| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.9 | Very low | 49.4 | Very low | 232 Ų | 232 | 127.2 Ų | 127.2 | 100% | 1.143 | 72% | 0.716 | S | S | * | * | 0 | 114.2 | 0 | -74.1 | -178.4 | -179.2 | 0 | 0 | 107.2 | |||||
| 2 | F | 38.6 | Very low | 50.3 | Low | 212 Ų | 212 | 123 Ų | 123 | 93% | 0.93 | 70% | 0.695 | S | S | * | * | trans | -179.1 | 102.8 | 140.1 | -99.1 | -70 | 0 | 0 | 0 | 104.7 | ||||
| 3 | E | 37.5 | Very low | 52.2 | Low | 178 Ų | 178 | 120.2 Ų | 120.2 | 83% | 0.832 | 68% | 0.677 | S | S | * | * | trans | -61.7 | 136.6 | 179.5 | -62.5 | -166.6 | 153.8 | 0 | 0 | 109.5 | V5 | E3-V5 PolarHBondContact O-N 3.31Å; E3-V5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | P | 52.3 | Low | 54.1 | Low | 112 Ų | 112 | 116.4 Ų | 116.4 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | trans | -66.7 | 117.3 | 171.2 | 28.2 | -29.5 | 0 | 0 | 0 | 106.9 | I6 | P4-I6 PolarHBondContact O-N 3.2Š| ||
| 5 | V | 49.3 | Very low | 56.1 | Low | 137 Ų | 137 | 111.3 Ų | 111.3 | 83% | 0.83 | 64% | 0.637 | S | S | * | * | trans | -49.1 | 113.5 | 165.9 | 171.5 | 0 | 0 | 0 | 0 | 106.4 | E3 G7 | E3-V5 PolarHBondContact O-N 3.31Å; E3-V5 VanDerWaalsContact O-N 3.12Å; V5-G7 PolarHBondContact O-N 3.41Å | ||
| 6 | I | 49.3 | Very low | 58 | Low | 160 Ų | 160 | 107.4 Ų | 107.4 | 82% | 0.821 | 62% | 0.616 | S | S | * | * | trans | -68.7 | 69.7 | -179.8 | -55.5 | 176.9 | 0 | 0 | 0 | 106.9 | P4 N8 | P4-I6 PolarHBondContact O-N 3.2Å; I6-N8 PolarHBondContact O-N 3.22Å | ||
| 7 | G | 50 | Low | 59.9 | Low | 45 Ų | 45 | 106.1 Ų | 106.1 | 46% | 0.464 | 61% | 0.606 | S | S | . | * | trans | -80.7 | 70.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | V5 V9 | V5-G7 PolarHBondContact O-N 3.41Å; G7-V9 WeakPolarHBondContact O-CG2 3.41Å; G7-V9 PolarHBondContact O-N 3.33Å | ||
| 8 | N | 50.7 | Low | 61.7 | Low | 112 Ų | 112 | 109.2 Ų | 109.2 | 60% | 0.599 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 45.2 | 34.2 | 163.7 | -151.3 | 12.2 | 0 | 0 | 0 | 116 | I6 G10 T11 V12 | I6-N8 PolarHBondContact O-N 3.22Å; N8-G10 VanDerWaalsContact C-N 3.29Å; N8-G10 PolarHBondContact O-N 3.09Å; N8-T11 PolarHBondContact ND2-OG1 3.45Å; N8-T11 PolarHBondContact O-N 3.33Å; N8-T11 PolarHBondContact O-OG1 3.08Å; N8-T11 VanDerWaalsContact O-OG1 3.11Å; N8-V12 VanDerWaalsContact O-CG2 3.3Å; N8-V12 WeakPolarHBondContact O-CG2 3.38Å |
| 9 | V | 53.8 | Low | 63.2 | Low | 75 Ų | 75 | 109.7 Ų | 109.7 | 46% | 0.455 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.3 | -33.5 | -166.8 | 172.5 | 0 | 0 | 0 | 0 | 112.3 | G7 T11 V12 D13 | G7-V9 WeakPolarHBondContact O-CG2 3.41Å; G7-V9 PolarHBondContact O-N 3.33Å; V9-T11 VanDerWaalsContact C-N 3.32Å; V9-T11 PolarHBondContact O-N 3.47Å; V9-V12 PolarHBondContact O-N 3.48Å; V9-D13 WeakPolarHBondContact CG1-OD2 3.36Å; V9-D13 VanDerWaalsContact O-CB 3.26Å; V9-D13 WeakPolarHBondContact O-CB 3.39Å; V9-D13 VanDerWaalsContact O-CG 3.32Å; V9-D13 PolarHBondContact O-N 3Å |
| 10 | G | 54.1 | Low | 64.8 | Low | 58 Ų | 58 | 110.5 Ų | 110.5 | 60% | 0.598 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.9 | -30 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N8 S14 | N8-G10 VanDerWaalsContact C-N 3.29Å; N8-G10 PolarHBondContact O-N 3.09Å; G10-S14 WeakPolarHBondContact O-CB 3.48Å; G10-S14 PolarHBondContact O-N 3.35Å; G10-S14 PolarHBondContact O-OG 3.44Å |
| 11 | T | 57.8 | Low | 66.1 | Low | 78 Ų | 78 | 112 Ų | 112 | 48% | 0.479 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -84.6 | -34.9 | 177.1 | 63.5 | 0 | 0 | 0 | 0 | 112 | N8 V9 S14 S15 | N8-T11 PolarHBondContact ND2-OG1 3.45Å; N8-T11 PolarHBondContact O-N 3.33Å; N8-T11 PolarHBondContact O-OG1 3.08Å; N8-T11 VanDerWaalsContact O-OG1 3.11Å; V9-T11 VanDerWaalsContact C-N 3.32Å; V9-T11 PolarHBondContact O-N 3.47Å; T11-S14 PolarHBondContact O-OG 3.19Å; T11-S15 WeakPolarHBondContact O-CB 3.42Å; T11-S15 PolarHBondContact O-N 3.35Å |
| 12 | V | 60.6 | Low | 68.3 | Low | 77 Ų | 77 | 104.7 Ų | 104.7 | 47% | 0.467 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -74.8 | -40.8 | 179.3 | -145.5 | 0 | 0 | 0 | 0 | 110.8 | N8 V9 S15 T16 | N8-V12 VanDerWaalsContact O-CG2 3.3Å; N8-V12 WeakPolarHBondContact O-CG2 3.38Å; V9-V12 PolarHBondContact O-N 3.48Å; V12-S15 PolarHBondContact O-N 2.99Å; V12-T16 WeakPolarHBondContact O-CB 3.48Å; V12-T16 PolarHBondContact O-N 2.98Å; V12-T16 PolarHBondContact O-OG1 3.06Å |
| 13 | D | 74.6 | Confident | 71 | Confident | 86 Ų | 86 | 101 Ų | 101 | 46% | 0.46 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.7 | -46.8 | 178 | -74.4 | -7.5 | 0 | 0 | 0 | 111.3 | V9 S15 T16 D17 | V9-D13 WeakPolarHBondContact CG1-OD2 3.36Å; V9-D13 VanDerWaalsContact O-CB 3.26Å; V9-D13 WeakPolarHBondContact O-CB 3.39Å; V9-D13 VanDerWaalsContact O-CG 3.32Å; V9-D13 PolarHBondContact O-N 3Å; D13-S15 PolarHBondContact O-N 2.91Å; D13-T16 CarbonylContact O-C 3.55Å; D13-T16 PolarHBondContact O-N 3.46Å; D13-D17 WeakPolarHBondContact O-CB 3.49Å; D13-D17 VanDerWaalsContact O-CG 3.3Å; D13-D17 PolarHBondContact O-N 3.33Å |
| 14 | S | 79.2 | Confident | 73.8 | Confident | 68 Ų | 68 | 98.7 Ų | 98.7 | 48% | 0.476 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 175.6 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | G10 T11 T16 D17 R18 | G10-S14 WeakPolarHBondContact O-CB 3.48Å; G10-S14 PolarHBondContact O-N 3.35Å; G10-S14 PolarHBondContact O-OG 3.44Å; T11-S14 PolarHBondContact O-OG 3.19Å; S14-T16 VanDerWaalsContact C-N 3.33Å; S14-D17 PolarHBondContact O-N 3.43Å; S14-R18 VanDerWaalsContact O-CB 3.3Å; S14-R18 WeakPolarHBondContact O-CB 3.09Å; S14-R18 PolarHBondContact O-N 3.26Å |
| 15 | S | 83.5 | Confident | 75.9 | Confident | 39 Ų | 39 | 100.1 Ų | 100.1 | 27% | 0.273 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 173.5 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | T11 V12 D13 K19 | T11-S15 WeakPolarHBondContact O-CB 3.42Å; T11-S15 PolarHBondContact O-N 3.35Å; V12-S15 PolarHBondContact O-N 2.99Å; D13-S15 PolarHBondContact O-N 2.91Å; S15-K19 VanDerWaalsContact O-CG 3.28Å; S15-K19 WeakPolarHBondContact O-CG 3.46Å; S15-K19 PolarHBondContact O-N 3.49Å |
| 16 | T | 86.8 | Confident | 78.2 | Confident | 50 Ų | 50 | 97 Ų | 97 | 31% | 0.307 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 177.7 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | V12 D13 S14 K19 K20 | V12-T16 WeakPolarHBondContact O-CB 3.48Å; V12-T16 PolarHBondContact O-N 2.98Å; V12-T16 PolarHBondContact O-OG1 3.06Å; D13-T16 CarbonylContact O-C 3.55Å; D13-T16 PolarHBondContact O-N 3.46Å; S14-T16 VanDerWaalsContact C-N 3.33Å; T16-K19 WeakPolarHBondContact O-CB 3.14Å; T16-K19 PolarHBondContact O-N 3.35Å; T16-K20 VanDerWaalsContact O-CG 3.31Å; T16-K20 WeakPolarHBondContact O-CG 3.47Å; T16-K20 PolarHBondContact O-N 3Å |
| 17 | D | 91 | Very high | 80.6 | Confident | 84 Ų | 84 | 92.2 Ų | 92.2 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.1 | -38.9 | 176.8 | -73 | -16.9 | 0 | 0 | 0 | 111.8 | D13 S14 K19 K20 Q21 | D13-D17 WeakPolarHBondContact O-CB 3.49Å; D13-D17 VanDerWaalsContact O-CG 3.3Å; D13-D17 PolarHBondContact O-N 3.33Å; S14-D17 PolarHBondContact O-N 3.43Å; D17-K19 VanDerWaalsContact C-N 3.34Å; D17-K19 PolarHBondContact O-N 3.37Å; D17-K20 PolarHBondContact O-N 2.85Å; D17-K20 IonicContact OD1-NZ 3.13Å; D17-K20 PolarHBondContact OD1-NZ 2.97Å; D17-Q21 WeakPolarHBondContact O-CB 3.36Å; D17-Q21 PolarHBondContact O-N 2.92Å |
| 18 | R | 90.9 | Very high | 82.8 | Confident | 162 Ų | 162 | 96.9 Ų | 96.9 | 61% | 0.611 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.3 | -43.9 | 170.2 | -173.2 | 173.7 | 63.8 | 108 | -0.5 | 111.4 | S14 Q21 V22 | S14-R18 VanDerWaalsContact O-CB 3.3Å; S14-R18 WeakPolarHBondContact O-CB 3.09Å; S14-R18 PolarHBondContact O-N 3.26Å; R18-Q21 PolarHBondContact O-N 2.92Å; R18-V22 VanDerWaalsContact O-CG2 3.32Å; R18-V22 WeakPolarHBondContact O-CG2 3.4Å; R18-V22 PolarHBondContact O-N 3Å |
| 19 | K | 91.9 | Very high | 85.1 | Confident | 120 Ų | 120 | 97.3 Ų | 97.3 | 52% | 0.522 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 174 | -73.8 | 172.9 | -173.5 | 178.4 | 0 | 111.2 | S15 T16 D17 Q21 V22 H23 | S15-K19 VanDerWaalsContact O-CG 3.28Å; S15-K19 WeakPolarHBondContact O-CG 3.46Å; S15-K19 PolarHBondContact O-N 3.49Å; T16-K19 WeakPolarHBondContact O-CB 3.14Å; T16-K19 PolarHBondContact O-N 3.35Å; D17-K19 VanDerWaalsContact C-N 3.34Å; D17-K19 PolarHBondContact O-N 3.37Å; K19-Q21 VanDerWaalsContact C-N 3.32Å; K19-Q21 PolarHBondContact O-N 3.3Å; K19-V22 PolarHBondContact O-N 3.49Å; K19-H23 PolarHBondContact O-CD2 2.91Å; K19-H23 PolarHBondContact O-N 3.49Å |
