HydrophobicContact CD1-CB 4.48Å; L872-V884 HydrophobicContact CD1-CG1 4.27Å; L872-V884 HydrophobicContact CD1-CG2 4.28Å; L872-L887 HydrophobicContact CB-CD1 4.34Å; L872-L887 HydrophobicContact CD1-CB 4.05Å; L872-V888 HydrophobicContact CD1-CG2 3.53Å; L872-V888 HydrophobicContact CD2-CG2 3.99Å; L872-V888 HydrophobicContact CG-CG2 4.43Å; L872-A893 HydrophobicContact CB-CB 4.25Å; L872-A893 HydrophobicContact CD2-CB 3.96Å; L872-L895 HydrophobicContact CD2-CD2 3.28Å; L872-A905 HydrophobicContact CD2-CB 4.05Å; L872-A905 HydrophobicContact CG-CB 3.95Å |
| 873 | M | 92.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.2 | -38.2 | 175.9 | -73.6 | 171.2 | -177.1 | 0 | 0 | 111.8 | K869 T870 A876 E877 L897 Q898 D899 A905 L908 | K869-M873 HydrophobicContact CB-CB 4.23Å; K869-M873 HydrophobicContact CB-SD 4.43Å; T870-M873 HydrophobicContact CG2-CE 4.46Å; T870-M873 HydrophobicContact CG2-SD 4.29Å; T870-M873 PolarHBondContact N-SD 2.98Å; T870-M873 WeakPolarHBondContact O-CB 3.38Å; T870-M873 PolarHBondContact O-N 3.47Å; T870-M873 WeakPolarHBondContact OG1-CG 3.22Å; T870-M873 PolarHBondContact OG1-N 3.07Å; M873-A876 PolarHBondContact O-N 3.23Å; M873-E877 VanDerWaalsContact O-CB 3.27Å; M873-E877 WeakPolarHBondContact O-CB 3.32Å; M873-E877 PolarHBondContact O-N 3.45Å; M873-L897 HydrophobicContact CE-CB 4.12Å; M873-L897 WeakPolarHBondContact CE-O 3.16Å; M873-Q898 VanDerWaalsContact CE-CA 3.5Å; M873-D899 HydrophobicContact SD-CB 4.13Å; M873-A905 HydrophobicContact CG-CB 3.98Å; M873-L908 HydrophobicContact CB-CD1 3.65Å; M873-L908 HydrophobicContact CG-CD1 3.93Å; M873-L908 HydrophobicContact SD-CD1 4.49Å |
| 874 | M | 92.4 | Very high | 91.4 | Very high | 13 Ų | 13 | 26.6 Ų | 26.6 | 6% | 0.064 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.3 | -44.3 | 176.9 | -169.2 | 166.3 | -67.4 | 0 | 0 | 111.9 | R836 H840 F844 T870 P871 L872 E877 N878 | R836-M874 HydrophobicContact CG-CE 4.35Å; H840-M874 HydrophobicContact CB-CE 4.15Å; H840-M874 HydrophobicContact CB-SD 3.86Å; F844-M874 HydrophobicContact CB-CG 4.19Å; F844-M874 HydrophobicContact CB-SD 3.9Å; F844-M874 HydrophobicContact CD2-CG 4.18Å; F844-M874 HydrophobicContact CD2-SD 4.11Å; F844-M874 HydrophobicContact CG-SD 4.49Å; T870-M874 PolarHBondContact O-N 3.44Å; P871-M874 PolarHBondContact O-N 3.39Å; L872-M874 VanDerWaalsContact C-N 3.28Å; L872-M874 PolarHBondContact O-N 2.7Å; M874-E877 PolarHBondContact O-N 3.5Å; M874-N878 PolarHBondContact O-N 3.01Å; M874-N878 VanDerWaalsContact O-N 3.15Å |
| 875 | A | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A843 P871 L872 N878 G879 Q880 A883 V884 L887 | A843-A875 HydrophobicContact CB-CB 4.16Å; A843-A875 WeakPolarHBondContact O-CA 3.48Å; P871-A875 PolarHBondContact O-N 2.97Å; L872-A875 PolarHBondContact O-N 2.91Å; A875-N878 PolarHBondContact O-N 3.46Å; A875-G879 PolarHBondContact O-N 2.9Å; A875-Q880 HydrophobicContact CB-CB 4.22Å; A875-Q880 PolarHBondContact O-N 3.36Å; A875-A883 HydrophobicContact CB-CB 3.93Å; A875-V884 HydrophobicContact CB-CG2 3.72Å; A875-L887 HydrophobicContact CB-CD1 4.42Å |
| 876 | A | 92.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.9 | -38.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L872 M873 V884 A905 A909 H914 I921 | L872-A876 WeakPolarHBondContact O-CB 3.48Å; L872-A876 PolarHBondContact O-N 3.24Å; M873-A876 PolarHBondContact O-N 3.23Å; A876-V884 HydrophobicContact CB-CG2 4.31Å; A876-A905 HydrophobicContact CB-CB 4.16Å; A876-A905 WeakPolarHBondContact CB-O 3.15Å; A876-A909 HydrophobicContact CB-CB 4.2Å; A876-A909 WeakPolarHBondContact O-CA 3.35Å; A876-H914 PolarHBondContact O-CD2 3.46Å; A876-I921 HydrophobicContact CB-CD1 3.9Å |
| 877 | E | 92.6 | Very high | 91.6 | Very high | 39 Ų | 39 | 23.9 Ų | 23.9 | 18% | 0.182 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69 | -34.1 | 177.1 | -175.2 | 178.1 | -154 | 0 | 0 | 112.7 | K869 M873 M874 L908 K912 H914 | K869-E877 IonicContact NZ-OE1 2.85Å; K869-E877 PolarHBondContact NZ-OE1 3.06Å; K869-E877 IonicContact NZ-OE2 3.4Å; K869-E877 PolarHBondContact NZ-OE2 3.47Å; M873-E877 VanDerWaalsContact O-CB 3.27Å; M873-E877 WeakPolarHBondContact O-CB 3.32Å; M873-E877 PolarHBondContact O-N 3.45Å; M874-E877 PolarHBondContact O-N 3.5Å; E877-L908 HydrophobicContact CB-CB 4.27Å; E877-K912 HydrophobicContact CG-CG 4Å; E877-K912 WeakPolarHBondContact O-CG 3.15Å; E877-H914 PolarHBondContact O-CD2 3.2Å; E877-H914 PolarHBondContact O-NE2 2.86Å; E877-H914 VanDerWaalsContact O-NE2 3.13Å |
| 878 | N | 91.6 | Very high | 91.6 | Very high | 57 Ų | 57 | 22.5 Ų | 22.5 | 31% | 0.305 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -90.7 | -7 | 179.1 | -74.4 | -16.1 | 0 | 0 | 0 | 114.2 | F844 M874 A875 Q880 | F844-N878 WeakPolarHBondContact CD2-ND2 3.32Å; F844-N878 WeakPolarHBondContact CE2-ND2 3.47Å; F844-N878 WeakPolarHBondContact CG-ND2 3.33Å; F844-N878 PolarHBondContact O-ND2 3.1Å; M874-N878 PolarHBondContact O-N 3.01Å; M874-N878 VanDerWaalsContact O-N 3.15Å; A875-N878 PolarHBondContact O-N 3.46Å; N878-Q880 HydrophobicContact CB-CG 3.92Å |
| 879 | G | 91.1 | Very high | 91.6 | Very high | 16 Ų | 16 | 24.2 Ų | 24.2 | 17% | 0.165 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 25.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | A875 T881 H914 | A875-G879 PolarHBondContact O-N 2.9Å; G879-T881 PolarHBondContact O-N 3.45Å; G879-T881 VanDerWaalsContact O-N 3.11Å; G879-H914 VanDerWaalsContact CA-CD2 3.45Å; G879-H914 WeakPolarHBondContact CA-CD2 3.42Å; G879-H914 PolarHBondContact N-CD2 3.46Å; G879-H914 VanDerWaalsContact N-CD2 3.28Å; G879-H914 PolarHBondContact N-NE2 2.7Å |
| 880 | Q | 93.8 | Very high | 91.2 | Very high | 47 Ų | 47 | 26.7 Ų | 26.7 | 22% | 0.22 | 15% | 0.153 | C | C | . | . | trans | -79.9 | 91.3 | -178.5 | -56.3 | -58 | 22 | 0 | 0 | 110.1 | F844 D846 A875 N878 A883 V884 | F844-Q880 PolarHBondContact O-NE2 2.97Å; D846-Q880 HydrophobicContact CB-CB 3.78Å; D846-Q880 HydrophobicContact CB-CG 3.99Å; D846-Q880 WeakPolarHBondContact OD1-CB 3.37Å; A875-Q880 HydrophobicContact CB-CB 4.22Å; A875-Q880 PolarHBondContact O-N 3.36Å; N878-Q880 HydrophobicContact CB-CG 3.92Å; Q880-A883 HydrophobicContact CB-CB 4.03Å; Q880-V884 WeakPolarHBondContact O-CB 3.42Å; Q880-V884 WeakPolarHBondContact O-CG2 3.5Å; Q880-V884 PolarHBondContact O-N 3.49Å | ||
| 881 | T | 92 | Very high | 90.6 | Very high | 39 Ų | 39 | 27.7 Ų | 27.7 | 24% | 0.239 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.1 | -40.2 | -168.8 | 48.1 | 0 | 0 | 0 | 0 | 113.3 | G879 V884 E885 T916 | G879-T881 PolarHBondContact O-N 3.45Å; G879-T881 VanDerWaalsContact O-N 3.11Å; T881-V884 PolarHBondContact O-N 3.45Å; T881-E885 WeakPolarHBondContact O-CB 3.36Å; T881-E885 PolarHBondContact O-N 2.77Å; T881-T916 WeakPolarHBondContact CG2-OG1 3.49Å |
| 882 | N | 92.1 | Very high | 90.2 | Very high | 77 Ų | 77 | 36.1 Ų | 36.1 | 41% | 0.412 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -74.1 | -40.2 | -175.2 | -54.3 | -50.7 | 0 | 0 | 0 | 110.5 | D846 V848 E885 L886 | D846-N882 WeakPolarHBondContact OD1-CB 3.47Å; D846-N882 PolarHBondContact OD1-N 3.39Å; D846-N882 PolarHBondContact OD2-ND2 2.91Å; V848-N882 HydrophobicContact CG2-CB 3.45Å; V848-N882 VanDerWaalsContact CG2-CB 3.45Å; N882-E885 PolarHBondContact O-N 3.28Å; N882-L886 WeakPolarHBondContact O-CB 3.25Å; N882-L886 PolarHBondContact O-N 3.05Å |
| 883 | A | 91.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -44 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D846 L851 A875 Q880 L886 L887 | D846-A883 VanDerWaalsContact OD1-CB 3.32Å; D846-A883 WeakPolarHBondContact OD1-CB 3.35Å; D846-A883 PolarHBondContact OD1-N 3.23Å; L851-A883 HydrophobicContact CD1-CB 3.46Å; L851-A883 VanDerWaalsContact CD1-CB 3.46Å; A875-A883 HydrophobicContact CB-CB 3.93Å; Q880-A883 HydrophobicContact CB-CB 4.03Å; A883-L886 PolarHBondContact O-N 3.24Å; A883-L887 VanDerWaalsContact O-CB 3.27Å; A883-L887 WeakPolarHBondContact O-CB 3.48Å; A883-L887 WeakPolarHBondContact O-CD1 3.5Å; A883-L887 WeakPolarHBondContact O-CG 3.29Å; A883-L887 PolarHBondContact O-N 2.99Å |