| 20 | K | 93.5 | Very high | 87.2 | Confident | 125 Ų | 125 | 99.9 Ų | 99.9 | 54% | 0.543 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.3 | -44.4 | 176.6 | -71.9 | 172.2 | -168.8 | 152.5 | 0 | 111.6 | T16 D17 H23 L24 | T16-K20 VanDerWaalsContact O-CG 3.31Å; T16-K20 WeakPolarHBondContact O-CG 3.47Å; T16-K20 PolarHBondContact O-N 3Å; D17-K20 PolarHBondContact O-N 2.85Å; D17-K20 IonicContact OD1-NZ 3.13Å; D17-K20 PolarHBondContact OD1-NZ 2.97Å; K20-H23 PolarHBondContact O-N 2.8Å; K20-L24 WeakPolarHBondContact O-CB 3.39Å; K20-L24 PolarHBondContact O-N 3.37Å |
| 21 | Q | 93.4 | Very high | 89.3 | Confident | 142 Ų | 142 | 104.3 Ų | 104.3 | 66% | 0.664 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.8 | -43.2 | 178.8 | -170.2 | -178 | 16.2 | 0 | 0 | 111.8 | D17 R18 K19 L24 K25 | D17-Q21 WeakPolarHBondContact O-CB 3.36Å; D17-Q21 PolarHBondContact O-N 2.92Å; R18-Q21 PolarHBondContact O-N 2.92Å; K19-Q21 VanDerWaalsContact C-N 3.32Å; K19-Q21 PolarHBondContact O-N 3.3Å; Q21-L24 PolarHBondContact O-N 2.94Å; Q21-K25 WeakPolarHBondContact O-CB 3.32Å; Q21-K25 PolarHBondContact O-N 3.41Å |
| 22 | V | 94.9 | Very high | 91.2 | Very high | 79 Ų | 79 | 104.9 Ų | 104.9 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 174.5 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | R18 K19 L24 K25 C26 | R18-V22 VanDerWaalsContact O-CG2 3.32Å; R18-V22 WeakPolarHBondContact O-CG2 3.4Å; R18-V22 PolarHBondContact O-N 3Å; K19-V22 PolarHBondContact O-N 3.49Å; V22-L24 VanDerWaalsContact C-N 3.35Å; V22-L24 PolarHBondContact O-N 3.39Å; V22-K25 WeakPolarHBondContact O-CB 3.46Å; V22-K25 PolarHBondContact O-N 3.28Å; V22-C26 PolarHBondContact O-N 3.2Å; V22-C26 PolarHBondContact O-SG 3.42Å |
| 23 | H | 96.6 | Very high | 93 | Very high | 134 Ų | 134 | 104.3 Ų | 104.3 | 62% | 0.62 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.7 | -44.2 | 176.3 | -81.7 | -67.7 | 0 | 0 | 0 | 112.3 | K19 K20 K25 C26 E27 | K19-H23 PolarHBondContact O-CD2 2.91Å; K19-H23 PolarHBondContact O-N 3.49Å; K20-H23 PolarHBondContact O-N 2.8Å; H23-K25 VanDerWaalsContact C-N 3.35Å; H23-K25 PolarHBondContact O-N 3.38Å; H23-C26 PolarHBondContact O-N 3.18Å; H23-E27 WeakPolarHBondContact O-CB 3.45Å; H23-E27 PolarHBondContact O-N 2.96Å |
| 24 | L | 96.1 | Very high | 94.1 | Very high | 130 Ų | 130 | 103.9 Ų | 103.9 | 68% | 0.681 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.1 | -40.2 | 177.3 | -174.2 | 62.5 | 0 | 0 | 0 | 111.8 | K20 Q21 V22 E27 K28 | K20-L24 WeakPolarHBondContact O-CB 3.39Å; K20-L24 PolarHBondContact O-N 3.37Å; Q21-L24 PolarHBondContact O-N 2.94Å; V22-L24 VanDerWaalsContact C-N 3.35Å; V22-L24 PolarHBondContact O-N 3.39Å; L24-E27 PolarHBondContact O-N 3.11Å; L24-K28 WeakPolarHBondContact O-CB 2.85Å; L24-K28 PolarHBondContact O-N 2.94Å |
| 25 | K | 96.9 | Very high | 94.8 | Very high | 142 Ų | 142 | 106.3 Ų | 106.3 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.5 | -49 | 173.8 | -177 | -178.3 | 177.3 | -177.6 | 0 | 111.1 | Q21 V22 H23 E27 K28 M29 | Q21-K25 WeakPolarHBondContact O-CB 3.32Å; Q21-K25 PolarHBondContact O-N 3.41Å; V22-K25 WeakPolarHBondContact O-CB 3.46Å; V22-K25 PolarHBondContact O-N 3.28Å; H23-K25 VanDerWaalsContact C-N 3.35Å; H23-K25 PolarHBondContact O-N 3.38Å; K25-E27 PolarHBondContact O-N 2.9Å; K25-K28 PolarHBondContact O-N 2.98Å; K25-M29 HydrophobicContact CG-SD 4.41Å; K25-M29 WeakPolarHBondContact O-CG 3.02Å; K25-M29 PolarHBondContact O-N 3.32Å |
| 26 | C | 97.8 | Very high | 95.5 | Very high | 72 Ų | 72 | 107.8 Ų | 107.8 | 49% | 0.486 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 178 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | V22 H23 K28 M29 R30 | V22-C26 PolarHBondContact O-N 3.2Å; V22-C26 PolarHBondContact O-SG 3.42Å; H23-C26 PolarHBondContact O-N 3.18Å; C26-K28 PolarHBondContact O-N 2.93Å; C26-M29 PolarHBondContact O-N 3.47Å; C26-R30 PolarHBondContact O-N 3.37Å |
| 27 | E | 98.1 | Very high | 95.8 | Very high | 58 Ų | 58 | 106.6 Ų | 106.6 | 27% | 0.271 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 177.7 | 177 | 59 | -170 | 0 | 0 | 111.9 | H23 L24 K25 R30 R31 | H23-E27 WeakPolarHBondContact O-CB 3.45Å; H23-E27 PolarHBondContact O-N 2.96Å; L24-E27 PolarHBondContact O-N 3.11Å; K25-E27 PolarHBondContact O-N 2.9Å; E27-R30 PolarHBondContact O-N 2.91Å; E27-R30 IonicContact OE1-CZ 3.73Å; E27-R30 IonicContact OE1-NE 3.86Å; E27-R30 IonicContact OE1-NH2 3.18Å; E27-R30 PolarHBondContact OE1-NH2 3.11Å; E27-R30 IonicContact OE2-CZ 3.38Å; E27-R30 IonicContact OE2-NE 2.78Å; E27-R30 PolarHBondContact OE2-NE 3.49Å; E27-R30 IonicContact OE2-NH2 2.78Å; E27-R30 PolarHBondContact OE2-NH2 3.39Å; E27-R30 VanDerWaalsContact OE2-NH2 3.13Å; E27-R31 WeakPolarHBondContact O-CG 3.11Å; E27-R31 PolarHBondContact O-N 2.9Å; E27-R31 IonicContact OE1-CZ 2.8Å; E27-R31 IonicContact OE1-NE 2.88Å; E27-R31 PolarHBondContact OE1-NE 3.01Å; E27-R31 IonicContact OE1-NH2 2.83Å; E27-R31 PolarHBondContact OE1-NH2 3.34Å |
| 28 | K | 97.8 | Very high | 95.9 | Very high | 144 Ų | 144 | 105 Ų | 105 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -46.6 | 172.4 | -173.7 | 176.5 | 179.6 | 179.7 | 0 | 111 | L24 K25 C26 R30 R31 E32 | L24-K28 WeakPolarHBondContact O-CB 2.85Å; L24-K28 PolarHBondContact O-N 2.94Å; K25-K28 PolarHBondContact O-N 2.98Å; C26-K28 PolarHBondContact O-N 2.93Å; K28-R30 VanDerWaalsContact C-N 3.34Å; K28-R30 PolarHBondContact O-N 3.49Å; K28-R31 PolarHBondContact O-N 3.33Å; K28-E32 WeakPolarHBondContact O-CG 3.11Å; K28-E32 PolarHBondContact O-N 2.87Å |
| 29 | M | 97.9 | Very high | 95.9 | Very high | 121 Ų | 121 | 101.3 Ų | 101.3 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.4 | -41.6 | 177.2 | -70.1 | -179.2 | 65.8 | 0 | 0 | 112.2 | K25 C26 R31 E32 A33 | K25-M29 HydrophobicContact CG-SD 4.41Å; K25-M29 WeakPolarHBondContact O-CG 3.02Å; K25-M29 PolarHBondContact O-N 3.32Å; C26-M29 PolarHBondContact O-N 3.47Å; M29-R31 PolarHBondContact O-N 3.22Å; M29-E32 PolarHBondContact O-N 3.45Å; M29-A33 WeakPolarHBondContact O-CB 3.29Å; M29-A33 PolarHBondContact O-N 3.12Å |
| 30 | R | 98.3 | Very high | 96 | Very high | 128 Ų | 128 | 101.1 Ų | 101.1 | 48% | 0.483 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 175.1 | -169.4 | -173.8 | 70.8 | 85.5 | 1.8 | 111.8 | C26 E27 K28 A33 I34 | C26-R30 PolarHBondContact O-N 3.37Å; E27-R30 PolarHBondContact O-N 2.91Å; E27-R30 IonicContact OE1-CZ 3.73Å; E27-R30 IonicContact OE1-NE 3.86Å; E27-R30 IonicContact OE1-NH2 3.18Å; E27-R30 PolarHBondContact OE1-NH2 3.11Å; E27-R30 IonicContact OE2-CZ 3.38Å; E27-R30 IonicContact OE2-NE 2.78Å; E27-R30 PolarHBondContact OE2-NE 3.49Å; E27-R30 IonicContact OE2-NH2 2.78Å; E27-R30 PolarHBondContact OE2-NH2 3.39Å; E27-R30 VanDerWaalsContact OE2-NH2 3.13Å; K28-R30 VanDerWaalsContact C-N 3.34Å; K28-R30 PolarHBondContact O-N 3.49Å; R30-A33 PolarHBondContact O-N 3.44Å; R30-I34 HydrophobicContact CG-CD1 4.29Å; R30-I34 WeakPolarHBondContact O-CG1 3.33Å; R30-I34 PolarHBondContact O-N 3.33Å |
| 31 | R | 98 | Very high | 95.8 | Very high | 152 Ų | 152 | 97.5 Ų | 97.5 | 57% | 0.574 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.2 | -43.7 | 177.6 | -74.1 | 176.2 | -173.5 | -95.6 | -6.4 | 112.5 | E27 K28 M29 I34 K35 | E27-R31 WeakPolarHBondContact O-CG 3.11Å; E27-R31 PolarHBondContact O-N 2.9Å; E27-R31 IonicContact OE1-CZ 2.8Å; E27-R31 IonicContact OE1-NE 2.88Å; E27-R31 PolarHBondContact OE1-NE 3.01Å; E27-R31 IonicContact OE1-NH2 2.83Å; E27-R31 PolarHBondContact OE1-NH2 3.34Å; K28-R31 PolarHBondContact O-N 3.33Å; M29-R31 PolarHBondContact O-N 3.22Å; R31-I34 PolarHBondContact O-N 3.25Å; R31-K35 WeakPolarHBondContact O-CB 3.43Å; R31-K35 PolarHBondContact O-N 2.91Å |
| 32 | E | 98.1 | Very high | 95.5 | Very high | 89 Ų | 89 | 95.9 Ų | 95.9 | 42% | 0.416 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 176 | -67.2 | -51.7 | 134.3 | 0 | 0 | 111.1 | K28 M29 I34 K35 V36 | K28-E32 WeakPolarHBondContact O-CG 3.11Å; K28-E32 PolarHBondContact O-N 2.87Å; M29-E32 PolarHBondContact O-N 3.45Å; E32-I34 VanDerWaalsContact C-N 3.35Å; E32-I34 PolarHBondContact O-N 3.45Å; E32-K35 PolarHBondContact O-N 3.21Å; E32-V36 VanDerWaalsContact O-CG2 3.3Å; E32-V36 WeakPolarHBondContact O-CG2 3.34Å; E32-V36 PolarHBondContact O-N 2.97Å |
| 33 | A | 98 | Very high | 95.1 | Very high | 65 Ų | 65 | 98.6 Ų | 98.6 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M29 R30 V36 G37 | M29-A33 WeakPolarHBondContact O-CB 3.29Å; M29-A33 PolarHBondContact O-N 3.12Å; R30-A33 PolarHBondContact O-N 3.44Å; A33-V36 PolarHBondContact O-N 3.4Å; A33-G37 PolarHBondContact O-N 2.99Å |
| 34 | I | 96.7 | Very high | 94.7 | Very high | 77 Ų | 77 | 98.6 Ų | 98.6 | 40% | 0.395 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 175.4 | -70.6 | 168.4 | 0 | 0 | 0 | 110.9 | R30 R31 E32 V36 G37 Y38 | R30-I34 HydrophobicContact CG-CD1 4.29Å; R30-I34 WeakPolarHBondContact O-CG1 3.33Å; R30-I34 PolarHBondContact O-N 3.33Å; R31-I34 PolarHBondContact O-N 3.25Å; E32-I34 VanDerWaalsContact C-N 3.35Å; E32-I34 PolarHBondContact O-N 3.45Å; I34-V36 VanDerWaalsContact C-N 3.34Å; I34-V36 PolarHBondContact O-N 3.03Å; I34-G37 PolarHBondContact O-N 3.48Å; I34-Y38 HydrophobicContact CG2-CD2 3.78Å; I34-Y38 HydrophobicContact CG2-CE2 3.69Å; I34-Y38 VanDerWaalsContact O-CD2 3.3Å; I34-Y38 WeakPolarHBondContact O-CD2 3.05Å; I34-Y38 PolarHBondContact O-N 2.95Å |
| 35 | K | 95.6 | Very high | 94.2 | Very high | 119 Ų | 119 | 93 Ų | 93 | 52% | 0.517 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 178.8 | -177.2 | -177.3 | 174.1 | -169.3 | 0 | 111.7 | R31 E32 Y38 N39 | R31-K35 WeakPolarHBondContact O-CB 3.43Å; R31-K35 PolarHBondContact O-N 2.91Å; E32-K35 PolarHBondContact O-N 3.21Å; K35-Y38 PolarHBondContact O-N 3.26Å; K35-N39 PolarHBondContact O-N 2.94Å; K35-N39 VanDerWaalsContact O-N 3.12Å; K35-N39 PolarHBondContact O-ND2 3.32Å |
| 36 | V | 96.2 | Very high | 93.6 | Very high | 71 Ų | 71 | 89.8 Ų | 89.8 | 43% | 0.43 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.2 | -48.7 | 173.1 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | E32 A33 I34 Y38 N39 E40 | E32-V36 VanDerWaalsContact O-CG2 3.3Å; E32-V36 WeakPolarHBondContact O-CG2 3.34Å; E32-V36 PolarHBondContact O-N 2.97Å; A33-V36 PolarHBondContact O-N 3.4Å; I34-V36 VanDerWaalsContact C-N 3.34Å; I34-V36 PolarHBondContact O-N 3.03Å; V36-Y38 VanDerWaalsContact C-N 3.29Å; V36-Y38 PolarHBondContact O-N 3.46Å; V36-N39 WeakPolarHBondContact O-CA 3.49Å; V36-N39 WeakPolarHBondContact O-CB 3.41Å; V36-N39 PolarHBondContact O-N 3.35Å; V36-E40 HydrophobicContact CG1-CG 4.28Å; V36-E40 WeakPolarHBondContact CG1-OE1 3.42Å; V36-E40 WeakPolarHBondContact O-CG 3.18Å; V36-E40 PolarHBondContact O-N 3.38Å |
| 37 | G | 94.2 | Very high | 92.6 | Very high | 24 Ų | 24 | 92.5 Ų | 92.5 | 25% | 0.247 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -58.8 | -36.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A33 I34 L41 | A33-G37 PolarHBondContact O-N 2.99Å; I34-G37 PolarHBondContact O-N 3.48Å; G37-L41 WeakPolarHBondContact O-CB 3.41Å; G37-L41 VanDerWaalsContact O-CG 3.23Å; G37-L41 WeakPolarHBondContact O-CG 3.25Å; G37-L41 PolarHBondContact O-N 3.02Å |
| 38 | Y | 93.8 | Very high | 91.5 | Very high | 51 Ų | 51 | 98.3 Ų | 98.3 | 20% | 0.2 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 172.7 | -87.4 | -73.3 | 0 | 0 | 0 | 113.2 | I34 K35 V36 K42 N58 I61 L62 | I34-Y38 HydrophobicContact CG2-CD2 3.78Å; I34-Y38 HydrophobicContact CG2-CE2 3.69Å; I34-Y38 VanDerWaalsContact O-CD2 3.3Å; I34-Y38 WeakPolarHBondContact O-CD2 3.05Å; I34-Y38 PolarHBondContact O-N 2.95Å; K35-Y38 PolarHBondContact O-N 3.26Å; V36-Y38 VanDerWaalsContact C-N 3.29Å; V36-Y38 PolarHBondContact O-N 3.46Å; Y38-K42 VanDerWaalsContact O-CB 3.27Å; Y38-K42 WeakPolarHBondContact O-CB 3.37Å; Y38-K42 PolarHBondContact O-N 2.96Å; Y38-N58 HydrophobicContact CD1-CB 4.41Å; Y38-N58 HydrophobicContact CE1-CB 3.64Å; Y38-N58 WeakPolarHBondContact CE1-O 3.46Å; Y38-I61 HydrophobicContact CD1-CB 4.1Å; Y38-I61 HydrophobicContact CD1-CD1 4.05Å; Y38-I61 HydrophobicContact CD1-CG2 3.89Å; Y38-I61 HydrophobicContact CE1-CB 4.35Å; Y38-I61 HydrophobicContact CE1-CG2 4.44Å; Y38-L62 HydrophobicContact CE1-CD1 4.43Å; Y38-L62 HydrophobicContact CE1-CD2 3.96Å; Y38-L62 HydrophobicContact CE1-CG 3.84Å; Y38-L62 WeakPolarHBondContact OH-CD1 3.31Å |
| 39 | N | 91.2 | Very high | 90.1 | Very high | 84 Ų | 84 | 91.7 Ų | 91.7 | 45% | 0.449 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.8 | -45.9 | 175.9 | -70 | -25.7 | 0 | 0 | 0 | 110.9 | K35 V36 L41 K42 D43 | K35-N39 PolarHBondContact O-N 2.94Å; K35-N39 VanDerWaalsContact O-N 3.12Å; K35-N39 PolarHBondContact O-ND2 3.32Å; V36-N39 WeakPolarHBondContact O-CA 3.49Å; V36-N39 WeakPolarHBondContact O-CB 3.41Å; V36-N39 PolarHBondContact O-N 3.35Å; N39-L41 PolarHBondContact O-N 3.25Å; N39-K42 CarbonylContact O-C 3.55Å; N39-K42 WeakPolarHBondContact O-CA 3.47Å; N39-K42 WeakPolarHBondContact O-CB 3.37Å; N39-K42 PolarHBondContact O-N 3.24Å; N39-D43 VanDerWaalsContact O-CG 3.3Å; N39-D43 PolarHBondContact O-N 2.89Å |
| 40 | E | 92.3 | Very high | 88.7 | Confident | 116 Ų | 116 | 87.6 Ų | 87.6 | 54% | 0.542 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 175.6 | -69.1 | 173.5 | 180 | 0 | 0 | 111.9 | V36 K42 D43 M44 | V36-E40 HydrophobicContact CG1-CG 4.28Å; V36-E40 WeakPolarHBondContact CG1-OE1 3.42Å; V36-E40 WeakPolarHBondContact O-CG 3.18Å; V36-E40 PolarHBondContact O-N 3.38Å; E40-K42 VanDerWaalsContact C-N 3.26Å; E40-K42 PolarHBondContact O-N 2.84Å; E40-D43 PolarHBondContact O-N 3.37Å; E40-M44 WeakPolarHBondContact O-CG 3.4Å; E40-M44 PolarHBondContact O-N 3.41Å; E40-M44 VanDerWaalsContact O-N 3.14Å |
| 41 | L | 90.1 | Very high | 87.3 | Confident | 50 Ų | 50 | 85.2 Ų | 85.2 | 26% | 0.262 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 174.7 | -74.5 | 172.1 | 0 | 0 | 0 | 111.9 | G37 N39 M44 L45 I61 L62 | G37-L41 WeakPolarHBondContact O-CB 3.41Å; G37-L41 VanDerWaalsContact O-CG 3.23Å; G37-L41 WeakPolarHBondContact O-CG 3.25Å; G37-L41 PolarHBondContact O-N 3.02Å; N39-L41 PolarHBondContact O-N 3.25Å; L41-M44 HydrophobicContact CD2-CE 3.8Å; L41-M44 PolarHBondContact O-N 3.03Å; L41-L45 VanDerWaalsContact O-CD1 3.31Å; L41-L45 WeakPolarHBondContact O-CD1 3.37Å; L41-L45 VanDerWaalsContact O-CG 3.31Å; L41-L45 WeakPolarHBondContact O-CG 3.31Å; L41-L45 PolarHBondContact O-N 3.25Å; L41-I61 HydrophobicContact CB-CG2 3.6Å; L41-I61 HydrophobicContact CD1-CG2 4.3Å; L41-L62 HydrophobicContact CD1-CD2 4.13Å |
| 42 | K | 88 | Confident | 86.1 | Confident | 107 Ų | 107 | 85 Ų | 85 | 47% | 0.465 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.6 | -37.1 | 177.2 | -171.5 | -176.4 | 174 | -166.2 | 0 | 112.3 | Y38 N39 E40 M44 L45 L56 | Y38-K42 VanDerWaalsContact O-CB 3.27Å; Y38-K42 WeakPolarHBondContact O-CB 3.37Å; Y38-K42 PolarHBondContact O-N 2.96Å; N39-K42 CarbonylContact O-C 3.55Å; N39-K42 WeakPolarHBondContact O-CA 3.47Å; N39-K42 WeakPolarHBondContact O-CB 3.37Å; N39-K42 PolarHBondContact O-N 3.24Å; E40-K42 VanDerWaalsContact C-N 3.26Å; E40-K42 PolarHBondContact O-N 2.84Å; K42-M44 VanDerWaalsContact C-N 3.31Å; K42-L45 WeakPolarHBondContact O-CB 3.44Å; K42-L45 PolarHBondContact O-N 3.4Å; K42-L56 HydrophobicContact CG-CD1 4.25Å |
| 43 | D | 86.6 | Confident | 84.8 | Confident | 136 Ų | 136 | 84.7 Ų | 84.7 | 73% | 0.727 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.2 | -30.4 | 177.4 | -64.4 | -20.7 | 0 | 0 | 0 | 112 | N39 E40 L45 | N39-D43 VanDerWaalsContact O-CG 3.3Å; N39-D43 PolarHBondContact O-N 2.89Å; E40-D43 PolarHBondContact O-N 3.37Å; D43-L45 VanDerWaalsContact C-N 3.26Å; D43-L45 PolarHBondContact O-N 2.67Å |
| 44 | M | 86.2 | Confident | 83.7 | Confident | 134 Ų | 134 | 90.1 Ų | 90.1 | 66% | 0.66 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -11.6 | 173.5 | -68.1 | -169.5 | -70.1 | 0 | 0 | 113.8 | E40 L41 K42 | E40-M44 WeakPolarHBondContact O-CG 3.4Å; E40-M44 PolarHBondContact O-N 3.41Å; E40-M44 VanDerWaalsContact O-N 3.14Å; L41-M44 HydrophobicContact CD2-CE 3.8Å; L41-M44 PolarHBondContact O-N 3.03Å; K42-M44 VanDerWaalsContact C-N 3.31Å |
| 45 | L | 86.2 | Confident | 82.9 | Confident | 13 Ų | 13 | 96 Ų | 96 | 7% | 0.068 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -83.3 | 143.4 | 179 | -79 | 157.3 | 0 | 0 | 0 | 110.4 | L41 K42 D43 A49 I61 R64 I68 | L41-L45 VanDerWaalsContact O-CD1 3.31Å; L41-L45 WeakPolarHBondContact O-CD1 3.37Å; L41-L45 VanDerWaalsContact O-CG 3.31Å; L41-L45 WeakPolarHBondContact O-CG 3.31Å; L41-L45 PolarHBondContact O-N 3.25Å; K42-L45 WeakPolarHBondContact O-CB 3.44Å; K42-L45 PolarHBondContact O-N 3.4Å; D43-L45 VanDerWaalsContact C-N 3.26Å; D43-L45 PolarHBondContact O-N 2.67Å; L45-A49 HydrophobicContact CB-CB 4.43Å; L45-I61 HydrophobicContact CD1-CB 4.39Å; L45-I61 HydrophobicContact CD1-CG1 4.46Å; L45-I61 HydrophobicContact CD1-CG2 4.02Å; L45-R64 HydrophobicContact CD1-CB 4.44Å; L45-R64 HydrophobicContact CD2-CB 3.24Å; L45-R64 HydrophobicContact CD2-CG 4.22Å; L45-R64 HydrophobicContact CG-CB 4.49Å; L45-I68 HydrophobicContact CD2-CD1 3.5Å; L45-I68 HydrophobicContact CG-CD1 4.34Å |
| 46 | P | 84.9 | Confident | 82.3 | Confident | 74 Ų | 74 | 91.7 Ų | 91.7 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | trans | -55.3 | 141.7 | 173.5 | -25.4 | 33.8 | 0 | 0 | 0 | 111.5 | E48 A49 | P46-E48 PolarHBondContact O-N 3.39Å; P46-A49 WeakPolarHBondContact O-CB 3.27Å; P46-A49 PolarHBondContact O-N 3.39Å | ||