| 884 | V | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 174.6 | 167.6 | 0 | 0 | 0 | 0 | 110.7 | L872 A875 A876 Q880 T881 L886 L887 V888 L920 I921 | L872-V884 HydrophobicContact CD1-CB 4.48Å; L872-V884 HydrophobicContact CD1-CG1 4.27Å; L872-V884 HydrophobicContact CD1-CG2 4.28Å; A875-V884 HydrophobicContact CB-CG2 3.72Å; A876-V884 HydrophobicContact CB-CG2 4.31Å; Q880-V884 WeakPolarHBondContact O-CB 3.42Å; Q880-V884 WeakPolarHBondContact O-CG2 3.5Å; Q880-V884 PolarHBondContact O-N 3.49Å; T881-V884 PolarHBondContact O-N 3.45Å; V884-L886 VanDerWaalsContact C-N 3.32Å; V884-L886 PolarHBondContact O-N 3.04Å; V884-L887 PolarHBondContact O-N 3.26Å; V884-V888 HydrophobicContact CG1-CG2 4.24Å; V884-V888 WeakPolarHBondContact O-CB 3.48Å; V884-V888 WeakPolarHBondContact O-CG2 3.42Å; V884-V888 PolarHBondContact O-N 2.92Å; V884-L920 HydrophobicContact CG1-CB 4.19Å; V884-I921 HydrophobicContact CG1-CD1 4.06Å; V884-I921 HydrophobicContact CG1-CG1 3.66Å |
| 885 | E | 91.4 | Very high | 89.3 | Confident | 98 Ų | 98 | 40 Ų | 40 | 46% | 0.458 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.9 | -46.1 | 179.1 | -174.5 | 174.7 | -174.1 | 0 | 0 | 111.5 | T881 N882 S889 L920 | T881-E885 WeakPolarHBondContact O-CB 3.36Å; T881-E885 PolarHBondContact O-N 2.77Å; N882-E885 PolarHBondContact O-N 3.28Å; E885-S889 WeakPolarHBondContact O-CB 3.44Å; E885-S889 PolarHBondContact O-N 3.36Å; E885-S889 PolarHBondContact O-OG 2.98Å; E885-L920 HydrophobicContact CB-CD1 4.19Å |
| 886 | L | 91.1 | Very high | 88.9 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.1 | -45.6 | -179.3 | -169.7 | 144.6 | 0 | 0 | 0 | 112.3 | V848 L851 Q852 L855 N882 A883 V884 V888 S890 A891 | V848-L886 HydrophobicContact CG1-CD1 3.45Å; V848-L886 VanDerWaalsContact CG1-CD1 3.45Å; L851-L886 HydrophobicContact CB-CD2 4.4Å; Q852-L886 HydrophobicContact CG-CD1 3.39Å; Q852-L886 VanDerWaalsContact NE2-CD1 3.33Å; L855-L886 HydrophobicContact CD1-CD2 3.4Å; N882-L886 WeakPolarHBondContact O-CB 3.25Å; N882-L886 PolarHBondContact O-N 3.05Å; A883-L886 PolarHBondContact O-N 3.24Å; V884-L886 VanDerWaalsContact C-N 3.32Å; V884-L886 PolarHBondContact O-N 3.04Å; L886-V888 VanDerWaalsContact C-N 3.32Å; L886-V888 PolarHBondContact O-N 3.33Å; L886-S890 WeakPolarHBondContact O-CA 3.46Å; L886-S890 WeakPolarHBondContact O-CB 3.21Å; L886-S890 PolarHBondContact O-N 3.49Å; L886-S890 PolarHBondContact O-OG 2.87Å; L886-A891 PolarHBondContact O-N 3.21Å |
| 887 | L | 89.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.8 | -36.4 | -179.1 | -72.4 | 170.2 | 0 | 0 | 0 | 111.7 | A843 L851 V861 P871 L872 A875 A883 V884 A891 K892 A893 | A843-L887 HydrophobicContact CB-CD1 4.24Å; L851-L887 HydrophobicContact CD2-CD2 4.41Å; V861-L887 HydrophobicContact CG1-CD2 4.29Å; P871-L887 HydrophobicContact CB-CD1 4.28Å; L872-L887 HydrophobicContact CB-CD1 4.34Å; L872-L887 HydrophobicContact CD1-CB 4.05Å; A875-L887 HydrophobicContact CB-CD1 4.42Å; A883-L887 VanDerWaalsContact O-CB 3.27Å; A883-L887 WeakPolarHBondContact O-CB 3.48Å; A883-L887 WeakPolarHBondContact O-CD1 3.5Å; A883-L887 WeakPolarHBondContact O-CG 3.29Å; A883-L887 PolarHBondContact O-N 2.99Å; V884-L887 PolarHBondContact O-N 3.26Å; L887-A891 HydrophobicContact CD2-CB 4.32Å; L887-A891 CarbonylContact O-C 3.56Å; L887-K892 PolarHBondContact O-N 2.92Å; L887-A893 HydrophobicContact CB-CB 4.42Å; L887-A893 VanDerWaalsContact O-CB 3.29Å; L887-A893 WeakPolarHBondContact O-CB 3.4Å; L887-A893 PolarHBondContact O-N 3.06Å |
| 888 | V | 88.2 | Confident | 88.5 | Confident | 13 Ų | 13 | 48.6 Ų | 48.6 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -81.1 | -48.1 | 179.5 | -176 | 0 | 0 | 0 | 0 | 111.6 | L872 V884 L886 L895 I921 K924 | L872-V888 HydrophobicContact CD1-CG2 3.53Å; L872-V888 HydrophobicContact CD2-CG2 3.99Å; L872-V888 HydrophobicContact CG-CG2 4.43Å; V884-V888 HydrophobicContact CG1-CG2 4.24Å; V884-V888 WeakPolarHBondContact O-CB 3.48Å; V884-V888 WeakPolarHBondContact O-CG2 3.42Å; V884-V888 PolarHBondContact O-N 2.92Å; L886-V888 VanDerWaalsContact C-N 3.32Å; L886-V888 PolarHBondContact O-N 3.33Å; V888-L895 HydrophobicContact CG1-CD1 4.41Å; V888-L895 HydrophobicContact CG1-CD2 4.35Å; V888-L895 HydrophobicContact CG2-CD2 4.1Å; V888-I921 HydrophobicContact CG2-CG1 4.26Å; V888-K924 HydrophobicContact CG1-CB 3.64Å; V888-K924 HydrophobicContact CG1-CG 3.56Å |
| 889 | S | 86.1 | Confident | 88.4 | Confident | 56 Ų | 56 | 46.6 Ų | 46.6 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -82.2 | -43.4 | -173 | -61.1 | 0 | 0 | 0 | 0 | 113.1 | E885 K924 | E885-S889 WeakPolarHBondContact O-CB 3.44Å; E885-S889 PolarHBondContact O-N 3.36Å; E885-S889 PolarHBondContact O-OG 2.98Å; S889-K924 WeakPolarHBondContact OG-CE 3.23Å |
| 890 | S | 83.3 | Confident | 88.4 | Confident | 87 Ų | 87 | 49.8 Ų | 49.8 | 61% | 0.608 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -47.8 | -172 | -42.4 | 0 | 0 | 0 | 0 | 111.7 | L886 | L886-S890 WeakPolarHBondContact O-CA 3.46Å; L886-S890 WeakPolarHBondContact O-CB 3.21Å; L886-S890 PolarHBondContact O-N 3.49Å; L886-S890 PolarHBondContact O-OG 2.87Å |
| 891 | A | 80.3 | Confident | 88 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 20% | 0.198 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -86.7 | -9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L855 V861 L886 L887 A893 | L855-A891 HydrophobicContact CD1-CB 3.79Å; L855-A891 HydrophobicContact CD2-CB 4.1Å; V861-A891 HydrophobicContact CG1-CB 4.06Å; V861-A891 HydrophobicContact CG2-CB 4.05Å; L886-A891 PolarHBondContact O-N 3.21Å; L887-A891 HydrophobicContact CD2-CB 4.32Å; L887-A891 CarbonylContact O-C 3.56Å; A891-A893 VanDerWaalsContact C-N 3.29Å; A891-A893 PolarHBondContact O-N 3.49Å |
| 892 | K | 83.9 | Confident | 87.7 | Confident | 178 Ų | 178 | 57.3 Ų | 57.3 | 77% | 0.774 | 31% | 0.313 | S | S | * | . | trans | 48.6 | 48.7 | -177.1 | -60.5 | -178.2 | -178.7 | 176.8 | 0 | 112.6 | L887 | L887-K892 PolarHBondContact O-N 2.92Š| ||
| 893 | A | 86.6 | Confident | 87.6 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | trans | -55 | 142.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V861 L872 L887 A891 L895 | V861-A893 HydrophobicContact CG1-CB 3.58Å; L872-A893 HydrophobicContact CB-CB 4.25Å; L872-A893 HydrophobicContact CD2-CB 3.96Å; L887-A893 HydrophobicContact CB-CB 4.42Å; L887-A893 VanDerWaalsContact O-CB 3.29Å; L887-A893 WeakPolarHBondContact O-CB 3.4Å; L887-A893 PolarHBondContact O-N 3.06Å; A891-A893 VanDerWaalsContact C-N 3.29Å; A891-A893 PolarHBondContact O-N 3.49Å; A893-L895 PolarHBondContact O-N 3.03Å | ||
| 894 | D | 86.4 | Confident | 87.5 | Confident | 60 Ų | 60 | 54.4 Ų | 54.4 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | trans | -75.5 | 109.2 | -179.5 | -174.2 | -5.6 | 0 | 0 | 0 | 110.4 | N862 T896 L897 | N862-D894 PolarHBondContact OD1-N 3.47Å; D894-T896 VanDerWaalsContact CG-OG1 3.28Å; D894-T896 PolarHBondContact O-N 2.8Å; D894-T896 VanDerWaalsContact OD1-CB 3.31Å; D894-T896 WeakPolarHBondContact OD1-CB 3.41Å; D894-T896 WeakPolarHBondContact OD1-CG2 3.37Å; D894-T896 PolarHBondContact OD1-N 3.43Å; D894-T896 PolarHBondContact OD1-OG1 3.28Å; D894-T896 PolarHBondContact OD2-OG1 3.19Å; D894-L897 HydrophobicContact CB-CD1 3.94Å; D894-L897 HydrophobicContact CB-CG 4.01Å | ||
| 895 | L | 85.8 | Confident | 87.4 | Confident | 29 Ų | 29 | 54.6 Ų | 54.6 | 15% | 0.152 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -11.3 | -178.9 | -53.6 | -178.3 | 0 | 0 | 0 | 113.1 | L872 V888 A893 I925 L930 | L872-L895 HydrophobicContact CD2-CD2 3.28Å; V888-L895 HydrophobicContact CG1-CD1 4.41Å; V888-L895 HydrophobicContact CG1-CD2 4.35Å; V888-L895 HydrophobicContact CG2-CD2 4.1Å; A893-L895 PolarHBondContact O-N 3.03Å; L895-I925 HydrophobicContact CD1-CD1 4.39Å; L895-I925 HydrophobicContact CD1-CG1 3.61Å; L895-L930 HydrophobicContact CB-CD2 3.65Å; L895-L930 WeakPolarHBondContact O-CD1 3.4Å |
| 896 | T | 85.6 | Confident | 87.3 | Confident | 86 Ų | 86 | 50 Ų | 50 | 53% | 0.528 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -16.3 | -178.2 | 72.2 | 0 | 0 | 0 | 0 | 113.3 | D894 | D894-T896 VanDerWaalsContact CG-OG1 3.28Å; D894-T896 PolarHBondContact O-N 2.8Å; D894-T896 VanDerWaalsContact OD1-CB 3.31Å; D894-T896 WeakPolarHBondContact OD1-CB 3.41Å; D894-T896 WeakPolarHBondContact OD1-CG2 3.37Å; D894-T896 PolarHBondContact OD1-N 3.43Å; D894-T896 PolarHBondContact OD1-OG1 3.28Å; D894-T896 PolarHBondContact OD2-OG1 3.19Å |