| 47 | P | 75.7 | Confident | 81.9 | Confident | 129 Ų | 129 | 92.4 Ų | 92.4 | 84% | 0.838 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -61.7 | -30.4 | -177.7 | 22.1 | -32.1 | 0 | 0 | 0 | 113 | A49 | P47-A49 PolarHBondContact O-N 2.94Å; P47-A49 VanDerWaalsContact O-N 3.12Å |
| 48 | E | 74.9 | Confident | 81.7 | Confident | 180 Ų | 180 | 95.8 Ų | 95.8 | 84% | 0.841 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -64.9 | -6.9 | 172.6 | -62.3 | -86.3 | 145.9 | 0 | 0 | 113.4 | P46 A50 | P46-E48 PolarHBondContact O-N 3.39Å; E48-A50 VanDerWaalsContact C-N 3.31Å; E48-A50 PolarHBondContact O-N 2.9Å |
| 49 | A | 69.4 | Low | 81.5 | Confident | 5 Ų | 5 | 96.8 Ų | 96.8 | 4% | 0.041 | 54% | 0.537 | C | S | . | . | G | 310 helix | trans | -67.1 | -31.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L45 P46 P47 L56 R64 | L45-A49 HydrophobicContact CB-CB 4.43Å; P46-A49 WeakPolarHBondContact O-CB 3.27Å; P46-A49 PolarHBondContact O-N 3.39Å; P47-A49 PolarHBondContact O-N 2.94Å; P47-A49 VanDerWaalsContact O-N 3.12Å; A49-L56 HydrophobicContact CB-CD1 4.47Å; A49-R64 PolarHBondContact O-NH1 3.24Å; A49-R64 PolarHBondContact O-NH2 3.02Å |
| 50 | A | 68.2 | Low | 81.4 | Confident | 36 Ų | 36 | 94 Ų | 94 | 30% | 0.298 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -83.6 | 123.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | E48 V52 L56 | E48-A50 VanDerWaalsContact C-N 3.31Å; E48-A50 PolarHBondContact O-N 2.9Å; A50-V52 PolarHBondContact O-N 3Å; A50-L56 HydrophobicContact CB-CD1 4.42Å; A50-L56 HydrophobicContact CB-CD2 4.18Å; A50-L56 HydrophobicContact CB-CG 3.92Å |
| 51 | P | 69.4 | Low | 81.3 | Confident | 78 Ų | 78 | 88.9 Ų | 88.9 | 51% | 0.506 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -53 | 136 | 167 | -19.6 | 30.5 | 0 | 0 | 0 | 109.1 | G53 Y54 | P51-G53 PolarHBondContact O-N 3.28Å; P51-Y54 HydrophobicContact CB-CD2 4.17Å; P51-Y54 PolarHBondContact O-N 2.99Å |
| 52 | V | 72.9 | Confident | 81.4 | Confident | 148 Ų | 148 | 90.6 Ų | 90.6 | 90% | 0.897 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | 118.8 | -178.5 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | A50 | A50-V52 PolarHBondContact O-N 3Š|
| 53 | G | 70.5 | Confident | 81.6 | Confident | 82 Ų | 82 | 92.8 Ų | 92.8 | 85% | 0.845 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | -4.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | P51 | P51-G53 PolarHBondContact O-N 3.28Š|
| 54 | Y | 75.3 | Confident | 81.6 | Confident | 178 Ų | 178 | 90.6 Ų | 90.6 | 70% | 0.698 | 50% | 0.497 | S | S | * | . | trans | -112.8 | 134.7 | 179.6 | -68.3 | -88.8 | 0 | 0 | 0 | 112.9 | P51 | P51-Y54 HydrophobicContact CB-CD2 4.17Å; P51-Y54 PolarHBondContact O-N 2.99Å | ||
| 55 | K | 79.3 | Confident | 81.8 | Confident | 202 Ų | 202 | 85 Ų | 85 | 88% | 0.878 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -70 | 136.2 | 170.7 | -64.9 | -178.3 | -178.1 | 178.3 | 0 | 109.5 | T57 | K55-T57 PolarHBondContact O-N 3.34Š|
| 56 | L | 82.7 | Confident | 82 | Confident | 27 Ų | 27 | 88.6 Ų | 88.6 | 14% | 0.141 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -61 | 126.7 | 170.3 | -71.3 | 170.8 | 0 | 0 | 0 | 110 | K42 A49 A50 I61 | K42-L56 HydrophobicContact CG-CD1 4.25Å; A49-L56 HydrophobicContact CB-CD1 4.47Å; A50-L56 HydrophobicContact CB-CD1 4.42Å; A50-L56 HydrophobicContact CB-CD2 4.18Å; A50-L56 HydrophobicContact CB-CG 3.92Å; L56-I61 HydrophobicContact CB-CD1 4.21Å; L56-I61 HydrophobicContact CB-CG1 3.89Å; L56-I61 HydrophobicContact CD1-CG1 4.49Å |
| 57 | T | 88.8 | Confident | 82.3 | Confident | 87 Ų | 87 | 89.9 Ų | 89.9 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 151.6 | 174 | 63.4 | 0 | 0 | 0 | 0 | 110.2 | K55 A59 S60 I61 | K55-T57 PolarHBondContact O-N 3.34Å; T57-A59 PolarHBondContact O-N 3.46Å; T57-S60 PolarHBondContact N-OG 2.94Å; T57-S60 PolarHBondContact O-N 3.33Å; T57-S60 PolarHBondContact O-OG 3.07Å; T57-S60 WeakPolarHBondContact OG1-CB 3.44Å; T57-S60 PolarHBondContact OG1-N 2.9Å; T57-S60 PolarHBondContact OG1-OG 3.48Å; T57-I61 PolarHBondContact O-N 3.44Å |
| 58 | N | 89.5 | Confident | 82.9 | Confident | 95 Ų | 95 | 86.9 Ų | 86.9 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -53.5 | -39.3 | 176.2 | -70.9 | 3.4 | 0 | 0 | 0 | 112.3 | Y38 I61 L62 | Y38-N58 HydrophobicContact CD1-CB 4.41Å; Y38-N58 HydrophobicContact CE1-CB 3.64Å; Y38-N58 WeakPolarHBondContact CE1-O 3.46Å; N58-I61 PolarHBondContact O-N 3.46Å; N58-L62 WeakPolarHBondContact O-CG 3.49Å; N58-L62 PolarHBondContact O-N 3.1Å; N58-L62 VanDerWaalsContact O-N 3.11Å |
| 59 | A | 90 | Very high | 83.7 | Confident | 71 Ų | 71 | 86.9 Ų | 86.9 | 59% | 0.587 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.1 | -42.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T57 L62 Y63 | T57-A59 PolarHBondContact O-N 3.46Å; A59-L62 PolarHBondContact O-N 2.91Å; A59-Y63 WeakPolarHBondContact O-CB 3.46Å; A59-Y63 PolarHBondContact O-N 3.33Å |
| 60 | S | 89 | Confident | 84.7 | Confident | 27 Ų | 27 | 92.2 Ų | 92.2 | 19% | 0.189 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -66.8 | -38 | 178.2 | 72.8 | 0 | 0 | 0 | 0 | 112.8 | T57 Y63 R64 | T57-S60 PolarHBondContact N-OG 2.94Å; T57-S60 PolarHBondContact O-N 3.33Å; T57-S60 PolarHBondContact O-OG 3.07Å; T57-S60 WeakPolarHBondContact OG1-CB 3.44Å; T57-S60 PolarHBondContact OG1-N 2.9Å; T57-S60 PolarHBondContact OG1-OG 3.48Å; S60-Y63 PolarHBondContact O-N 3.42Å; S60-R64 WeakPolarHBondContact O-CB 3.48Å; S60-R64 VanDerWaalsContact O-CG 3.24Å; S60-R64 WeakPolarHBondContact O-CG 3.39Å; S60-R64 PolarHBondContact O-N 3.21Å |
| 61 | I | 90.3 | Very high | 85.9 | Confident | 8 Ų | 8 | 93.2 Ų | 93.2 | 4% | 0.041 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62 | -48 | 176.4 | -64 | 168.7 | 0 | 0 | 0 | 109.7 | Y38 L41 L45 L56 T57 N58 G65 | Y38-I61 HydrophobicContact CD1-CB 4.1Å; Y38-I61 HydrophobicContact CD1-CD1 4.05Å; Y38-I61 HydrophobicContact CD1-CG2 3.89Å; Y38-I61 HydrophobicContact CE1-CB 4.35Å; Y38-I61 HydrophobicContact CE1-CG2 4.44Å; L41-I61 HydrophobicContact CB-CG2 3.6Å; L41-I61 HydrophobicContact CD1-CG2 4.3Å; L45-I61 HydrophobicContact CD1-CB 4.39Å; L45-I61 HydrophobicContact CD1-CG1 4.46Å; L45-I61 HydrophobicContact CD1-CG2 4.02Å; L56-I61 HydrophobicContact CB-CD1 4.21Å; L56-I61 HydrophobicContact CB-CG1 3.89Å; L56-I61 HydrophobicContact CD1-CG1 4.49Å; T57-I61 PolarHBondContact O-N 3.44Å; N58-I61 PolarHBondContact O-N 3.46Å; I61-G65 PolarHBondContact O-N 3.35Å |
| 62 | L | 91.8 | Very high | 87 | Confident | 86 Ų | 86 | 94.5 Ų | 94.5 | 45% | 0.45 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -48 | 178.2 | -68.4 | 179.8 | 0 | 0 | 0 | 112.2 | Y38 L41 N58 A59 R64 G65 M66 | Y38-L62 HydrophobicContact CE1-CD1 4.43Å; Y38-L62 HydrophobicContact CE1-CD2 3.96Å; Y38-L62 HydrophobicContact CE1-CG 3.84Å; Y38-L62 WeakPolarHBondContact OH-CD1 3.31Å; L41-L62 HydrophobicContact CD1-CD2 4.13Å; N58-L62 WeakPolarHBondContact O-CG 3.49Å; N58-L62 PolarHBondContact O-N 3.1Å; N58-L62 VanDerWaalsContact O-N 3.11Å; A59-L62 PolarHBondContact O-N 2.91Å; L62-R64 PolarHBondContact O-N 3.01Å; L62-G65 PolarHBondContact O-N 3.11Å; L62-M66 WeakPolarHBondContact O-CB 3.43Å; L62-M66 PolarHBondContact O-N 3.34Å |
| 63 | Y | 91.2 | Very high | 88 | Confident | 152 Ų | 152 | 92 Ų | 92 | 60% | 0.596 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.5 | -47.5 | -179 | 178.2 | -96.9 | 0 | 0 | 0 | 111.6 | A59 S60 M66 H67 | A59-Y63 WeakPolarHBondContact O-CB 3.46Å; A59-Y63 PolarHBondContact O-N 3.33Å; S60-Y63 PolarHBondContact O-N 3.42Å; Y63-M66 HydrophobicContact CD2-CE 4.36Å; Y63-M66 PolarHBondContact O-N 3.17Å; Y63-H67 WeakPolarHBondContact O-CB 3.37Å; Y63-H67 PolarHBondContact O-N 2.99Å |
| 64 | R | 88.2 | Confident | 89.1 | Confident | 90 Ų | 90 | 94 Ų | 94 | 34% | 0.34 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.8 | -40.5 | -179.2 | -65 | 176.9 | -178.1 | -124.5 | 8.3 | 112.1 | L45 A49 S60 L62 M66 H67 I68 | L45-R64 HydrophobicContact CD1-CB 4.44Å; L45-R64 HydrophobicContact CD2-CB 3.24Å; L45-R64 HydrophobicContact CD2-CG 4.22Å; L45-R64 HydrophobicContact CG-CB 4.49Å; A49-R64 PolarHBondContact O-NH1 3.24Å; A49-R64 PolarHBondContact O-NH2 3.02Å; S60-R64 WeakPolarHBondContact O-CB 3.48Å; S60-R64 VanDerWaalsContact O-CG 3.24Å; S60-R64 WeakPolarHBondContact O-CG 3.39Å; S60-R64 PolarHBondContact O-N 3.21Å; L62-R64 PolarHBondContact O-N 3.01Å; R64-M66 VanDerWaalsContact C-N 3.33Å; R64-M66 PolarHBondContact O-N 3.41Å; R64-H67 PolarHBondContact O-N 3.26Å; R64-H67 VanDerWaalsContact O-N 3.17Å; R64-I68 WeakPolarHBondContact O-CB 3.44Å; R64-I68 WeakPolarHBondContact O-CG1 3.45Å; R64-I68 PolarHBondContact O-N 3.23Å |