| 897 | L | 88.2 | Confident | 87.3 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 27% | 0.267 | 28% | 0.275 | S | S | . | . | trans | -62 | 147.4 | 178.4 | -64.3 | 174.8 | 0 | 0 | 0 | 110.4 | N862 T870 M873 D894 | N862-L897 HydrophobicContact CB-CD1 3.7Å; T870-L897 HydrophobicContact CG2-CB 4.09Å; T870-L897 HydrophobicContact CG2-CD1 3.68Å; M873-L897 HydrophobicContact CE-CB 4.12Å; M873-L897 WeakPolarHBondContact CE-O 3.16Å; D894-L897 HydrophobicContact CB-CD1 3.94Å; D894-L897 HydrophobicContact CB-CG 4.01Å | ||
| 898 | Q | 88.9 | Confident | 87.3 | Confident | 82 Ų | 82 | 50 Ų | 50 | 38% | 0.383 | 28% | 0.278 | S | S | . | . | trans | -129.3 | 144.9 | -178.8 | -57.7 | -175.9 | -27 | 0 | 0 | 110.3 | M873 N903 T904 | M873-Q898 VanDerWaalsContact CE-CA 3.5Å; Q898-N903 WeakPolarHBondContact CA-O 3.09Å; Q898-T904 HydrophobicContact CG-CG2 4.15Å | ||
| 899 | D | 89.8 | Confident | 87.5 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | trans | -73.6 | -178.1 | 173 | 74.1 | 2.9 | 0 | 0 | 0 | 112 | K869 M873 E901 K902 N903 | K869-D899 HydrophobicContact CG-CB 3.94Å; M873-D899 HydrophobicContact SD-CB 4.13Å; D899-E901 PolarHBondContact O-N 2.84Å; D899-E901 VanDerWaalsContact O-N 3.11Å; D899-E901 WeakPolarHBondContact OD1-CA 3.15Å; D899-E901 PolarHBondContact OD1-N 3.22Å; D899-K902 PolarHBondContact O-N 2.94Å; D899-K902 PolarHBondContact OD1-N 3.31Å; D899-K902 VanDerWaalsContact OD1-N 3.16Å; D899-N903 PolarHBondContact N-O 3.33Å; D899-N903 WeakPolarHBondContact OD1-CB 3.5Å; D899-N903 PolarHBondContact OD1-N 3.27Å; D899-N903 PolarHBondContact OD1-ND2 2.97Å; D899-N903 PolarHBondContact OD2-ND2 3.36Å | ||
| 900 | A | 89.2 | Confident | 87.6 | Confident | 83 Ų | 83 | 46.7 Ų | 46.7 | 69% | 0.686 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -23.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A867 | A867-A900 VanDerWaalsContact O-CB 3.29Å; A867-A900 WeakPolarHBondContact O-CB 3.47Å; A867-A900 PolarHBondContact O-N 2.63Å |
| 901 | E | 86.3 | Confident | 88 | Confident | 127 Ų | 127 | 45.5 Ų | 45.5 | 59% | 0.593 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 12.6 | 176.8 | -67.5 | -176.2 | 179.9 | 0 | 0 | 112.7 | D899 N903 A936 | D899-E901 PolarHBondContact O-N 2.84Å; D899-E901 VanDerWaalsContact O-N 3.11Å; D899-E901 WeakPolarHBondContact OD1-CA 3.15Å; D899-E901 PolarHBondContact OD1-N 3.22Å; E901-N903 WeakPolarHBondContact CB-ND2 3.29Å; E901-N903 PolarHBondContact O-N 2.87Å; E901-N903 PolarHBondContact OE2-ND2 2.93Å; E901-A936 WeakPolarHBondContact O-CB 3.28Å; E901-A936 PolarHBondContact O-N 3.16Å |
| 902 | K | 86.3 | Confident | 88.4 | Confident | 118 Ų | 118 | 50 Ų | 50 | 51% | 0.513 | 26% | 0.262 | S | S | . | . | trans | 61.3 | 19.4 | -174.8 | -58 | -176.6 | 177.8 | 178.9 | 0 | 114.3 | D899 | D899-K902 PolarHBondContact O-N 2.94Å; D899-K902 PolarHBondContact OD1-N 3.31Å; D899-K902 VanDerWaalsContact OD1-N 3.16Å | ||
| 903 | N | 89.3 | Confident | 88.6 | Confident | 14 Ų | 14 | 43 Ų | 43 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | trans | -77.5 | 135.1 | 175.1 | -61 | -57.6 | 0 | 0 | 0 | 110.1 | Q898 D899 E901 H907 L908 N935 | Q898-N903 WeakPolarHBondContact CA-O 3.09Å; D899-N903 PolarHBondContact N-O 3.33Å; D899-N903 WeakPolarHBondContact OD1-CB 3.5Å; D899-N903 PolarHBondContact OD1-N 3.27Å; D899-N903 PolarHBondContact OD1-ND2 2.97Å; D899-N903 PolarHBondContact OD2-ND2 3.36Å; E901-N903 WeakPolarHBondContact CB-ND2 3.29Å; E901-N903 PolarHBondContact O-N 2.87Å; E901-N903 PolarHBondContact OE2-ND2 2.93Å; N903-H907 HydrophobicContact CB-CB 3.88Å; N903-L908 HydrophobicContact CB-CD2 4.06Å; N903-L908 HydrophobicContact CB-CG 4.11Å; N903-N935 WeakPolarHBondContact OD1-CB 3.2Å; N903-N935 PolarHBondContact OD1-ND2 2.71Å | ||
| 904 | T | 90.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | trans | -84.1 | 166 | 167.2 | 69.2 | 0 | 0 | 0 | 0 | 110.1 | Q898 L906 H907 L908 L930 A933 | Q898-T904 HydrophobicContact CG-CG2 4.15Å; T904-L906 PolarHBondContact O-N 3.11Å; T904-L906 VanDerWaalsContact O-N 3.11Å; T904-H907 PolarHBondContact N-ND1 3.27Å; T904-H907 WeakPolarHBondContact O-CB 3.47Å; T904-H907 PolarHBondContact O-N 3.18Å; T904-H907 PolarHBondContact OG1-N 3.44Å; T904-H907 PolarHBondContact OG1-ND1 3.26Å; T904-L908 PolarHBondContact O-N 2.94Å; T904-L908 VanDerWaalsContact O-N 3.14Å; T904-L930 HydrophobicContact CG2-CD1 3.88Å; T904-A933 HydrophobicContact CG2-CB 4.31Å | ||
| 905 | A | 88.8 | Confident | 89.1 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.033 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -53.9 | -33.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L872 M873 A876 L908 A909 I921 | L872-A905 HydrophobicContact CD2-CB 4.05Å; L872-A905 HydrophobicContact CG-CB 3.95Å; M873-A905 HydrophobicContact CG-CB 3.98Å; A876-A905 HydrophobicContact CB-CB 4.16Å; A876-A905 WeakPolarHBondContact CB-O 3.15Å; A905-L908 PolarHBondContact O-N 3.23Å; A905-A909 PolarHBondContact O-N 2.9Å; A905-I921 HydrophobicContact CB-CD1 4.12Å |
| 906 | L | 89.8 | Confident | 89.3 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 175.7 | -178 | 62.9 | 0 | 0 | 0 | 112.5 | T904 L908 C910 A918 I921 L922 I925 P941 L957 | T904-L906 PolarHBondContact O-N 3.11Å; T904-L906 VanDerWaalsContact O-N 3.11Å; L906-L908 VanDerWaalsContact C-N 3.32Å; L906-L908 PolarHBondContact O-N 3.02Å; L906-C910 WeakPolarHBondContact O-CB 3.13Å; L906-C910 PolarHBondContact O-N 3.01Å; L906-C910 PolarHBondContact O-SG 3.45Å; L906-A918 HydrophobicContact CD1-CB 4.12Å; L906-I921 HydrophobicContact CB-CG2 4.13Å; L906-I921 HydrophobicContact CD1-CG2 4.38Å; L906-L922 HydrophobicContact CD1-CD1 4.2Å; L906-L922 HydrophobicContact CD1-CD2 4.09Å; L906-L922 HydrophobicContact CD1-CG 3.75Å; L906-L922 HydrophobicContact CD2-CD2 3.63Å; L906-L922 HydrophobicContact CD2-CG 4.24Å; L906-I925 HydrophobicContact CD2-CD1 4.04Å; L906-P941 HydrophobicContact CD2-CB 3.81Å; L906-P941 HydrophobicContact CD2-CG 3.85Å; L906-P941 HydrophobicContact CG-CB 3.98Å; L906-P941 HydrophobicContact CG-CG 4.25Å; L906-L957 HydrophobicContact CD2-CD2 4.22Å |
| 907 | H | 89.8 | Confident | 89.6 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -43.5 | 173.8 | -72.2 | 89.8 | 0 | 0 | 0 | 111 | N903 T904 C910 S911 A933 Q939 P941 | N903-H907 HydrophobicContact CB-CB 3.88Å; T904-H907 PolarHBondContact N-ND1 3.27Å; T904-H907 WeakPolarHBondContact O-CB 3.47Å; T904-H907 PolarHBondContact O-N 3.18Å; T904-H907 PolarHBondContact OG1-N 3.44Å; T904-H907 PolarHBondContact OG1-ND1 3.26Å; H907-C910 PolarHBondContact O-N 2.82Å; H907-S911 WeakPolarHBondContact O-CB 3.24Å; H907-S911 PolarHBondContact O-N 2.8Å; H907-A933 PolarHBondContact CE1-O 2.93Å; H907-A933 PolarHBondContact NE2-O 3.33Å; H907-Q939 PolarHBondContact NE2-O 2.8Å; H907-Q939 VanDerWaalsContact NE2-O 3.14Å; H907-P941 VanDerWaalsContact NE2-CD 3.28Å; H907-P941 WeakPolarHBondContact NE2-CD 3.1Å |
| 908 | L | 90.4 | Very high | 89.6 | Confident | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.2 | -45.1 | -179.1 | -65.4 | 172.8 | 0 | 0 | 0 | 112.2 | M873 E877 N903 T904 A905 L906 C910 S911 K912 | M873-L908 HydrophobicContact CB-CD1 3.65Å; M873-L908 HydrophobicContact CG-CD1 3.93Å; M873-L908 HydrophobicContact SD-CD1 4.49Å; E877-L908 HydrophobicContact CB-CB 4.27Å; N903-L908 HydrophobicContact CB-CD2 4.06Å; N903-L908 HydrophobicContact CB-CG 4.11Å; T904-L908 PolarHBondContact O-N 2.94Å; T904-L908 VanDerWaalsContact O-N 3.14Å; A905-L908 PolarHBondContact O-N 3.23Å; L906-L908 VanDerWaalsContact C-N 3.32Å; L906-L908 PolarHBondContact O-N 3.02Å; L908-C910 VanDerWaalsContact C-N 3.34Å; L908-C910 PolarHBondContact O-N 3.38Å; L908-S911 PolarHBondContact O-N 2.8Å; L908-K912 PolarHBondContact O-N 3.12Å; L908-K912 VanDerWaalsContact O-N 3.07Å |
| 909 | A | 91.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.2 | -44.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A876 A905 G913 H914 A918 | A876-A909 HydrophobicContact CB-CB 4.2Å; A876-A909 WeakPolarHBondContact O-CA 3.35Å; A905-A909 PolarHBondContact O-N 2.9Å; A909-G913 PolarHBondContact O-N 3.1Å; A909-G913 VanDerWaalsContact O-N 3.13Å; A909-H914 PolarHBondContact O-N 3.41Å; A909-A918 HydrophobicContact CB-CB 3.97Å |