| 65 | G | 89 | Confident | 90 | Very high | 16 Ų | 16 | 90.6 Ų | 90.6 | 17% | 0.165 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | I61 L62 R69 | I61-G65 PolarHBondContact O-N 3.35Å; L62-G65 PolarHBondContact O-N 3.11Å; G65-R69 WeakPolarHBondContact O-CB 3.26Å; G65-R69 PolarHBondContact O-N 3.03Å |
| 66 | M | 91.1 | Very high | 90.8 | Very high | 90 Ų | 90 | 84.4 Ų | 84.4 | 44% | 0.443 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 172.4 | -178.7 | -175 | 63.2 | 0 | 0 | 111.6 | L62 Y63 R64 R69 K70 | L62-M66 WeakPolarHBondContact O-CB 3.43Å; L62-M66 PolarHBondContact O-N 3.34Å; Y63-M66 HydrophobicContact CD2-CE 4.36Å; Y63-M66 PolarHBondContact O-N 3.17Å; R64-M66 VanDerWaalsContact C-N 3.33Å; R64-M66 PolarHBondContact O-N 3.41Å; M66-R69 PolarHBondContact O-N 3.46Å; M66-K70 HydrophobicContact CG-CD 4.23Å; M66-K70 WeakPolarHBondContact O-CB 3.4Å; M66-K70 WeakPolarHBondContact O-CG 3.46Å; M66-K70 PolarHBondContact O-N 3.33Å |
| 67 | H | 90 | Very high | 91.3 | Very high | 100 Ų | 100 | 86.5 Ų | 86.5 | 46% | 0.463 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.4 | -49.7 | 179.4 | -175.7 | -87 | 0 | 0 | 0 | 111.7 | Y63 R64 R69 K70 V71 | Y63-H67 WeakPolarHBondContact O-CB 3.37Å; Y63-H67 PolarHBondContact O-N 2.99Å; R64-H67 PolarHBondContact O-N 3.26Å; R64-H67 VanDerWaalsContact O-N 3.17Å; H67-R69 VanDerWaalsContact C-N 3.32Å; H67-R69 PolarHBondContact O-N 2.96Å; H67-K70 PolarHBondContact O-N 2.97Å; H67-V71 WeakPolarHBondContact O-CG2 3.1Å; H67-V71 PolarHBondContact O-N 3.16Å |
| 68 | I | 89.8 | Confident | 91.5 | Very high | 66 Ų | 66 | 85.3 Ų | 85.3 | 34% | 0.338 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 177.1 | -69.4 | 169.8 | 0 | 0 | 0 | 110.5 | L45 R64 K70 V71 L72 | L45-I68 HydrophobicContact CD2-CD1 3.5Å; L45-I68 HydrophobicContact CG-CD1 4.34Å; R64-I68 WeakPolarHBondContact O-CB 3.44Å; R64-I68 WeakPolarHBondContact O-CG1 3.45Å; R64-I68 PolarHBondContact O-N 3.23Å; I68-K70 PolarHBondContact O-N 3.4Å; I68-V71 PolarHBondContact O-N 2.99Å; I68-L72 VanDerWaalsContact O-CB 3.28Å; I68-L72 WeakPolarHBondContact O-CB 3.5Å; I68-L72 PolarHBondContact O-N 3.46Å |
| 69 | R | 90.8 | Very high | 91.8 | Very high | 180 Ų | 180 | 86.4 Ų | 86.4 | 68% | 0.679 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.8 | -43.5 | 176.3 | -176.7 | 173.7 | -177.1 | 139.9 | 0.9 | 112.1 | G65 M66 H67 L72 I73 | G65-R69 WeakPolarHBondContact O-CB 3.26Å; G65-R69 PolarHBondContact O-N 3.03Å; M66-R69 PolarHBondContact O-N 3.46Å; H67-R69 VanDerWaalsContact C-N 3.32Å; H67-R69 PolarHBondContact O-N 2.96Å; R69-L72 PolarHBondContact O-N 3.37Å; R69-I73 HydrophobicContact CG-CD1 3.98Å; R69-I73 VanDerWaalsContact O-CG1 3.25Å; R69-I73 WeakPolarHBondContact O-CG1 3.33Å; R69-I73 PolarHBondContact O-N 3.01Å |
| 70 | K | 91.7 | Very high | 92 | Very high | 118 Ų | 118 | 85.8 Ų | 85.8 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 176.1 | -75.8 | 178.8 | 178.4 | -177.3 | 0 | 111.3 | M66 H67 I68 I73 I74 | M66-K70 HydrophobicContact CG-CD 4.23Å; M66-K70 WeakPolarHBondContact O-CB 3.4Å; M66-K70 WeakPolarHBondContact O-CG 3.46Å; M66-K70 PolarHBondContact O-N 3.33Å; H67-K70 PolarHBondContact O-N 2.97Å; I68-K70 PolarHBondContact O-N 3.4Å; K70-I73 PolarHBondContact O-N 3.49Å; K70-I74 VanDerWaalsContact O-CG1 3.28Å; K70-I74 WeakPolarHBondContact O-CG1 3.4Å; K70-I74 PolarHBondContact O-N 3.39Å |
| 71 | V | 92.2 | Very high | 92.3 | Very high | 57 Ų | 57 | 91 Ų | 91 | 35% | 0.345 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | H67 I68 I73 I74 L75 | H67-V71 WeakPolarHBondContact O-CG2 3.1Å; H67-V71 PolarHBondContact O-N 3.16Å; I68-V71 PolarHBondContact O-N 2.99Å; V71-I73 VanDerWaalsContact C-N 3.32Å; V71-I73 PolarHBondContact O-N 3Å; V71-I74 PolarHBondContact O-N 2.91Å; V71-I74 VanDerWaalsContact O-N 3.16Å; V71-L75 HydrophobicContact CG1-CD1 3.67Å; V71-L75 HydrophobicContact CG1-CG 4.15Å; V71-L75 WeakPolarHBondContact O-CB 3.49Å; V71-L75 WeakPolarHBondContact O-CG 3.39Å; V71-L75 PolarHBondContact O-N 3.01Å |
| 72 | L | 93 | Very high | 92.6 | Very high | 105 Ų | 105 | 96 Ų | 96 | 55% | 0.55 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.7 | -45 | 177.2 | -176.3 | 69.9 | 0 | 0 | 0 | 111.4 | I68 R69 L75 V76 | I68-L72 VanDerWaalsContact O-CB 3.28Å; I68-L72 WeakPolarHBondContact O-CB 3.5Å; I68-L72 PolarHBondContact O-N 3.46Å; R69-L72 PolarHBondContact O-N 3.37Å; L72-L75 PolarHBondContact O-N 3.28Å; L72-V76 HydrophobicContact CD1-CG2 3.57Å; L72-V76 HydrophobicContact CG-CG2 4.22Å; L72-V76 VanDerWaalsContact O-CB 3.27Å; L72-V76 WeakPolarHBondContact O-CB 3.41Å; L72-V76 WeakPolarHBondContact O-CG2 3.44Å; L72-V76 PolarHBondContact O-N 3.35Å |
| 73 | I | 93.9 | Very high | 92.8 | Very high | 94 Ų | 94 | 94.6 Ų | 94.6 | 48% | 0.482 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 176.6 | -70.6 | 166.5 | 0 | 0 | 0 | 110.6 | R69 K70 V71 L75 S77 | R69-I73 HydrophobicContact CG-CD1 3.98Å; R69-I73 VanDerWaalsContact O-CG1 3.25Å; R69-I73 WeakPolarHBondContact O-CG1 3.33Å; R69-I73 PolarHBondContact O-N 3.01Å; K70-I73 PolarHBondContact O-N 3.49Å; V71-I73 VanDerWaalsContact C-N 3.32Å; V71-I73 PolarHBondContact O-N 3Å; I73-L75 VanDerWaalsContact C-N 3.33Å; I73-L75 PolarHBondContact O-N 3.46Å; I73-S77 WeakPolarHBondContact O-CB 3.42Å; I73-S77 PolarHBondContact O-N 3.02Å |
| 74 | I | 94.4 | Very high | 93.1 | Very high | 124 Ų | 124 | 89.9 Ų | 89.9 | 64% | 0.636 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | -178.9 | -69 | 165.8 | 0 | 0 | 0 | 111.7 | K70 V71 P78 | K70-I74 VanDerWaalsContact O-CG1 3.28Å; K70-I74 WeakPolarHBondContact O-CG1 3.4Å; K70-I74 PolarHBondContact O-N 3.39Å; V71-I74 PolarHBondContact O-N 2.91Å; V71-I74 VanDerWaalsContact O-N 3.16Å; I74-P78 WeakPolarHBondContact O-CD 3.4Å; I74-P78 WeakPolarHBondContact O-CG 3.27Å |
| 75 | L | 94.1 | Very high | 93.4 | Very high | 107 Ų | 107 | 89.1 Ų | 89.1 | 56% | 0.56 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -81.7 | -41.9 | -177.7 | -64.9 | 179.9 | 0 | 0 | 0 | 113.1 | V71 L72 I73 I79 | V71-L75 HydrophobicContact CG1-CD1 3.67Å; V71-L75 HydrophobicContact CG1-CG 4.15Å; V71-L75 WeakPolarHBondContact O-CB 3.49Å; V71-L75 WeakPolarHBondContact O-CG 3.39Å; V71-L75 PolarHBondContact O-N 3.01Å; L72-L75 PolarHBondContact O-N 3.28Å; I73-L75 VanDerWaalsContact C-N 3.33Å; I73-L75 PolarHBondContact O-N 3.46Å; L75-I79 WeakPolarHBondContact O-CD1 3.31Å |
| 76 | V | 94.3 | Very high | 93.8 | Very high | 73 Ų | 73 | 94.5 Ų | 94.5 | 44% | 0.442 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -89.2 | -35 | -171.6 | 179.8 | 0 | 0 | 0 | 0 | 112.4 | L72 I79 A80 | L72-V76 HydrophobicContact CD1-CG2 3.57Å; L72-V76 HydrophobicContact CG-CG2 4.22Å; L72-V76 VanDerWaalsContact O-CB 3.27Å; L72-V76 WeakPolarHBondContact O-CB 3.41Å; L72-V76 WeakPolarHBondContact O-CG2 3.44Å; L72-V76 PolarHBondContact O-N 3.35Å; V76-I79 PolarHBondContact O-N 2.96Å; V76-A80 WeakPolarHBondContact O-CB 3.48Å; V76-A80 PolarHBondContact O-N 3.44Å |
| 77 | S | 93.4 | Very high | 94.1 | Very high | 70 Ų | 70 | 94.6 Ų | 94.6 | 49% | 0.49 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -53.1 | -48.8 | 179.3 | -174.2 | 0 | 0 | 0 | 0 | 113.8 | I73 I79 A80 F81 | I73-S77 WeakPolarHBondContact O-CB 3.42Å; I73-S77 PolarHBondContact O-N 3.02Å; S77-I79 VanDerWaalsContact C-N 3.35Å; S77-I79 PolarHBondContact O-N 3.21Å; S77-A80 PolarHBondContact O-N 3.39Å; S77-F81 VanDerWaalsContact O-CB 3.31Å; S77-F81 WeakPolarHBondContact O-CB 3.25Å; S77-F81 PolarHBondContact O-N 2.9Å |
| 78 | P | 93.9 | Very high | 94.4 | Very high | 62 Ų | 62 | 96.3 Ų | 96.3 | 40% | 0.403 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -37.2 | -179.9 | 24.9 | -34.3 | 0 | 0 | 0 | 112.7 | I74 F81 I82 | I74-P78 WeakPolarHBondContact O-CD 3.4Å; I74-P78 WeakPolarHBondContact O-CG 3.27Å; P78-F81 PolarHBondContact O-N 3.4Å; P78-I82 WeakPolarHBondContact O-CD1 3.47Å; P78-I82 VanDerWaalsContact O-CG1 3.25Å; P78-I82 WeakPolarHBondContact O-CG1 3.37Å; P78-I82 PolarHBondContact O-N 3.42Å |
| 79 | I | 94.9 | Very high | 94.8 | Very high | 119 Ų | 119 | 99.6 Ų | 99.6 | 61% | 0.61 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.4 | -46.6 | 178.8 | -59 | 169.9 | 0 | 0 | 0 | 110 | L75 V76 S77 F81 I82 A83 | L75-I79 WeakPolarHBondContact O-CD1 3.31Å; V76-I79 PolarHBondContact O-N 2.96Å; S77-I79 VanDerWaalsContact C-N 3.35Å; S77-I79 PolarHBondContact O-N 3.21Å; I79-F81 VanDerWaalsContact C-N 3.31Å; I79-F81 PolarHBondContact O-N 2.94Å; I79-I82 PolarHBondContact O-N 3.14Å; I79-A83 WeakPolarHBondContact O-CB 3.38Å; I79-A83 PolarHBondContact O-N 3.49Å |
| 80 | A | 94.8 | Very high | 95.1 | Very high | 58 Ų | 58 | 95.2 Ų | 95.2 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V76 S77 A83 A84 | V76-A80 WeakPolarHBondContact O-CB 3.48Å; V76-A80 PolarHBondContact O-N 3.44Å; S77-A80 PolarHBondContact O-N 3.39Å; A80-A83 PolarHBondContact O-N 3.47Å; A80-A84 WeakPolarHBondContact O-CB 3.34Å; A80-A84 PolarHBondContact O-N 3.42Å |
| 81 | F | 96.2 | Very high | 95.3 | Very high | 135 Ų | 135 | 95.8 Ų | 95.8 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.4 | -47.9 | 176.8 | -179 | -99.6 | 0 | 0 | 0 | 112.2 | S77 P78 I79 A83 A84 E85 | S77-F81 VanDerWaalsContact O-CB 3.31Å; S77-F81 WeakPolarHBondContact O-CB 3.25Å; S77-F81 PolarHBondContact O-N 2.9Å; P78-F81 PolarHBondContact O-N 3.4Å; I79-F81 VanDerWaalsContact C-N 3.31Å; I79-F81 PolarHBondContact O-N 2.94Å; F81-A83 VanDerWaalsContact C-N 3.35Å; F81-A83 PolarHBondContact O-N 2.99Å; F81-A84 PolarHBondContact O-N 2.86Å; F81-E85 HydrophobicContact CE1-CG 4.07Å; F81-E85 HydrophobicContact CE2-CG 4.37Å; F81-E85 HydrophobicContact CZ-CG 3.98Å; F81-E85 PolarHBondContact O-N 2.8Å |
| 82 | I | 96.2 | Very high | 95.5 | Very high | 113 Ų | 113 | 97.8 Ų | 97.8 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.1 | -43.3 | 178 | -67.8 | 163.8 | 0 | 0 | 0 | 110.9 | P78 I79 A84 E85 F86 | P78-I82 WeakPolarHBondContact O-CD1 3.47Å; P78-I82 VanDerWaalsContact O-CG1 3.25Å; P78-I82 WeakPolarHBondContact O-CG1 3.37Å; P78-I82 PolarHBondContact O-N 3.42Å; I79-I82 PolarHBondContact O-N 3.14Å; I82-A84 VanDerWaalsContact C-N 3.34Å; I82-A84 PolarHBondContact O-N 3.43Å; I82-E85 PolarHBondContact O-N 2.9Å; I82-F86 WeakPolarHBondContact O-CB 3.28Å; I82-F86 PolarHBondContact O-N 2.98Å |
| 83 | A | 96.2 | Very high | 95.7 | Very high | 57 Ų | 57 | 95.9 Ų | 95.9 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I79 A80 F81 F86 L87 | I79-A83 WeakPolarHBondContact O-CB 3.38Å; I79-A83 PolarHBondContact O-N 3.49Å; A80-A83 PolarHBondContact O-N 3.47Å; F81-A83 VanDerWaalsContact C-N 3.35Å; F81-A83 PolarHBondContact O-N 2.99Å; A83-F86 PolarHBondContact O-N 3.38Å; A83-L87 WeakPolarHBondContact O-CB 3.33Å; A83-L87 PolarHBondContact O-N 3.34Å |
| 84 | A | 96.3 | Very high | 95.8 | Very high | 54 Ų | 54 | 97.6 Ų | 97.6 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A80 F81 I82 L87 K88 | A80-A84 WeakPolarHBondContact O-CB 3.34Å; A80-A84 PolarHBondContact O-N 3.42Å; F81-A84 PolarHBondContact O-N 2.86Å; I82-A84 VanDerWaalsContact C-N 3.34Å; I82-A84 PolarHBondContact O-N 3.43Å; A84-L87 PolarHBondContact O-N 3.46Å; A84-K88 WeakPolarHBondContact O-CB 3.49Å; A84-K88 PolarHBondContact O-N 2.99Å |
| 85 | E | 96.4 | Very high | 95.9 | Very high | 74 Ų | 74 | 97.8 Ų | 97.8 | 35% | 0.346 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 177.4 | -75.7 | -63.4 | 111.2 | 0 | 0 | 112.1 | F81 I82 K88 K89 | F81-E85 HydrophobicContact CE1-CG 4.07Å; F81-E85 HydrophobicContact CE2-CG 4.37Å; F81-E85 HydrophobicContact CZ-CG 3.98Å; F81-E85 PolarHBondContact O-N 2.8Å; I82-E85 PolarHBondContact O-N 2.9Å; E85-K88 PolarHBondContact O-N 3.42Å; E85-K89 WeakPolarHBondContact O-CG 3.48Å; E85-K89 PolarHBondContact O-N 3.16Å |
| 86 | F | 97.1 | Very high | 96 | Very high | 129 Ų | 129 | 97.7 Ų | 97.7 | 57% | 0.566 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.4 | -45.6 | 175.3 | -175.5 | -108 | 0 | 0 | 0 | 111.6 | I82 A83 K88 K89 L90 | I82-F86 WeakPolarHBondContact O-CB 3.28Å; I82-F86 PolarHBondContact O-N 2.98Å; A83-F86 PolarHBondContact O-N 3.38Å; F86-K88 VanDerWaalsContact C-N 3.29Å; F86-K88 PolarHBondContact O-N 2.9Å; F86-K89 WeakPolarHBondContact O-CB 2.91Å; F86-K89 PolarHBondContact O-N 3.22Å; F86-K89 VanDerWaalsContact O-N 3.16Å; F86-L90 HydrophobicContact CD1-CD1 3.9Å; F86-L90 HydrophobicContact CD1-CG 4.36Å; F86-L90 HydrophobicContact CE1-CD1 3.47Å; F86-L90 VanDerWaalsContact CE1-CD1 3.47Å; F86-L90 HydrophobicContact CE1-CD2 4.44Å; F86-L90 HydrophobicContact CE1-CG 4.03Å; F86-L90 HydrophobicContact CZ-CD1 4Å; F86-L90 HydrophobicContact CZ-CD2 4.13Å; F86-L90 HydrophobicContact CZ-CG 4.16Å; F86-L90 WeakPolarHBondContact O-CG 3.1Å; F86-L90 PolarHBondContact O-N 2.98Å |
| 87 | L | 97 | Very high | 96.1 | Very high | 92 Ų | 92 | 99.5 Ų | 99.5 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 175.8 | -178.9 | 61.9 | 0 | 0 | 0 | 111.9 | A83 A84 L90 K91 | A83-L87 WeakPolarHBondContact O-CB 3.33Å; A83-L87 PolarHBondContact O-N 3.34Å; A84-L87 PolarHBondContact O-N 3.46Å; L87-L90 PolarHBondContact O-N 3.27Å; L87-K91 WeakPolarHBondContact O-CG 3.3Å; L87-K91 PolarHBondContact O-N 3.27Å; L87-K91 VanDerWaalsContact O-N 3.07Å |
| 88 | K | 96.8 | Very high | 96.3 | Very high | 135 Ų | 135 | 99.8 Ų | 99.8 | 59% | 0.587 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.9 | -42 | 176 | -176.8 | -178.6 | 175.6 | -174.1 | 0 | 111.9 | A84 E85 F86 K91 L92 | A84-K88 WeakPolarHBondContact O-CB 3.49Å; A84-K88 PolarHBondContact O-N 2.99Å; E85-K88 PolarHBondContact O-N 3.42Å; F86-K88 VanDerWaalsContact C-N 3.29Å; F86-K88 PolarHBondContact O-N 2.9Å; K88-K91 PolarHBondContact O-N 2.87Å; K88-L92 PolarHBondContact O-N 3.03Å; K88-L92 VanDerWaalsContact O-N 3.11Å |
| 89 | K | 96.7 | Very high | 96.4 | Very high | 136 Ų | 136 | 101.1 Ų | 101.1 | 59% | 0.591 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -45.9 | 175.7 | -73.1 | 178.7 | -177.9 | -172.7 | 0 | 111.7 | E85 F86 K91 L92 T93 | E85-K89 WeakPolarHBondContact O-CG 3.48Å; E85-K89 PolarHBondContact O-N 3.16Å; F86-K89 WeakPolarHBondContact O-CB 2.91Å; F86-K89 PolarHBondContact O-N 3.22Å; F86-K89 VanDerWaalsContact O-N 3.16Å; K89-K91 PolarHBondContact O-N 3.38Å; K89-L92 PolarHBondContact O-N 2.99Å; K89-L92 VanDerWaalsContact O-N 3.17Å; K89-T93 PolarHBondContact O-N 3.43Å; K89-T93 PolarHBondContact O-OG1 3.47Å |
| 90 | L | 97.3 | Very high | 96.5 | Very high | 88 Ų | 88 | 101.1 Ų | 101.1 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.4 | -47 | 177.6 | -70.7 | 179.1 | 0 | 0 | 0 | 112 | F86 L87 L92 T93 E94 | F86-L90 HydrophobicContact CD1-CD1 3.9Å; F86-L90 HydrophobicContact CD1-CG 4.36Å; F86-L90 HydrophobicContact CE1-CD1 3.47Å; F86-L90 VanDerWaalsContact CE1-CD1 3.47Å; F86-L90 HydrophobicContact CE1-CD2 4.44Å; F86-L90 HydrophobicContact CE1-CG 4.03Å; F86-L90 HydrophobicContact CZ-CD1 4Å; F86-L90 HydrophobicContact CZ-CD2 4.13Å; F86-L90 HydrophobicContact CZ-CG 4.16Å; F86-L90 WeakPolarHBondContact O-CG 3.1Å; F86-L90 PolarHBondContact O-N 2.98Å; L87-L90 PolarHBondContact O-N 3.27Å; L90-L92 VanDerWaalsContact C-N 3.28Å; L90-L92 PolarHBondContact O-N 3.38Å; L90-T93 PolarHBondContact O-N 3.41Å; L90-E94 WeakPolarHBondContact O-CB 3.49Å; L90-E94 PolarHBondContact O-N 3.21Å |
| 91 | K | 96.8 | Very high | 96.5 | Very high | 129 Ų | 129 | 103.9 Ų | 103.9 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.1 | -35.5 | 177.1 | -74 | -176 | 176.6 | -174.4 | 0 | 113.1 | L87 K88 K89 K95 | L87-K91 WeakPolarHBondContact O-CG 3.3Å; L87-K91 PolarHBondContact O-N 3.27Å; L87-K91 VanDerWaalsContact O-N 3.07Å; K88-K91 PolarHBondContact O-N 2.87Å; K89-K91 PolarHBondContact O-N 3.38Å; K91-K95 WeakPolarHBondContact O-CB 3.48Å; K91-K95 PolarHBondContact O-N 2.88Å; K91-K95 VanDerWaalsContact O-N 3.1Å |
| 92 | L | 96.9 | Very high | 96.5 | Very high | 99 Ų | 99 | 101.1 Ų | 101.1 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.3 | -44.2 | 177 | -177 | 63.3 | 0 | 0 | 0 | 111.2 | K88 K89 L90 K95 Q96 | K88-L92 PolarHBondContact O-N 3.03Å; K88-L92 VanDerWaalsContact O-N 3.11Å; K89-L92 PolarHBondContact O-N 2.99Å; K89-L92 VanDerWaalsContact O-N 3.17Å; L90-L92 VanDerWaalsContact C-N 3.28Å; L90-L92 PolarHBondContact O-N 3.38Å; L92-K95 PolarHBondContact O-N 3.35Å; L92-Q96 WeakPolarHBondContact O-CG 3.38Å; L92-Q96 PolarHBondContact O-N 2.97Å |
| 93 | T | 96.6 | Very high | 96.5 | Very high | 65 Ų | 65 | 102 Ų | 102 | 40% | 0.399 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 176.9 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | K89 L90 K95 Q96 Q97 | K89-T93 PolarHBondContact O-N 3.43Å; K89-T93 PolarHBondContact O-OG1 3.47Å; L90-T93 PolarHBondContact O-N 3.41Å; T93-K95 VanDerWaalsContact C-N 3.32Å; T93-K95 PolarHBondContact O-N 2.93Å; T93-Q96 PolarHBondContact O-N 3.45Å; T93-Q97 HydrophobicContact CG2-CG 4.5Å; T93-Q97 WeakPolarHBondContact O-CG 3.43Å; T93-Q97 PolarHBondContact O-N 3.17Å |