| 910 | C | 90.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67 | -37.1 | 176.9 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | L906 H907 L908 K912 G913 V944 A945 N948 L950 | L906-C910 WeakPolarHBondContact O-CB 3.13Å; L906-C910 PolarHBondContact O-N 3.01Å; L906-C910 PolarHBondContact O-SG 3.45Å; H907-C910 PolarHBondContact O-N 2.82Å; L908-C910 VanDerWaalsContact C-N 3.34Å; L908-C910 PolarHBondContact O-N 3.38Å; C910-K912 VanDerWaalsContact C-N 3.34Å; C910-K912 PolarHBondContact O-N 2.9Å; C910-G913 PolarHBondContact O-N 3.45Å; C910-V944 HydrophobicContact CB-CB 4.25Å; C910-V944 HydrophobicContact CB-CG1 3.97Å; C910-A945 HydrophobicContact CB-CB 4.18Å; C910-N948 PolarHBondContact O-ND2 3.02Å; C910-L950 HydrophobicContact CB-CD1 4.28Å |
| 911 | S | 90 | Very high | 89.6 | Confident | 62 Ų | 62 | 37.9 Ų | 37.9 | 43% | 0.434 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.8 | -37.2 | -179.3 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | H907 L908 V944 N948 | H907-S911 WeakPolarHBondContact O-CB 3.24Å; H907-S911 PolarHBondContact O-N 2.8Å; L908-S911 PolarHBondContact O-N 2.8Å; S911-V944 VanDerWaalsContact CA-CG1 3.41Å; S911-N948 VanDerWaalsContact C-ND2 3.34Å; S911-N948 VanDerWaalsContact CA-ND2 3.35Å; S911-N948 WeakPolarHBondContact CA-ND2 3.28Å; S911-N948 PolarHBondContact O-ND2 3.37Å |
| 912 | K | 89.1 | Confident | 89.7 | Confident | 117 Ų | 117 | 31.8 Ų | 31.8 | 51% | 0.509 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -92.1 | -5.2 | 179.3 | -62.1 | -64.4 | -172.5 | 179.6 | 0 | 114.3 | E877 L908 C910 H914 | E877-K912 HydrophobicContact CG-CG 4Å; E877-K912 WeakPolarHBondContact O-CG 3.15Å; L908-K912 PolarHBondContact O-N 3.12Å; L908-K912 VanDerWaalsContact O-N 3.07Å; C910-K912 VanDerWaalsContact C-N 3.34Å; C910-K912 PolarHBondContact O-N 2.9Å; K912-H914 VanDerWaalsContact CB-CD2 3.48Å; K912-H914 WeakPolarHBondContact CB-CD2 3.26Å |
| 913 | G | 88.8 | Confident | 89.7 | Confident | 33 Ų | 33 | 31.6 Ų | 31.6 | 34% | 0.34 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 19.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A909 C910 E915 | A909-G913 PolarHBondContact O-N 3.1Å; A909-G913 VanDerWaalsContact O-N 3.13Å; C910-G913 PolarHBondContact O-N 3.45Å; G913-E915 PolarHBondContact O-N 3.2Å; G913-E915 VanDerWaalsContact O-N 3.13Å |
| 914 | H | 93.2 | Very high | 89.4 | Confident | 56 Ų | 56 | 35.6 Ų | 35.6 | 26% | 0.259 | 19% | 0.188 | S | C | . | . | trans | -85.7 | 83.2 | -178.2 | -60.1 | -52.5 | 0 | 0 | 0 | 111.1 | A876 E877 G879 A909 K912 T916 S917 A918 | A876-H914 PolarHBondContact O-CD2 3.46Å; E877-H914 PolarHBondContact O-CD2 3.2Å; E877-H914 PolarHBondContact O-NE2 2.86Å; E877-H914 VanDerWaalsContact O-NE2 3.13Å; G879-H914 VanDerWaalsContact CA-CD2 3.45Å; G879-H914 WeakPolarHBondContact CA-CD2 3.42Å; G879-H914 PolarHBondContact N-CD2 3.46Å; G879-H914 VanDerWaalsContact N-CD2 3.28Å; G879-H914 PolarHBondContact N-NE2 2.7Å; A909-H914 PolarHBondContact O-N 3.41Å; K912-H914 VanDerWaalsContact CB-CD2 3.48Å; K912-H914 WeakPolarHBondContact CB-CD2 3.26Å; H914-T916 PolarHBondContact O-N 2.91Å; H914-S917 PolarHBondContact O-N 3.05Å; H914-A918 WeakPolarHBondContact O-CB 3.47Å; H914-A918 PolarHBondContact O-N 3.43Å | ||
| 915 | E | 90.3 | Very high | 89.2 | Confident | 70 Ų | 70 | 35.8 Ų | 35.8 | 33% | 0.327 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.8 | -47.1 | -174.9 | 178.8 | 155.9 | -128.6 | 0 | 0 | 113.5 | G913 A918 L919 L950 V952 V953 | G913-E915 PolarHBondContact O-N 3.2Å; G913-E915 VanDerWaalsContact O-N 3.13Å; E915-A918 PolarHBondContact O-N 3.45Å; E915-L919 HydrophobicContact CG-CD1 4.12Å; E915-L919 VanDerWaalsContact O-CG 3.29Å; E915-L919 WeakPolarHBondContact O-CG 3.37Å; E915-L919 PolarHBondContact O-N 3.11Å; E915-L950 HydrophobicContact CB-CD2 4.33Å; E915-V952 WeakPolarHBondContact OE1-CB 3.09Å; E915-V952 VanDerWaalsContact OE1-CG2 3.29Å; E915-V952 WeakPolarHBondContact OE1-CG2 3.15Å; E915-V952 PolarHBondContact OE1-N 3.34Å; E915-V953 HydrophobicContact CB-CG2 4.28Å; E915-V953 HydrophobicContact CG-CG2 3.82Å |
| 916 | T | 90.4 | Very high | 88.5 | Confident | 83 Ų | 83 | 40.2 Ų | 40.2 | 51% | 0.509 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.8 | -47 | -178.9 | 46.1 | 0 | 0 | 0 | 0 | 112.7 | T881 H914 A918 L919 L920 | T881-T916 WeakPolarHBondContact CG2-OG1 3.49Å; H914-T916 PolarHBondContact O-N 2.91Å; T916-A918 VanDerWaalsContact C-N 3.31Å; T916-A918 PolarHBondContact O-N 2.76Å; T916-L919 PolarHBondContact O-N 2.63Å; T916-L920 WeakPolarHBondContact O-CG 3.24Å; T916-L920 PolarHBondContact O-N 3.04Å |
| 917 | S | 90.5 | Very high | 88 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.8 | -40.1 | 175.2 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | H914 I921 | H914-S917 PolarHBondContact O-N 3.05Å; S917-I921 WeakPolarHBondContact O-CD1 3.18Å; S917-I921 VanDerWaalsContact O-CG1 3.28Å; S917-I921 WeakPolarHBondContact O-CG1 3.33Å; S917-I921 PolarHBondContact O-N 2.89Å; S917-I921 VanDerWaalsContact O-N 3.13Å |
| 918 | A | 89.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L906 A909 H914 E915 T916 I921 L922 V953 | L906-A918 HydrophobicContact CD1-CB 4.12Å; A909-A918 HydrophobicContact CB-CB 3.97Å; H914-A918 WeakPolarHBondContact O-CB 3.47Å; H914-A918 PolarHBondContact O-N 3.43Å; E915-A918 PolarHBondContact O-N 3.45Å; T916-A918 VanDerWaalsContact C-N 3.31Å; T916-A918 PolarHBondContact O-N 2.76Å; A918-I921 PolarHBondContact O-N 3.06Å; A918-L922 WeakPolarHBondContact O-CB 3.13Å; A918-L922 VanDerWaalsContact O-CG 3.26Å; A918-L922 WeakPolarHBondContact O-CG 3.38Å; A918-L922 PolarHBondContact O-N 3.44Å; A918-V953 HydrophobicContact CB-CG1 4.04Å; A918-V953 HydrophobicContact CB-CG2 4.06Å |
| 919 | L | 89.8 | Confident | 86.9 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 28% | 0.277 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 177.2 | -70.9 | 172.3 | 0 | 0 | 0 | 112.5 | E915 T916 I921 L922 E923 V952 V953 E956 | E915-L919 HydrophobicContact CG-CD1 4.12Å; E915-L919 VanDerWaalsContact O-CG 3.29Å; E915-L919 WeakPolarHBondContact O-CG 3.37Å; E915-L919 PolarHBondContact O-N 3.11Å; T916-L919 PolarHBondContact O-N 2.63Å; L919-I921 VanDerWaalsContact C-N 3.33Å; L919-I921 PolarHBondContact O-N 3.17Å; L919-L922 PolarHBondContact O-N 3.31Å; L919-L922 VanDerWaalsContact O-N 3.16Å; L919-E923 PolarHBondContact O-N 3.08Å; L919-V952 HydrophobicContact CD1-CG1 4.11Å; L919-V952 HydrophobicContact CD2-CG1 4.33Å; L919-V953 HydrophobicContact CD2-CG2 4.4Å; L919-V953 HydrophobicContact CG-CG2 4.29Å; L919-E956 HydrophobicContact CD2-CB 4.11Å; L919-E956 HydrophobicContact CD2-CG 4.33Å |
| 920 | L | 89.4 | Confident | 86.4 | Confident | 42 Ų | 42 | 58.5 Ų | 58.5 | 22% | 0.22 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.8 | -42 | 176.2 | -73.5 | 169.2 | 0 | 0 | 0 | 111.8 | V884 E885 T916 | V884-L920 HydrophobicContact CG1-CB 4.19Å; E885-L920 HydrophobicContact CB-CD1 4.19Å; T916-L920 WeakPolarHBondContact O-CG 3.24Å; T916-L920 PolarHBondContact O-N 3.04Å |
| 921 | I | 88.2 | Confident | 86 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -45 | 174.1 | -66.3 | 165.8 | 0 | 0 | 0 | 110 | A876 V884 V888 A905 L906 S917 A918 L919 E923 K924 I925 | A876-I921 HydrophobicContact CB-CD1 3.9Å; V884-I921 HydrophobicContact CG1-CD1 4.06Å; V884-I921 HydrophobicContact CG1-CG1 3.66Å; V888-I921 HydrophobicContact CG2-CG1 4.26Å; A905-I921 HydrophobicContact CB-CD1 4.12Å; L906-I921 HydrophobicContact CB-CG2 4.13Å; L906-I921 HydrophobicContact CD1-CG2 4.38Å; S917-I921 WeakPolarHBondContact O-CD1 3.18Å; S917-I921 VanDerWaalsContact O-CG1 3.28Å; S917-I921 WeakPolarHBondContact O-CG1 3.33Å; S917-I921 PolarHBondContact O-N 2.89Å; S917-I921 VanDerWaalsContact O-N 3.13Å; A918-I921 PolarHBondContact O-N 3.06Å; L919-I921 VanDerWaalsContact C-N 3.33Å; L919-I921 PolarHBondContact O-N 3.17Å; I921-E923 VanDerWaalsContact C-N 3.34Å; I921-E923 PolarHBondContact O-N 3.26Å; I921-K924 PolarHBondContact O-N 3.15Å; I921-I925 HydrophobicContact CG2-CD1 3.63Å; I921-I925 HydrophobicContact CG2-CG1 4.32Å; I921-I925 WeakPolarHBondContact O-CG1 3.43Å; I921-I925 PolarHBondContact O-N 3.47Å |