| 94 | E | 96.1 | Very high | 96.5 | Very high | 130 Ų | 130 | 103.8 Ų | 103.8 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.5 | -46 | 175.1 | -178.7 | -173.2 | -169.2 | 0 | 0 | 111.4 | L90 Q96 Q97 S98 | L90-E94 WeakPolarHBondContact O-CB 3.49Å; L90-E94 PolarHBondContact O-N 3.21Å; E94-Q96 PolarHBondContact O-N 2.82Å; E94-Q97 PolarHBondContact O-N 3.31Å; E94-S98 WeakPolarHBondContact O-CB 3.27Å; E94-S98 PolarHBondContact O-N 3.12Å |
| 95 | K | 96 | Very high | 96.5 | Very high | 128 Ų | 128 | 106.2 Ų | 106.2 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 176.8 | -175.5 | 178.6 | 176.1 | -177.4 | 0 | 112 | K91 L92 T93 S98 E99 | K91-K95 WeakPolarHBondContact O-CB 3.48Å; K91-K95 PolarHBondContact O-N 2.88Å; K91-K95 VanDerWaalsContact O-N 3.1Å; L92-K95 PolarHBondContact O-N 3.35Å; T93-K95 VanDerWaalsContact C-N 3.32Å; T93-K95 PolarHBondContact O-N 2.93Å; K95-S98 PolarHBondContact O-N 3.36Å; K95-E99 WeakPolarHBondContact CE-OE1 3.33Å; K95-E99 WeakPolarHBondContact O-CG 3.43Å; K95-E99 PolarHBondContact O-N 2.89Å |
| 96 | Q | 96.6 | Very high | 96.4 | Very high | 106 Ų | 106 | 106 Ų | 106 | 50% | 0.495 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 177.6 | -73.5 | 172 | -24.2 | 0 | 0 | 111.7 | L92 T93 E94 E99 E100 | L92-Q96 WeakPolarHBondContact O-CG 3.38Å; L92-Q96 PolarHBondContact O-N 2.97Å; T93-Q96 PolarHBondContact O-N 3.45Å; E94-Q96 PolarHBondContact O-N 2.82Å; Q96-E99 PolarHBondContact O-N 2.86Å; Q96-E100 PolarHBondContact O-N 3.41Å |
| 97 | Q | 96.6 | Very high | 96.2 | Very high | 111 Ų | 111 | 105.9 Ų | 105.9 | 52% | 0.519 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 176.9 | -71.3 | 177.3 | -35.3 | 0 | 0 | 111.7 | T93 E94 E99 E100 I101 | T93-Q97 HydrophobicContact CG2-CG 4.5Å; T93-Q97 WeakPolarHBondContact O-CG 3.43Å; T93-Q97 PolarHBondContact O-N 3.17Å; E94-Q97 PolarHBondContact O-N 3.31Å; Q97-E99 VanDerWaalsContact C-N 3.34Å; Q97-E99 PolarHBondContact O-N 3.2Å; Q97-E100 PolarHBondContact O-N 2.98Å; Q97-I101 WeakPolarHBondContact O-CB 3.31Å; Q97-I101 VanDerWaalsContact O-CG1 3.26Å; Q97-I101 WeakPolarHBondContact O-CG1 3.33Å; Q97-I101 PolarHBondContact O-N 3.48Å |
| 98 | S | 96.3 | Very high | 96.2 | Very high | 76 Ų | 76 | 106.2 Ų | 106.2 | 53% | 0.531 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 175.8 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | E94 K95 S102 | E94-S98 WeakPolarHBondContact O-CB 3.27Å; E94-S98 PolarHBondContact O-N 3.12Å; K95-S98 PolarHBondContact O-N 3.36Å; S98-S102 WeakPolarHBondContact O-CB 3.25Å; S98-S102 PolarHBondContact O-N 3.03Å |
| 99 | E | 96.2 | Very high | 96 | Very high | 90 Ų | 90 | 102.4 Ų | 102.4 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 175.5 | -73.1 | 174.8 | -167.7 | 0 | 0 | 112.1 | K95 Q96 Q97 S102 K103 | K95-E99 WeakPolarHBondContact CE-OE1 3.33Å; K95-E99 WeakPolarHBondContact O-CG 3.43Å; K95-E99 PolarHBondContact O-N 2.89Å; Q96-E99 PolarHBondContact O-N 2.86Å; Q97-E99 VanDerWaalsContact C-N 3.34Å; Q97-E99 PolarHBondContact O-N 3.2Å; E99-S102 PolarHBondContact O-N 3.36Å; E99-K103 WeakPolarHBondContact O-CG 3.41Å; E99-K103 PolarHBondContact O-N 3.37Å |
| 100 | E | 96.7 | Very high | 95.8 | Very high | 119 Ų | 119 | 98.2 Ų | 98.2 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.7 | -44.3 | 176.5 | -172.6 | 174 | -170.2 | 0 | 0 | 112 | Q96 Q97 S102 K103 L104 | Q96-E100 PolarHBondContact O-N 3.41Å; Q97-E100 PolarHBondContact O-N 2.98Å; E100-S102 VanDerWaalsContact C-N 3.3Å; E100-S102 PolarHBondContact O-N 3.44Å; E100-K103 PolarHBondContact O-N 3.23Å; E100-L104 HydrophobicContact CG-CD1 4.17Å; E100-L104 WeakPolarHBondContact O-CG 3.31Å; E100-L104 PolarHBondContact O-N 3.45Å |
| 101 | I | 96.3 | Very high | 95.6 | Very high | 115 Ų | 115 | 99.2 Ų | 99.2 | 59% | 0.59 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.2 | -43.2 | 174.3 | -70.3 | 166.2 | 0 | 0 | 0 | 110.4 | Q97 L104 H105 | Q97-I101 WeakPolarHBondContact O-CB 3.31Å; Q97-I101 VanDerWaalsContact O-CG1 3.26Å; Q97-I101 WeakPolarHBondContact O-CG1 3.33Å; Q97-I101 PolarHBondContact O-N 3.48Å; I101-L104 PolarHBondContact O-N 2.93Å; I101-H105 VanDerWaalsContact O-CB 3.27Å; I101-H105 WeakPolarHBondContact O-CB 3.36Å; I101-H105 PolarHBondContact O-N 2.99Å |
| 102 | S | 95.5 | Very high | 95.3 | Very high | 77 Ų | 77 | 98.1 Ų | 98.1 | 54% | 0.538 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 177.8 | -176 | 0 | 0 | 0 | 0 | 112.2 | S98 E99 E100 H105 S106 | S98-S102 WeakPolarHBondContact O-CB 3.25Å; S98-S102 PolarHBondContact O-N 3.03Å; E99-S102 PolarHBondContact O-N 3.36Å; E100-S102 VanDerWaalsContact C-N 3.3Å; E100-S102 PolarHBondContact O-N 3.44Å; S102-H105 PolarHBondContact O-N 3.12Å; S102-S106 PolarHBondContact O-N 2.88Å |
| 103 | K | 96.4 | Very high | 95 | Very high | 132 Ų | 132 | 97.8 Ų | 97.8 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.1 | -51.1 | 174.4 | -72.9 | 173 | -175.4 | 172.6 | 0 | 111.7 | E99 E100 H105 S106 Q107 | E99-K103 WeakPolarHBondContact O-CG 3.41Å; E99-K103 PolarHBondContact O-N 3.37Å; E100-K103 PolarHBondContact O-N 3.23Å; K103-H105 VanDerWaalsContact C-N 3.3Å; K103-H105 PolarHBondContact O-N 3.11Å; K103-S106 PolarHBondContact O-N 2.93Å; K103-S106 PolarHBondContact O-OG 3.46Å; K103-Q107 WeakPolarHBondContact O-CG 3.28Å; K103-Q107 PolarHBondContact O-N 3.47Å |
| 104 | L | 96.5 | Very high | 94.7 | Very high | 95 Ų | 95 | 98.8 Ų | 98.8 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 178 | -74 | 164.9 | 0 | 0 | 0 | 111.8 | E100 I101 Q107 L108 | E100-L104 HydrophobicContact CG-CD1 4.17Å; E100-L104 WeakPolarHBondContact O-CG 3.31Å; E100-L104 PolarHBondContact O-N 3.45Å; I101-L104 PolarHBondContact O-N 2.93Å; L104-Q107 PolarHBondContact O-N 3.47Å; L104-L108 WeakPolarHBondContact O-CB 2.98Å; L104-L108 PolarHBondContact O-N 3.48Å |
| 105 | H | 95.5 | Very high | 94.4 | Very high | 105 Ų | 105 | 94.6 Ų | 94.6 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 176.5 | -176.3 | 68.6 | 0 | 0 | 0 | 111.6 | I101 S102 K103 Q107 L108 V109 | I101-H105 VanDerWaalsContact O-CB 3.27Å; I101-H105 WeakPolarHBondContact O-CB 3.36Å; I101-H105 PolarHBondContact O-N 2.99Å; S102-H105 PolarHBondContact O-N 3.12Å; K103-H105 VanDerWaalsContact C-N 3.3Å; K103-H105 PolarHBondContact O-N 3.11Å; H105-Q107 VanDerWaalsContact C-N 3.31Å; H105-Q107 PolarHBondContact O-N 3.48Å; H105-L108 PolarHBondContact O-N 3.43Å; H105-V109 WeakPolarHBondContact O-CG2 3.47Å; H105-V109 PolarHBondContact O-N 3.17Å |
| 106 | S | 94 | Very high | 94 | Very high | 70 Ų | 70 | 93.9 Ų | 93.9 | 49% | 0.49 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.5 | -37.9 | 175 | 69.7 | 0 | 0 | 0 | 0 | 113.4 | S102 K103 A110 | S102-S106 PolarHBondContact O-N 2.88Å; K103-S106 PolarHBondContact O-N 2.93Å; K103-S106 PolarHBondContact O-OG 3.46Å; S106-A110 WeakPolarHBondContact O-CB 3.5Å; S106-A110 PolarHBondContact O-N 2.92Å |
| 107 | Q | 94.7 | Very high | 93.6 | Very high | 126 Ų | 126 | 92.5 Ų | 92.5 | 59% | 0.589 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.3 | -42.2 | 175.9 | -72.4 | 176.8 | -5.3 | 0 | 0 | 111.6 | K103 L104 H105 A110 L111 | K103-Q107 WeakPolarHBondContact O-CG 3.28Å; K103-Q107 PolarHBondContact O-N 3.47Å; L104-Q107 PolarHBondContact O-N 3.47Å; H105-Q107 VanDerWaalsContact C-N 3.31Å; H105-Q107 PolarHBondContact O-N 3.48Å; Q107-A110 PolarHBondContact O-N 2.79Å; Q107-L111 WeakPolarHBondContact O-CB 3.33Å; Q107-L111 PolarHBondContact O-N 3.01Å |
| 108 | L | 95.1 | Very high | 93.1 | Very high | 99 Ų | 99 | 95.2 Ų | 95.2 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 176.5 | -173.8 | 156.6 | 0 | 0 | 0 | 110.9 | L104 H105 A110 L111 Q112 | L104-L108 WeakPolarHBondContact O-CB 2.98Å; L104-L108 PolarHBondContact O-N 3.48Å; H105-L108 PolarHBondContact O-N 3.43Å; L108-A110 VanDerWaalsContact C-N 3.35Å; L108-A110 PolarHBondContact O-N 3.05Å; L108-L111 PolarHBondContact O-N 2.97Å; L108-Q112 WeakPolarHBondContact O-CB 3.42Å; L108-Q112 PolarHBondContact O-N 3.06Å |
| 109 | V | 93.6 | Very high | 92.6 | Very high | 54 Ų | 54 | 93.8 Ų | 93.8 | 33% | 0.327 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 177.3 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | H105 L111 Q112 I113 | H105-V109 WeakPolarHBondContact O-CG2 3.47Å; H105-V109 PolarHBondContact O-N 3.17Å; V109-L111 PolarHBondContact O-N 2.92Å; V109-Q112 PolarHBondContact O-N 3.3Å; V109-I113 HydrophobicContact CG1-CD1 4.07Å; V109-I113 VanDerWaalsContact O-CG1 3.31Å; V109-I113 WeakPolarHBondContact O-CG1 3.38Å; V109-I113 PolarHBondContact O-N 3.48Å |
| 110 | A | 92.3 | Very high | 92 | Very high | 49 Ų | 49 | 94.1 Ų | 94.1 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S106 Q107 L108 I113 I114 | S106-A110 WeakPolarHBondContact O-CB 3.5Å; S106-A110 PolarHBondContact O-N 2.92Å; Q107-A110 PolarHBondContact O-N 2.79Å; L108-A110 VanDerWaalsContact C-N 3.35Å; L108-A110 PolarHBondContact O-N 3.05Å; A110-I113 PolarHBondContact O-N 2.96Å; A110-I114 WeakPolarHBondContact O-CG1 3.3Å; A110-I114 PolarHBondContact O-N 2.89Å; A110-I114 VanDerWaalsContact O-N 3.11Å |