| 922 | L | 87.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.2 | -32.7 | 179.9 | -78.3 | 169.8 | 0 | 0 | 0 | 114.2 | L906 A918 L919 K924 I925 V953 E956 L957 K960 | L906-L922 HydrophobicContact CD1-CD1 4.2Å; L906-L922 HydrophobicContact CD1-CD2 4.09Å; L906-L922 HydrophobicContact CD1-CG 3.75Å; L906-L922 HydrophobicContact CD2-CD2 3.63Å; L906-L922 HydrophobicContact CD2-CG 4.24Å; A918-L922 WeakPolarHBondContact O-CB 3.13Å; A918-L922 VanDerWaalsContact O-CG 3.26Å; A918-L922 WeakPolarHBondContact O-CG 3.38Å; A918-L922 PolarHBondContact O-N 3.44Å; L919-L922 PolarHBondContact O-N 3.31Å; L919-L922 VanDerWaalsContact O-N 3.16Å; L922-K924 PolarHBondContact O-N 3.5Å; L922-I925 PolarHBondContact O-N 2.98Å; L922-V953 HydrophobicContact CD1-CG1 3.75Å; L922-E956 HydrophobicContact CD1-CG 4.48Å; L922-L957 HydrophobicContact CD1-CD2 4.26Å; L922-L957 HydrophobicContact CD1-CG 3.99Å; L922-L957 HydrophobicContact CD2-CD2 3.56Å; L922-L957 HydrophobicContact CD2-CG 4.19Å; L922-K960 WeakPolarHBondContact O-CE 3.47Å; L922-K960 PolarHBondContact O-NZ 3.22Å |
| 923 | E | 86.7 | Confident | 85.4 | Confident | 114 Ų | 114 | 53 Ų | 53 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56 | -42 | 177.1 | -165.7 | -162.5 | 129.9 | 0 | 0 | 110.7 | L919 I921 | L919-E923 PolarHBondContact O-N 3.08Å; I921-E923 VanDerWaalsContact C-N 3.34Å; I921-E923 PolarHBondContact O-N 3.26Å |
| 924 | K | 84.1 | Confident | 85.2 | Confident | 97 Ų | 97 | 54.3 Ų | 54.3 | 42% | 0.422 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -89.8 | -13.6 | -176.3 | -55.8 | -57.7 | -173.9 | -150.8 | 0 | 114.1 | V888 S889 I921 L922 A926 | V888-K924 HydrophobicContact CG1-CB 3.64Å; V888-K924 HydrophobicContact CG1-CG 3.56Å; S889-K924 WeakPolarHBondContact OG-CE 3.23Å; I921-K924 PolarHBondContact O-N 3.15Å; L922-K924 PolarHBondContact O-N 3.5Å; K924-A926 PolarHBondContact O-N 3.35Å |
| 925 | I | 84.8 | Confident | 84.9 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | trans | -78.5 | 117.8 | 172.7 | -63.9 | 172 | 0 | 0 | 0 | 109.9 | L895 L906 I921 L922 L930 I931 K960 | L895-I925 HydrophobicContact CD1-CD1 4.39Å; L895-I925 HydrophobicContact CD1-CG1 3.61Å; L906-I925 HydrophobicContact CD2-CD1 4.04Å; I921-I925 HydrophobicContact CG2-CD1 3.63Å; I921-I925 HydrophobicContact CG2-CG1 4.32Å; I921-I925 WeakPolarHBondContact O-CG1 3.43Å; I921-I925 PolarHBondContact O-N 3.47Å; L922-I925 PolarHBondContact O-N 2.98Å; I925-L930 HydrophobicContact CD1-CD2 3.8Å; I925-L930 HydrophobicContact CD1-CG 4.26Å; I925-L930 HydrophobicContact CG1-CD2 3.86Å; I925-L930 HydrophobicContact CG2-CB 4.19Å; I925-L930 HydrophobicContact CG2-CD2 4.13Å; I925-L930 HydrophobicContact CG2-CG 4.42Å; I925-I931 HydrophobicContact CG2-CD1 4.19Å; I925-I931 HydrophobicContact CG2-CG1 3.67Å; I925-K960 PolarHBondContact O-NZ 3.17Å | ||
| 926 | A | 74.3 | Confident | 84.6 | Confident | 96 Ų | 96 | 51.6 Ų | 51.6 | 79% | 0.793 | 28% | 0.283 | S | S | * | . | trans | -111 | -19.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K924 | K924-A926 PolarHBondContact O-N 3.35Š| ||
| 927 | D | 80 | Confident | 84.2 | Confident | 84 Ų | 84 | 49.1 Ų | 49.1 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | trans | -79.8 | 123.1 | -178.4 | -169.4 | -5.2 | 0 | 0 | 0 | 111.5 | N929 L930 I931 | D927-N929 PolarHBondContact O-N 3.45Å; D927-N929 WeakPolarHBondContact OD1-CB 3.38Å; D927-N929 PolarHBondContact OD1-N 3.18Å; D927-N929 PolarHBondContact OD1-ND2 3.35Å; D927-L930 PolarHBondContact O-N 2.94Å; D927-I931 PolarHBondContact O-N 3.15Å | ||
| 928 | R | 76.6 | Confident | 83.8 | Confident | 172 Ų | 172 | 53.2 Ų | 53.2 | 65% | 0.649 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.8 | -25.8 | 176.7 | -70.6 | -174.9 | 174.2 | -161.6 | -1.8 | 112.9 | L930 N932 | R928-L930 VanDerWaalsContact C-N 3.34Å; R928-N932 PolarHBondContact O-N 3.18Å; R928-N932 PolarHBondContact O-ND2 3.09Å |
| 929 | N | 80.5 | Confident | 83.4 | Confident | 122 Ų | 122 | 54.6 Ų | 54.6 | 65% | 0.652 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -68.7 | -35.9 | 178.1 | -64.7 | -38.7 | 0 | 0 | 0 | 111.6 | D927 N932 A933 | D927-N929 PolarHBondContact O-N 3.45Å; D927-N929 WeakPolarHBondContact OD1-CB 3.38Å; D927-N929 PolarHBondContact OD1-N 3.18Å; D927-N929 PolarHBondContact OD1-ND2 3.35Å; N929-N932 CarbonylContact O-C 2.87Å; N929-N932 PolarHBondContact O-N 3.28Å; N929-A933 PolarHBondContact O-N 3.12Å |
| 930 | L | 79.9 | Confident | 83.3 | Confident | 19 Ų | 19 | 52.1 Ų | 52.1 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -76.3 | -35.2 | 180 | -170.5 | 61.5 | 0 | 0 | 0 | 112.1 | L895 T904 I925 D927 R928 N932 A933 | L895-L930 HydrophobicContact CB-CD2 3.65Å; L895-L930 WeakPolarHBondContact O-CD1 3.4Å; T904-L930 HydrophobicContact CG2-CD1 3.88Å; I925-L930 HydrophobicContact CD1-CD2 3.8Å; I925-L930 HydrophobicContact CD1-CG 4.26Å; I925-L930 HydrophobicContact CG1-CD2 3.86Å; I925-L930 HydrophobicContact CG2-CB 4.19Å; I925-L930 HydrophobicContact CG2-CD2 4.13Å; I925-L930 HydrophobicContact CG2-CG 4.42Å; D927-L930 PolarHBondContact O-N 2.94Å; R928-L930 VanDerWaalsContact C-N 3.34Å; L930-N932 PolarHBondContact O-N 2.96Å; L930-A933 HydrophobicContact CD1-CB 4.46Å; L930-A933 WeakPolarHBondContact O-CB 3.17Å; L930-A933 PolarHBondContact O-N 3.39Å |
| 931 | I | 82.1 | Confident | 83.1 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.8 | -32.7 | 173.8 | -63.9 | 169.6 | 0 | 0 | 0 | 111.2 | I925 D927 P941 L957 K960 A962 | I925-I931 HydrophobicContact CG2-CD1 4.19Å; I925-I931 HydrophobicContact CG2-CG1 3.67Å; D927-I931 PolarHBondContact O-N 3.15Å; I931-P941 WeakPolarHBondContact O-CD 3.39Å; I931-L957 HydrophobicContact CG2-CD2 4Å; I931-K960 HydrophobicContact CD1-CB 3.61Å; I931-K960 WeakPolarHBondContact CD1-O 3.2Å; I931-A962 HydrophobicContact CG2-CB 3.73Å |
| 932 | N | 82.8 | Confident | 82.9 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 13.8 | 179.2 | -66.9 | -66.4 | 0 | 0 | 0 | 113.2 | R928 N929 L930 T934 G961 A962 S963 | R928-N932 PolarHBondContact O-N 3.18Å; R928-N932 PolarHBondContact O-ND2 3.09Å; N929-N932 CarbonylContact O-C 2.87Å; N929-N932 PolarHBondContact O-N 3.28Å; L930-N932 PolarHBondContact O-N 2.96Å; N932-T934 PolarHBondContact O-N 2.9Å; N932-G961 PolarHBondContact ND2-O 2.77Å; N932-A962 WeakPolarHBondContact OD1-CA 3.41Å; N932-S963 WeakPolarHBondContact OD1-CB 3.3Å; N932-S963 PolarHBondContact OD1-N 3.48Å |
| 933 | A | 84.1 | Confident | 82.8 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | trans | -61.9 | 138 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | T904 H907 N929 L930 T940 P941 | T904-A933 HydrophobicContact CG2-CB 4.31Å; H907-A933 PolarHBondContact CE1-O 2.93Å; H907-A933 PolarHBondContact NE2-O 3.33Å; N929-A933 PolarHBondContact O-N 3.12Å; L930-A933 HydrophobicContact CD1-CB 4.46Å; L930-A933 WeakPolarHBondContact O-CB 3.17Å; L930-A933 PolarHBondContact O-N 3.39Å; A933-T940 WeakPolarHBondContact O-CA 3.45Å; A933-P941 WeakPolarHBondContact O-CD 3.26Å | ||
| 934 | T | 85.2 | Confident | 82.7 | Confident | 61 Ų | 61 | 45.9 Ų | 45.9 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | trans | -104 | 135.9 | 178.1 | 55.3 | 0 | 0 | 0 | 0 | 110.5 | N932 Q939 T940 | N932-T934 PolarHBondContact O-N 2.9Å; T934-Q939 WeakPolarHBondContact CA-O 3.38Å; T934-T940 HydrophobicContact CG2-CG2 3.98Å | ||
| 935 | N | 85.8 | Confident | 82.8 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 8% | 0.08 | 24% | 0.236 | C | C | . | . | trans | -75 | -174.8 | 168.7 | 71.8 | 4.5 | 0 | 0 | 0 | 112.1 | N903 A937 L938 Q939 | N903-N935 WeakPolarHBondContact OD1-CB 3.2Å; N903-N935 PolarHBondContact OD1-ND2 2.71Å; N935-A937 PolarHBondContact O-N 3.03Å; N935-A937 WeakPolarHBondContact OD1-CA 3.34Å; N935-A937 PolarHBondContact OD1-N 2.98Å; N935-L938 PolarHBondContact O-N 3.28Å; N935-L938 PolarHBondContact OD1-N 3.43Å; N935-Q939 PolarHBondContact N-O 3.15Å; N935-Q939 WeakPolarHBondContact OD1-CB 3.46Å; N935-Q939 PolarHBondContact OD1-N 2.9Å; N935-Q939 PolarHBondContact OD1-O 2.9Å | ||
| 936 | A | 85.3 | Confident | 82.8 | Confident | 55 Ų | 55 | 42.5 Ų | 42.5 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -29 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E901 L938 | E901-A936 WeakPolarHBondContact O-CB 3.28Å; E901-A936 PolarHBondContact O-N 3.16Å; A936-L938 VanDerWaalsContact C-N 3.26Å; A936-L938 PolarHBondContact O-N 3.07Å |
| 937 | A | 81.7 | Confident | 83.3 | Confident | 31 Ų | 31 | 46.4 Ų | 46.4 | 26% | 0.256 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 16.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | N935 Q939 E969 | N935-A937 PolarHBondContact O-N 3.03Å; N935-A937 WeakPolarHBondContact OD1-CA 3.34Å; N935-A937 PolarHBondContact OD1-N 2.98Å; A937-Q939 HydrophobicContact CB-CG 4.29Å; A937-Q939 PolarHBondContact O-N 2.94Å; A937-Q939 VanDerWaalsContact O-N 3.08Å; A937-E969 WeakPolarHBondContact O-CG 3.39Å; A937-E969 PolarHBondContact O-N 3.39Å |
| 938 | L | 81.3 | Confident | 83.5 | Confident | 86 Ų | 86 | 45.9 Ų | 45.9 | 45% | 0.45 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 58.1 | 16.7 | -174.9 | -58.4 | 175.4 | 0 | 0 | 0 | 114.8 | N935 A936 E969 | N935-L938 PolarHBondContact O-N 3.28Å; N935-L938 PolarHBondContact OD1-N 3.43Å; A936-L938 VanDerWaalsContact C-N 3.26Å; A936-L938 PolarHBondContact O-N 3.07Å; L938-E969 HydrophobicContact CB-CG 4.14Å; L938-E969 HydrophobicContact CD1-CG 3.89Å; L938-E969 HydrophobicContact CG-CG 3.96Å |
| 939 | Q | 83 | Confident | 83.8 | Confident | 29 Ų | 29 | 39.8 Ų | 39.8 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | trans | -83.3 | 132.4 | 179 | -66.1 | 177 | -26.2 | 0 | 0 | 110.3 | H907 T934 N935 A937 H943 V944 D968 | H907-Q939 PolarHBondContact NE2-O 2.8Å; H907-Q939 VanDerWaalsContact NE2-O 3.14Å; T934-Q939 WeakPolarHBondContact CA-O 3.38Å; N935-Q939 PolarHBondContact N-O 3.15Å; N935-Q939 WeakPolarHBondContact OD1-CB 3.46Å; N935-Q939 PolarHBondContact OD1-N 2.9Å; N935-Q939 PolarHBondContact OD1-O 2.9Å; A937-Q939 HydrophobicContact CB-CG 4.29Å; A937-Q939 PolarHBondContact O-N 2.94Å; A937-Q939 VanDerWaalsContact O-N 3.08Å; Q939-H943 HydrophobicContact CB-CB 4.16Å; Q939-H943 HydrophobicContact CG-CB 4.42Å; Q939-V944 HydrophobicContact CB-CG2 4.18Å; Q939-D968 HydrophobicContact CG-CB 3.76Å | ||
| 940 | T | 86.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | trans | -84.6 | 162.8 | 167.8 | 70 | 0 | 0 | 0 | 0 | 110.7 | A933 T934 L942 H943 V944 A966 | A933-T940 WeakPolarHBondContact O-CA 3.45Å; T934-T940 HydrophobicContact CG2-CG2 3.98Å; T940-L942 PolarHBondContact O-N 3.28Å; T940-H943 PolarHBondContact N-ND1 2.97Å; T940-H943 WeakPolarHBondContact O-CB 3.49Å; T940-H943 PolarHBondContact O-N 2.99Å; T940-H943 PolarHBondContact OG1-CE1 3.47Å; T940-H943 PolarHBondContact OG1-ND1 3.41Å; T940-V944 PolarHBondContact O-N 3.28Å; T940-A966 HydrophobicContact CG2-CB 3.95Å | ||
| 941 | P | 84.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.2 | -31.5 | 175.6 | -26 | 34.7 | 0 | 0 | 0 | 112.9 | L906 H907 I931 A933 V944 A945 L957 | L906-P941 HydrophobicContact CD2-CB 3.81Å; L906-P941 HydrophobicContact CD2-CG 3.85Å; L906-P941 HydrophobicContact CG-CB 3.98Å; L906-P941 HydrophobicContact CG-CG 4.25Å; H907-P941 VanDerWaalsContact NE2-CD 3.28Å; H907-P941 WeakPolarHBondContact NE2-CD 3.1Å; I931-P941 WeakPolarHBondContact O-CD 3.39Å; A933-P941 WeakPolarHBondContact O-CD 3.26Å; P941-V944 PolarHBondContact O-N 2.89Å; P941-A945 VanDerWaalsContact O-CB 3.25Å; P941-A945 WeakPolarHBondContact O-CB 2.95Å; P941-A945 PolarHBondContact O-N 3.01Å; P941-L957 HydrophobicContact CB-CD1 4.3Å; P941-L957 HydrophobicContact CB-CD2 4.31Å |
| 942 | L | 85.5 | Confident | 84.7 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 175.4 | -176 | 66.4 | 0 | 0 | 0 | 112.4 | T940 A946 V954 L957 L958 A962 | T940-L942 PolarHBondContact O-N 3.28Å; L942-A946 WeakPolarHBondContact O-CB 3.45Å; L942-A946 PolarHBondContact O-N 2.94Å; L942-V954 HydrophobicContact CD1-CB 4.49Å; L942-V954 HydrophobicContact CD1-CG1 3.98Å; L942-V954 HydrophobicContact CD1-CG2 4.42Å; L942-L957 HydrophobicContact CB-CD1 4.47Å; L942-L957 HydrophobicContact CD1-CB 4.18Å; L942-L957 HydrophobicContact CD1-CD1 4.43Å; L942-L958 HydrophobicContact CD1-CD2 4.27Å; L942-L958 HydrophobicContact CD1-CG 4.22Å; L942-L958 HydrophobicContact CD2-CD2 4.01Å; L942-A962 HydrophobicContact CB-CB 4.27Å; L942-A962 HydrophobicContact CD2-CB 4.03Å |
| 943 | H | 84.1 | Confident | 84.9 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 6% | 0.06 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -45.2 | 176.9 | -67.9 | 92.1 | 0 | 0 | 0 | 110.9 | Q939 T940 R947 A966 S972 G974 | Q939-H943 HydrophobicContact CB-CB 4.16Å; Q939-H943 HydrophobicContact CG-CB 4.42Å; T940-H943 PolarHBondContact N-ND1 2.97Å; T940-H943 WeakPolarHBondContact O-CB 3.49Å; T940-H943 PolarHBondContact O-N 2.99Å; T940-H943 PolarHBondContact OG1-CE1 3.47Å; T940-H943 PolarHBondContact OG1-ND1 3.41Å; H943-R947 VanDerWaalsContact O-CB 3.3Å; H943-R947 WeakPolarHBondContact O-CB 3.39Å; H943-R947 PolarHBondContact O-N 3.05Å; H943-A966 PolarHBondContact CE1-O 3.19Å; H943-A966 VanDerWaalsContact CE1-O 3.26Å; H943-A966 PolarHBondContact NE2-O 3.43Å; H943-S972 PolarHBondContact NE2-O 3.08Å; H943-G974 PolarHBondContact CD2-N 3.46Å; H943-G974 PolarHBondContact NE2-N 3.12Å |
| 944 | V | 84.9 | Confident | 85 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.5 | -45.6 | -178.8 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | C910 S911 Q939 T940 P941 R947 N948 | C910-V944 HydrophobicContact CB-CB 4.25Å; C910-V944 HydrophobicContact CB-CG1 3.97Å; S911-V944 VanDerWaalsContact CA-CG1 3.41Å; Q939-V944 HydrophobicContact CB-CG2 4.18Å; T940-V944 PolarHBondContact O-N 3.28Å; P941-V944 PolarHBondContact O-N 2.89Å; V944-R947 PolarHBondContact O-N 3.31Å; V944-N948 PolarHBondContact O-N 2.92Å; V944-N948 VanDerWaalsContact O-N 3.12Å |
| 945 | A | 86.1 | Confident | 85 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C910 P941 N948 G949 L950 V953 V954 L957 | C910-A945 HydrophobicContact CB-CB 4.18Å; P941-A945 VanDerWaalsContact O-CB 3.25Å; P941-A945 WeakPolarHBondContact O-CB 2.95Å; P941-A945 PolarHBondContact O-N 3.01Å; A945-N948 PolarHBondContact O-N 2.89Å; A945-G949 PolarHBondContact O-N 2.85Å; A945-G949 VanDerWaalsContact O-N 3.14Å; A945-L950 HydrophobicContact CB-CB 4.35Å; A945-L950 HydrophobicContact CB-CD1 4.46Å; A945-L950 PolarHBondContact O-N 3.33Å; A945-V953 HydrophobicContact CB-CG1 4.24Å; A945-V954 HydrophobicContact CB-CG2 3.82Å; A945-L957 HydrophobicContact CB-CD1 4.09Å |
| 946 | A | 84.5 | Confident | 85.1 | Confident | 33 Ų | 33 | 46.2 Ų | 46.2 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L942 N948 G949 V954 | L942-A946 WeakPolarHBondContact O-CB 3.45Å; L942-A946 PolarHBondContact O-N 2.94Å; A946-N948 VanDerWaalsContact C-N 3.3Å; A946-N948 PolarHBondContact O-N 2.6Å; A946-G949 PolarHBondContact O-N 3.44Å; A946-V954 HydrophobicContact CB-CG2 4.24Å |
| 947 | R | 84.1 | Confident | 85.1 | Confident | 178 Ų | 178 | 43.6 Ų | 43.6 | 67% | 0.672 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -62.5 | -36 | 176.8 | 178.7 | 176.5 | 169.1 | 172.5 | -2.8 | 112.7 | H943 V944 | H943-R947 VanDerWaalsContact O-CB 3.3Å; H943-R947 WeakPolarHBondContact O-CB 3.39Å; H943-R947 PolarHBondContact O-N 3.05Å; V944-R947 PolarHBondContact O-N 3.31Å |
| 948 | N | 84.4 | Confident | 85.2 | Confident | 72 Ų | 72 | 45.9 Ų | 45.9 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 3.5 | -179.9 | -71.6 | -30.7 | 0 | 0 | 0 | 113.9 | C910 S911 V944 A945 A946 L950 | C910-N948 PolarHBondContact O-ND2 3.02Å; S911-N948 VanDerWaalsContact C-ND2 3.34Å; S911-N948 VanDerWaalsContact CA-ND2 3.35Å; S911-N948 WeakPolarHBondContact CA-ND2 3.28Å; S911-N948 PolarHBondContact O-ND2 3.37Å; V944-N948 PolarHBondContact O-N 2.92Å; V944-N948 VanDerWaalsContact O-N 3.12Å; A945-N948 PolarHBondContact O-N 2.89Å; A946-N948 VanDerWaalsContact C-N 3.3Å; A946-N948 PolarHBondContact O-N 2.6Å; N948-L950 HydrophobicContact CB-CG 4.43Å |
| 949 | G | 84.1 | Confident | 85.3 | Confident | 44 Ų | 44 | 45.5 Ų | 45.5 | 45% | 0.454 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 24.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A945 A946 I951 | A945-G949 PolarHBondContact O-N 2.85Å; A945-G949 VanDerWaalsContact O-N 3.14Å; A946-G949 PolarHBondContact O-N 3.44Å; G949-I951 PolarHBondContact O-N 3.46Å |
| 950 | L | 87.4 | Confident | 85.3 | Confident | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.073 | 26% | 0.257 | C | S | . | . | trans | -81.3 | 81.8 | -178.2 | -58.6 | 180 | 0 | 0 | 0 | 111.6 | C910 E915 A945 N948 V952 V953 V954 | C910-L950 HydrophobicContact CB-CD1 4.28Å; E915-L950 HydrophobicContact CB-CD2 4.33Å; A945-L950 HydrophobicContact CB-CB 4.35Å; A945-L950 HydrophobicContact CB-CD1 4.46Å; A945-L950 PolarHBondContact O-N 3.33Å; N948-L950 HydrophobicContact CB-CG 4.43Å; L950-V952 PolarHBondContact O-N 3.32Å; L950-V953 HydrophobicContact CB-CB 3.92Å; L950-V953 HydrophobicContact CB-CG2 3.91Å; L950-V953 HydrophobicContact CD1-CG2 4.27Å; L950-V953 PolarHBondContact O-N 3.19Å; L950-V954 WeakPolarHBondContact O-CB 3.47Å; L950-V954 VanDerWaalsContact O-CG2 3.22Å; L950-V954 WeakPolarHBondContact O-CG2 3.5Å; L950-V954 PolarHBondContact O-N 3.3Å | ||
| 951 | I | 86.2 | Confident | 85 | Confident | 105 Ų | 105 | 48.4 Ų | 48.4 | 54% | 0.538 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | -169.3 | -58.2 | 173.2 | 0 | 0 | 0 | 112.2 | G949 V954 Q955 | G949-I951 PolarHBondContact O-N 3.46Å; I951-V954 PolarHBondContact O-N 3.16Å; I951-Q955 WeakPolarHBondContact O-CG 3.46Å; I951-Q955 PolarHBondContact O-N 3.44Å |
| 952 | V | 88.1 | Confident | 84.8 | Confident | 70 Ų | 70 | 48.8 Ų | 48.8 | 42% | 0.424 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.6 | -41 | -176.2 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | E915 L919 L950 V954 Q955 E956 | E915-V952 WeakPolarHBondContact OE1-CB 3.09Å; E915-V952 VanDerWaalsContact OE1-CG2 3.29Å; E915-V952 WeakPolarHBondContact OE1-CG2 3.15Å; E915-V952 PolarHBondContact OE1-N 3.34Å; L919-V952 HydrophobicContact CD1-CG1 4.11Å; L919-V952 HydrophobicContact CD2-CG1 4.33Å; L950-V952 PolarHBondContact O-N 3.32Å; V952-V954 VanDerWaalsContact C-N 3.34Å; V952-V954 PolarHBondContact O-N 3.08Å; V952-Q955 PolarHBondContact O-N 3.4Å; V952-E956 PolarHBondContact O-N 3.27Å |
| 953 | V | 86.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | 175.3 | -172.3 | 0 | 0 | 0 | 0 | 111.3 | E915 A918 L919 L922 A945 L950 E956 L957 | E915-V953 HydrophobicContact CB-CG2 4.28Å; E915-V953 HydrophobicContact CG-CG2 3.82Å; A918-V953 HydrophobicContact CB-CG1 4.04Å; A918-V953 HydrophobicContact CB-CG2 4.06Å; L919-V953 HydrophobicContact CD2-CG2 4.4Å; L919-V953 HydrophobicContact CG-CG2 4.29Å; L922-V953 HydrophobicContact CD1-CG1 3.75Å; A945-V953 HydrophobicContact CB-CG1 4.24Å; L950-V953 HydrophobicContact CB-CB 3.92Å; L950-V953 HydrophobicContact CB-CG2 3.91Å; L950-V953 HydrophobicContact CD1-CG2 4.27Å; L950-V953 PolarHBondContact O-N 3.19Å; V953-E956 PolarHBondContact O-N 2.85Å; V953-L957 HydrophobicContact CG1-CD1 3.94Å; V953-L957 HydrophobicContact CG1-CG 4.38Å; V953-L957 WeakPolarHBondContact O-CB 3.27Å; V953-L957 VanDerWaalsContact O-CG 3.3Å; V953-L957 WeakPolarHBondContact O-CG 3.31Å; V953-L957 PolarHBondContact O-N 2.9Å |
| 954 | V | 85.8 | Confident | 83.9 | Confident | 31 Ų | 31 | 52.6 Ų | 52.6 | 19% | 0.188 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 176.6 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | L942 A945 A946 L950 I951 V952 L958 | L942-V954 HydrophobicContact CD1-CB 4.49Å; L942-V954 HydrophobicContact CD1-CG1 3.98Å; L942-V954 HydrophobicContact CD1-CG2 4.42Å; A945-V954 HydrophobicContact CB-CG2 3.82Å; A946-V954 HydrophobicContact CB-CG2 4.24Å; L950-V954 WeakPolarHBondContact O-CB 3.47Å; L950-V954 VanDerWaalsContact O-CG2 3.22Å; L950-V954 WeakPolarHBondContact O-CG2 3.5Å; L950-V954 PolarHBondContact O-N 3.3Å; I951-V954 PolarHBondContact O-N 3.16Å; V952-V954 VanDerWaalsContact C-N 3.34Å; V952-V954 PolarHBondContact O-N 3.08Å; V954-L958 HydrophobicContact CG1-CD1 4.08Å; V954-L958 WeakPolarHBondContact O-CB 3.19Å; V954-L958 VanDerWaalsContact O-CG 3.24Å; V954-L958 WeakPolarHBondContact O-CG 3.39Å; V954-L958 PolarHBondContact O-N 3.31Å |
| 955 | Q | 85.6 | Confident | 83.1 | Confident | 121 Ų | 121 | 59.5 Ų | 59.5 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 176.8 | -73.1 | 175.9 | 3.7 | 0 | 0 | 111.8 | I951 V952 L958 A959 | I951-Q955 WeakPolarHBondContact O-CG 3.46Å; I951-Q955 PolarHBondContact O-N 3.44Å; V952-Q955 PolarHBondContact O-N 3.4Å; Q955-L958 PolarHBondContact O-N 2.67Å; Q955-A959 WeakPolarHBondContact O-CB 3.49Å; Q955-A959 PolarHBondContact O-N 3.2Å |
| 956 | E | 86.8 | Confident | 82.3 | Confident | 74 Ų | 74 | 60.7 Ų | 60.7 | 35% | 0.346 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.8 | -40.1 | -179.5 | -169.5 | 58.6 | -152.8 | 0 | 0 | 112.4 | L919 L922 V952 V953 L958 A959 K960 | L919-E956 HydrophobicContact CD2-CB 4.11Å; L919-E956 HydrophobicContact CD2-CG 4.33Å; L922-E956 HydrophobicContact CD1-CG 4.48Å; V952-E956 PolarHBondContact O-N 3.27Å; V953-E956 PolarHBondContact O-N 2.85Å; E956-L958 VanDerWaalsContact C-N 3.32Å; E956-L958 PolarHBondContact O-N 3.31Å; E956-A959 WeakPolarHBondContact O-CB 3.42Å; E956-A959 PolarHBondContact O-N 3.44Å; E956-K960 HydrophobicContact CG-CD 4.46Å; E956-K960 PolarHBondContact O-N 3.49Å; E956-K960 WeakPolarHBondContact OE1-CE 3.32Å |
| 957 | L | 85.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 172.8 | -82 | 168.7 | 0 | 0 | 0 | 111.8 | L906 L922 I931 P941 L942 A945 V953 K960 G961 A962 | L906-L957 HydrophobicContact CD2-CD2 4.22Å; L922-L957 HydrophobicContact CD1-CD2 4.26Å; L922-L957 HydrophobicContact CD1-CG 3.99Å; L922-L957 HydrophobicContact CD2-CD2 3.56Å; L922-L957 HydrophobicContact CD2-CG 4.19Å; I931-L957 HydrophobicContact CG2-CD2 4Å; P941-L957 HydrophobicContact CB-CD1 4.3Å; P941-L957 HydrophobicContact CB-CD2 4.31Å; L942-L957 HydrophobicContact CB-CD1 4.47Å; L942-L957 HydrophobicContact CD1-CB 4.18Å; L942-L957 HydrophobicContact CD1-CD1 4.43Å; A945-L957 HydrophobicContact CB-CD1 4.09Å; V953-L957 HydrophobicContact CG1-CD1 3.94Å; V953-L957 HydrophobicContact CG1-CG 4.38Å; V953-L957 WeakPolarHBondContact O-CB 3.27Å; V953-L957 VanDerWaalsContact O-CG 3.3Å; V953-L957 WeakPolarHBondContact O-CG 3.31Å; V953-L957 PolarHBondContact O-N 2.9Å; L957-K960 PolarHBondContact O-N 3.21Å; L957-G961 PolarHBondContact O-N 3.31Å; L957-A962 HydrophobicContact CB-CB 4.14Å; L957-A962 WeakPolarHBondContact O-CB 3.46Å; L957-A962 PolarHBondContact O-N 3.06Å |
| 958 | L | 83.6 | Confident | 80.9 | Confident | 80 Ų | 80 | 55.3 Ų | 55.3 | 42% | 0.419 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 175.6 | -70.3 | 172 | 0 | 0 | 0 | 111.5 | L942 V954 Q955 E956 K960 G961 V964 | L942-L958 HydrophobicContact CD1-CD2 4.27Å; L942-L958 HydrophobicContact CD1-CG 4.22Å; L942-L958 HydrophobicContact CD2-CD2 4.01Å; V954-L958 HydrophobicContact CG1-CD1 4.08Å; V954-L958 WeakPolarHBondContact O-CB 3.19Å; V954-L958 VanDerWaalsContact O-CG 3.24Å; V954-L958 WeakPolarHBondContact O-CG 3.39Å; V954-L958 PolarHBondContact O-N 3.31Å; Q955-L958 PolarHBondContact O-N 2.67Å; E956-L958 VanDerWaalsContact C-N 3.32Å; E956-L958 PolarHBondContact O-N 3.31Å; L958-K960 VanDerWaalsContact C-N 3.3Å; L958-K960 PolarHBondContact O-N 2.93Å; L958-G961 PolarHBondContact O-N 3.24Å; L958-G961 VanDerWaalsContact O-N 3.16Å; L958-V964 HydrophobicContact CD2-CG2 3.5Å; L958-V964 VanDerWaalsContact CD2-CG2 3.5Å |
| 959 | A | 84.4 | Confident | 80.1 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 65% | 0.645 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.3 | -38.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q955 E956 G961 | Q955-A959 WeakPolarHBondContact O-CB 3.49Å; Q955-A959 PolarHBondContact O-N 3.2Å; E956-A959 WeakPolarHBondContact O-CB 3.42Å; E956-A959 PolarHBondContact O-N 3.44Å; A959-G961 VanDerWaalsContact C-N 3.3Å; A959-G961 PolarHBondContact O-N 3.11Å |
| 960 | K | 82.3 | Confident | 79.1 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 27% | 0.265 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 3 | 178.5 | -66.6 | -179.1 | 174.3 | -102.2 | 0 | 114.5 | L922 I925 I931 E956 L957 L958 | L922-K960 WeakPolarHBondContact O-CE 3.47Å; L922-K960 PolarHBondContact O-NZ 3.22Å; I925-K960 PolarHBondContact O-NZ 3.17Å; I931-K960 HydrophobicContact CD1-CB 3.61Å; I931-K960 WeakPolarHBondContact CD1-O 3.2Å; E956-K960 HydrophobicContact CG-CD 4.46Å; E956-K960 PolarHBondContact O-N 3.49Å; E956-K960 WeakPolarHBondContact OE1-CE 3.32Å; L957-K960 PolarHBondContact O-N 3.21Å; L958-K960 VanDerWaalsContact C-N 3.3Å; L958-K960 PolarHBondContact O-N 2.93Å |
| 961 | G | 79.6 | Confident | 77.7 | Confident | 29 Ų | 29 | 64.2 Ų | 64.2 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | 31 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | N932 L957 L958 A959 | N932-G961 PolarHBondContact ND2-O 2.77Å; L957-G961 PolarHBondContact O-N 3.31Å; L958-G961 PolarHBondContact O-N 3.24Å; L958-G961 VanDerWaalsContact O-N 3.16Å; A959-G961 VanDerWaalsContact C-N 3.3Å; A959-G961 PolarHBondContact O-N 3.11Å |
| 962 | A | 81.5 | Confident | 76.6 | Confident | 9 Ų | 9 | 61.3 Ų | 61.3 | 7% | 0.074 | 36% | 0.364 | C | S | . | . | trans | -61.8 | 132.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I931 N932 L942 L957 V964 | I931-A962 HydrophobicContact CG2-CB 3.73Å; N932-A962 WeakPolarHBondContact OD1-CA 3.41Å; L942-A962 HydrophobicContact CB-CB 4.27Å; L942-A962 HydrophobicContact CD2-CB 4.03Å; L957-A962 HydrophobicContact CB-CB 4.14Å; L957-A962 WeakPolarHBondContact O-CB 3.46Å; L957-A962 PolarHBondContact O-N 3.06Å; A962-V964 PolarHBondContact O-N 3.36Å | ||
| 963 | S | 78.7 | Confident | 75.4 | Confident | 49 Ų | 49 | 60.5 Ų | 60.5 | 34% | 0.343 | 36% | 0.36 | S | S | . | . | trans | -76.6 | 117.6 | 179.9 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | N932 L965 | N932-S963 WeakPolarHBondContact OD1-CB 3.3Å; N932-S963 PolarHBondContact OD1-N 3.48Å; S963-L965 PolarHBondContact O-N 3.26Å; S963-L965 PolarHBondContact OG-N 3.06Å | ||
| 964 | V | 71.3 | Confident | 73.9 | Confident | 48 Ų | 48 | 61.4 Ų | 61.4 | 29% | 0.291 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -11.8 | 174.7 | -167.9 | 0 | 0 | 0 | 0 | 112 | L958 A962 K975 | L958-V964 HydrophobicContact CD2-CG2 3.5Å; L958-V964 VanDerWaalsContact CD2-CG2 3.5Å; A962-V964 PolarHBondContact O-N 3.36Å; V964-K975 HydrophobicContact CG1-CD 4Å; V964-K975 HydrophobicContact CG1-CG 3.98Å |
| 965 | L | 68.2 | Low | 72.3 | Confident | 153 Ų | 153 | 68 Ų | 68 | 80% | 0.801 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -6.8 | -177.2 | -62.8 | 173.5 | 0 | 0 | 0 | 113.3 | S963 | S963-L965 PolarHBondContact O-N 3.26Å; S963-L965 PolarHBondContact OG-N 3.06Å |
| 966 | A | 69.6 | Low | 70.3 | Confident | 25 Ų | 25 | 66 Ų | 66 | 21% | 0.207 | 39% | 0.394 | C | S | . | . | trans | -64.7 | 137.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | T940 H943 | T940-A966 HydrophobicContact CG2-CB 3.95Å; H943-A966 PolarHBondContact CE1-O 3.19Å; H943-A966 VanDerWaalsContact CE1-O 3.26Å; H943-A966 PolarHBondContact NE2-O 3.43Å | ||
| 967 | V | 69.3 | Low | 68.3 | Low | 80 Ų | 80 | 67.7 Ų | 67.7 | 49% | 0.485 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -113.8 | 135.8 | 177.6 | -81 | 0 | 0 | 0 | 0 | 108.9 | T973 | V967-T973 HydrophobicContact CG1-CG2 3.66Å |
| 968 | D | 69.9 | Low | 66.2 | Low | 19 Ų | 19 | 75.3 Ų | 75.3 | 10% | 0.102 | 45% | 0.447 | C | S | . | . | trans | -76.4 | 176.9 | 172.2 | 74.3 | -3.1 | 0 | 0 | 0 | 112.2 | Q939 N970 G971 S972 | Q939-D968 HydrophobicContact CG-CB 3.76Å; D968-N970 PolarHBondContact O-N 3.41Å; D968-N970 WeakPolarHBondContact OD1-CA 3.39Å; D968-N970 WeakPolarHBondContact OD1-CB 3.47Å; D968-N970 PolarHBondContact OD1-N 2.92Å; D968-G971 PolarHBondContact O-N 3.38Å; D968-G971 PolarHBondContact OD1-N 3.35Å; D968-S972 PolarHBondContact N-O 3.44Å; D968-S972 VanDerWaalsContact N-O 3.11Å; D968-S972 WeakPolarHBondContact OD1-CB 3.35Å; D968-S972 PolarHBondContact OD1-N 3.41Å | ||
| 969 | E | 66.8 | Low | 64.1 | Low | 125 Ų | 125 | 77 Ų | 77 | 58% | 0.584 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -20.7 | 176.7 | -82.9 | -177.4 | 165.6 | 0 | 0 | 114.4 | A937 L938 | A937-E969 WeakPolarHBondContact O-CG 3.39Å; A937-E969 PolarHBondContact O-N 3.39Å; L938-E969 HydrophobicContact CB-CG 4.14Å; L938-E969 HydrophobicContact CD1-CG 3.89Å; L938-E969 HydrophobicContact CG-CG 3.96Å |
| 970 | N | 63.4 | Low | 61.6 | Low | 135 Ų | 135 | 77.6 Ų | 77.6 | 72% | 0.722 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 6.9 | 177.9 | -60.4 | -48.4 | 0 | 0 | 0 | 112.9 | D968 S972 | D968-N970 PolarHBondContact O-N 3.41Å; D968-N970 WeakPolarHBondContact OD1-CA 3.39Å; D968-N970 WeakPolarHBondContact OD1-CB 3.47Å; D968-N970 PolarHBondContact OD1-N 2.92Å; N970-S972 PolarHBondContact O-N 2.77Å |
| 971 | G | 59.5 | Low | 59.4 | Low | 56 Ų | 56 | 80.2 Ų | 80.2 | 58% | 0.577 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 71.2 | 13.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | D968 | D968-G971 PolarHBondContact O-N 3.38Å; D968-G971 PolarHBondContact OD1-N 3.35Å |
| 972 | S | 61.8 | Low | 57.1 | Low | 45 Ų | 45 | 83.1 Ų | 83.1 | 32% | 0.315 | 51% | 0.513 | S | S | . | . | trans | -85.7 | 127.7 | 178.9 | -65.3 | 0 | 0 | 0 | 0 | 110.1 | H943 D968 N970 | H943-S972 PolarHBondContact NE2-O 3.08Å; D968-S972 PolarHBondContact N-O 3.44Å; D968-S972 VanDerWaalsContact N-O 3.11Å; D968-S972 WeakPolarHBondContact OD1-CB 3.35Å; D968-S972 PolarHBondContact OD1-N 3.41Å; N970-S972 PolarHBondContact O-N 2.77Å | ||
| 973 | T | 63 | Low | 54.8 | Low | 53 Ų | 53 | 87.4 Ų | 87.4 | 33% | 0.325 | 55% | 0.549 | S | S | . | . | B | Isolated β-bridge | trans | -78.8 | 155.8 | 166.4 | 62.1 | 0 | 0 | 0 | 0 | 109.2 | V967 K975 | V967-T973 HydrophobicContact CG1-CG2 3.66Å; T973-K975 CarbonylContact O-C 3.23Å; T973-K975 PolarHBondContact O-N 2.89Å |
| 974 | G | 55.6 | Low | 52.7 | Low | 19 Ų | 19 | 88.4 Ų | 88.4 | 20% | 0.196 | 57% | 0.567 | C | S | . | * | S | Bend | trans | -56.5 | 4.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | H943 | H943-G974 PolarHBondContact CD2-N 3.46Å; H943-G974 PolarHBondContact NE2-N 3.12Å |
| 975 | K | 52.7 | Low | 50.9 | Low | 169 Ų | 169 | 94.6 Ų | 94.6 | 74% | 0.735 | 59% | 0.593 | S | S | * | * | trans | -107.1 | 83.5 | 164.8 | -73.2 | -179.1 | 171.8 | 176.3 | 0 | 110.2 | V964 T973 | V964-K975 HydrophobicContact CG1-CD 4Å; V964-K975 HydrophobicContact CG1-CG 3.98Å; T973-K975 CarbonylContact O-C 3.23Å; T973-K975 PolarHBondContact O-N 2.89Å | ||
| 976 | S | 43.6 | Very low | 49.4 | Very low | 79 Ų | 79 | 96.5 Ų | 96.5 | 55% | 0.552 | 60% | 0.598 | S | S | * | * | trans | -140.6 | 153.2 | 162.6 | 71.7 | 0 | 0 | 0 | 0 | 110.5 | Q978 | S976-Q978 PolarHBondContact O-N 2.61Š| ||
| 977 | P | 43.6 | Very low | 47.7 | Very low | 110 Ų | 110 | 107.4 Ų | 107.4 | 71% | 0.714 | 63% | 0.633 | S | S | * | * | S | Bend | -99.8 | 101 | -126.2 | 35.2 | -34 | 0 | 0 | 0 | 113.9 | |||
| 978 | Q | 41.2 | Very low | 46 | Very low | 159 Ų | 159 | 112.8 Ų | 112.8 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -130.9 | -6.9 | 158 | -77.4 | -169 | -11.7 | 0 | 0 | 114.1 | S976 A980 | S976-Q978 PolarHBondContact O-N 2.61Å; Q978-A980 VanDerWaalsContact C-N 3.33Å; Q978-A980 PolarHBondContact O-N 3.26Å |
| 979 | T | 39.9 | Very low | 44.3 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 71% | 0.712 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 3.6 | 176.9 | 48.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 980 | A | 32.8 | Very low | 43.2 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -0.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q978 | Q978-A980 VanDerWaalsContact C-N 3.33Å; Q978-A980 PolarHBondContact O-N 3.26Å |
| 981 | S | 34.5 | Very low | 42.1 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -108.8 | -3.6 | -177.4 | 74.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 982 | A | 33.3 | Very low | 41.1 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -116.5 | -12.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G984 | A982-G984 VanDerWaalsContact C-N 3.3Å; A982-G984 PolarHBondContact O-N 2.93Å |
| 983 | A | 32.8 | Very low | 39.9 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 6.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 984 | G | 33.3 | Very low | 38.5 | Very low | 71 Ų | 71 | 138.7 Ų | 138.7 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -1.4 | -176 | 0 | 0 | 0 | 0 | 0 | 116.2 | A982 | A982-G984 VanDerWaalsContact C-N 3.3Å; A982-G984 PolarHBondContact O-N 2.93Å |
| 985 | Q | 33.4 | Very low | 37.3 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -144.2 | 80 | -178.7 | -76.9 | -175.8 | -18 | 0 | 0 | 110.9 | ||
| 986 | Q | 37.1 | Very low | 36.3 | Very low | 194 Ų | 194 | 145.1 Ų | 145.1 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 170.9 | 77.1 | 147.8 | -97.1 | 171 | 7.4 | 0 | 0 | 109.1 | ||
| 987 | R | 34.3 | Very low | 35.7 | Very low | 254 Ų | 254 | 150.2 Ų | 150.2 | 96% | 0.958 | 83% | 0.834 | S | S | * | * | trans | -163.2 | 59.4 | 155.1 | -107.7 | 176.5 | -169.4 | -165.7 | 3.7 | 109.5 | ||||
| 988 | E | 34.5 | Very low | 35 | Very low | 192 Ų | 192 | 153.5 Ų | 153.5 | 90% | 0.897 | 84% | 0.844 | S | S | * | * | trans | -138.2 | 87.1 | 154.6 | -92.7 | -168.5 | 164.7 | 0 | 0 | 107.5 | ||||
| 989 | K | 33.1 | Very low | 34.5 | Very low | 284 Ų | 284 | 153 Ų | 153 | 100% | 1.235 | 85% | 0.853 | S | S | * | * | trans | 167.6 | 0 | 142.6 | -94.1 | 179.8 | -177.1 | -178.4 | 0 | 110 |
Retrieved 989 of 989 residues in 1799.7 ms
(Link to these results)