| 111 | L | 92.5 | Very high | 91.3 | Very high | 108 Ų | 108 | 93 Ų | 93 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.4 | -42.1 | 176.9 | -174.9 | 61.2 | 0 | 0 | 0 | 111.6 | Q107 L108 V109 I113 I114 C115 | Q107-L111 WeakPolarHBondContact O-CB 3.33Å; Q107-L111 PolarHBondContact O-N 3.01Å; L108-L111 PolarHBondContact O-N 2.97Å; V109-L111 PolarHBondContact O-N 2.92Å; L111-I113 VanDerWaalsContact C-N 3.31Å; L111-I113 PolarHBondContact O-N 3.29Å; L111-I114 WeakPolarHBondContact O-CB 3.39Å; L111-I114 PolarHBondContact O-N 3.26Å; L111-I114 VanDerWaalsContact O-N 3.11Å; L111-C115 PolarHBondContact O-N 3.5Å; L111-C115 PolarHBondContact O-SG 2.97Å |
| 112 | Q | 91.6 | Very high | 90.4 | Very high | 107 Ų | 107 | 90.2 Ų | 90.2 | 50% | 0.5 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59 | -41 | 175.9 | -176 | 176.8 | -0.6 | 0 | 0 | 112.1 | L108 V109 C115 Q116 | L108-Q112 WeakPolarHBondContact O-CB 3.42Å; L108-Q112 PolarHBondContact O-N 3.06Å; V109-Q112 PolarHBondContact O-N 3.3Å; Q112-C115 PolarHBondContact O-N 3.33Å; Q112-Q116 WeakPolarHBondContact O-CB 3.32Å; Q112-Q116 PolarHBondContact O-N 3.45Å |
| 113 | I | 90.7 | Very high | 89.6 | Confident | 92 Ų | 92 | 91.7 Ų | 91.7 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 175 | -67.5 | 164.3 | 0 | 0 | 0 | 110.9 | V109 A110 L111 Q116 N117 | V109-I113 HydrophobicContact CG1-CD1 4.07Å; V109-I113 VanDerWaalsContact O-CG1 3.31Å; V109-I113 WeakPolarHBondContact O-CG1 3.38Å; V109-I113 PolarHBondContact O-N 3.48Å; A110-I113 PolarHBondContact O-N 2.96Å; L111-I113 VanDerWaalsContact C-N 3.31Å; L111-I113 PolarHBondContact O-N 3.29Å; I113-Q116 PolarHBondContact O-N 3.47Å; I113-N117 WeakPolarHBondContact O-CB 3.48Å; I113-N117 PolarHBondContact O-N 3.39Å; I113-N117 PolarHBondContact O-ND2 3.41Å |
| 114 | I | 90.6 | Very high | 88.5 | Confident | 85 Ų | 85 | 92.6 Ų | 92.6 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -51.9 | 177.6 | -67.9 | 166.3 | 0 | 0 | 0 | 110.1 | A110 L111 Q116 N117 Y118 | A110-I114 WeakPolarHBondContact O-CG1 3.3Å; A110-I114 PolarHBondContact O-N 2.89Å; A110-I114 VanDerWaalsContact O-N 3.11Å; L111-I114 WeakPolarHBondContact O-CB 3.39Å; L111-I114 PolarHBondContact O-N 3.26Å; L111-I114 VanDerWaalsContact O-N 3.11Å; I114-Q116 VanDerWaalsContact C-N 3.31Å; I114-Q116 PolarHBondContact O-N 3Å; I114-N117 PolarHBondContact O-N 2.93Å; I114-Y118 HydrophobicContact CG2-CD2 3.64Å; I114-Y118 HydrophobicContact CG2-CE2 3.7Å; I114-Y118 WeakPolarHBondContact O-CD2 3.23Å; I114-Y118 PolarHBondContact O-N 3.28Å |
| 115 | C | 88.7 | Confident | 87.3 | Confident | 42 Ų | 42 | 95.6 Ų | 95.6 | 28% | 0.284 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -54.8 | -46.3 | 176.9 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | L111 Q112 N117 Y118 A119 E143 | L111-C115 PolarHBondContact O-N 3.5Å; L111-C115 PolarHBondContact O-SG 2.97Å; Q112-C115 PolarHBondContact O-N 3.33Å; C115-N117 PolarHBondContact O-N 3.4Å; C115-Y118 PolarHBondContact O-N 2.69Å; C115-A119 WeakPolarHBondContact O-CB 3.24Å; C115-A119 PolarHBondContact O-N 3.06Å; C115-E143 VanDerWaalsContact CB-OE1 3.25Å; C115-E143 WeakPolarHBondContact CB-OE1 3.34Å; C115-E143 PolarHBondContact SG-OE1 3.23Å |
| 116 | Q | 88.5 | Confident | 85.6 | Confident | 113 Ų | 113 | 95.1 Ų | 95.1 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 177.8 | -174.4 | 69.4 | -4.8 | 0 | 0 | 112.3 | Q112 I113 I114 A119 Q120 | Q112-Q116 WeakPolarHBondContact O-CB 3.32Å; Q112-Q116 PolarHBondContact O-N 3.45Å; I113-Q116 PolarHBondContact O-N 3.47Å; I114-Q116 VanDerWaalsContact C-N 3.31Å; I114-Q116 PolarHBondContact O-N 3Å; Q116-A119 PolarHBondContact O-N 3.23Å; Q116-Q120 WeakPolarHBondContact O-CG 3.37Å; Q116-Q120 PolarHBondContact O-N 3.33Å |
| 117 | N | 87.6 | Confident | 83.8 | Confident | 77 Ų | 77 | 97.4 Ų | 97.4 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 177 | -70.9 | -20 | 0 | 0 | 0 | 111.6 | I113 I114 C115 Q120 M121 | I113-N117 WeakPolarHBondContact O-CB 3.48Å; I113-N117 PolarHBondContact O-N 3.39Å; I113-N117 PolarHBondContact O-ND2 3.41Å; I114-N117 PolarHBondContact O-N 2.93Å; C115-N117 PolarHBondContact O-N 3.4Å; N117-Q120 PolarHBondContact O-N 2.97Å; N117-M121 VanDerWaalsContact O-CG 3.32Å; N117-M121 WeakPolarHBondContact O-CG 3.4Å; N117-M121 PolarHBondContact O-N 2.87Å |
| 118 | Y | 87.1 | Confident | 81.8 | Confident | 169 Ų | 169 | 95.9 Ų | 95.9 | 66% | 0.663 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.7 | -42.9 | 175.8 | -91.7 | -81.9 | 0 | 0 | 0 | 112 | I114 C115 Q120 M121 A122 | I114-Y118 HydrophobicContact CG2-CD2 3.64Å; I114-Y118 HydrophobicContact CG2-CE2 3.7Å; I114-Y118 WeakPolarHBondContact O-CD2 3.23Å; I114-Y118 PolarHBondContact O-N 3.28Å; C115-Y118 PolarHBondContact O-N 2.69Å; Y118-Q120 PolarHBondContact O-N 2.99Å; Y118-M121 PolarHBondContact O-N 3.21Å; Y118-A122 WeakPolarHBondContact O-CB 3.38Å; Y118-A122 PolarHBondContact O-N 3.42Å |
| 119 | A | 83.9 | Confident | 79.6 | Confident | 45 Ų | 45 | 96 Ų | 96 | 37% | 0.372 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C115 Q116 A122 V123 | C115-A119 WeakPolarHBondContact O-CB 3.24Å; C115-A119 PolarHBondContact O-N 3.06Å; Q116-A119 PolarHBondContact O-N 3.23Å; A119-A122 PolarHBondContact O-N 2.95Å; A119-V123 WeakPolarHBondContact O-CG2 3.33Å; A119-V123 PolarHBondContact O-N 3.19Å |
| 120 | Q | 84.7 | Confident | 77.4 | Confident | 97 Ų | 97 | 101.3 Ų | 101.3 | 45% | 0.453 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 177 | -72.7 | 179.4 | -12.9 | 0 | 0 | 112.7 | Q116 N117 Y118 A122 V123 Q124 | Q116-Q120 WeakPolarHBondContact O-CG 3.37Å; Q116-Q120 PolarHBondContact O-N 3.33Å; N117-Q120 PolarHBondContact O-N 2.97Å; Y118-Q120 PolarHBondContact O-N 2.99Å; Q120-A122 VanDerWaalsContact C-N 3.32Å; Q120-A122 PolarHBondContact O-N 3.38Å; Q120-V123 PolarHBondContact O-N 3.32Å; Q120-Q124 WeakPolarHBondContact O-CG 3.33Å; Q120-Q124 PolarHBondContact O-N 2.87Å |
| 121 | M | 82.6 | Confident | 75.2 | Confident | 97 Ų | 97 | 104.6 Ų | 104.6 | 48% | 0.478 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.2 | -35.4 | 177.1 | -71.3 | -179.8 | 73.2 | 0 | 0 | 112.6 | N117 Y118 K125 | N117-M121 VanDerWaalsContact O-CG 3.32Å; N117-M121 WeakPolarHBondContact O-CG 3.4Å; N117-M121 PolarHBondContact O-N 2.87Å; Y118-M121 PolarHBondContact O-N 3.21Å; M121-K125 WeakPolarHBondContact O-CB 3.46Å; M121-K125 WeakPolarHBondContact O-CG 3.39Å; M121-K125 PolarHBondContact O-N 3.26Å |
| 122 | A | 77.5 | Confident | 72.7 | Confident | 56 Ų | 56 | 106 Ų | 106 | 46% | 0.463 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.1 | -43 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y118 A119 Q120 N126 | Y118-A122 WeakPolarHBondContact O-CB 3.38Å; Y118-A122 PolarHBondContact O-N 3.42Å; A119-A122 PolarHBondContact O-N 2.95Å; Q120-A122 VanDerWaalsContact C-N 3.32Å; Q120-A122 PolarHBondContact O-N 3.38Å; A122-N126 PolarHBondContact O-N 2.96Å |
| 123 | V | 77.2 | Confident | 70.3 | Confident | 108 Ų | 108 | 108.7 Ų | 108.7 | 66% | 0.655 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.1 | -42.4 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | A119 Q120 N126 | A119-V123 WeakPolarHBondContact O-CG2 3.33Å; A119-V123 PolarHBondContact O-N 3.19Å; Q120-V123 PolarHBondContact O-N 3.32Å; V123-N126 CarbonylContact O-C 3.43Å; V123-N126 PolarHBondContact O-N 3.42Å |
| 124 | Q | 74.8 | Confident | 68.4 | Low | 151 Ų | 151 | 110.2 Ų | 110.2 | 71% | 0.706 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.4 | -38.1 | -179.7 | -74 | 177.3 | 2.8 | 0 | 0 | 113.6 | Q120 N126 | Q120-Q124 WeakPolarHBondContact O-CG 3.33Å; Q120-Q124 PolarHBondContact O-N 2.87Å; Q124-N126 VanDerWaalsContact C-N 3.35Å |
| 125 | K | 70.8 | Confident | 66.3 | Low | 158 Ų | 158 | 113.2 Ų | 113.2 | 69% | 0.687 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.1 | -26.5 | 179.5 | -77.8 | -175.8 | 178 | -177.8 | 0 | 113.2 | M121 | M121-K125 WeakPolarHBondContact O-CB 3.46Å; M121-K125 WeakPolarHBondContact O-CG 3.39Å; M121-K125 PolarHBondContact O-N 3.26Å |
| 126 | N | 59.5 | Low | 64.4 | Low | 94 Ų | 94 | 114.9 Ų | 114.9 | 50% | 0.503 | 62% | 0.615 | S | S | . | * | trans | -125.7 | 77.4 | -177.8 | -66.2 | -42 | 0 | 0 | 0 | 111.1 | A122 V123 Q124 S128 F129 | A122-N126 PolarHBondContact O-N 2.96Å; V123-N126 CarbonylContact O-C 3.43Å; V123-N126 PolarHBondContact O-N 3.42Å; Q124-N126 VanDerWaalsContact C-N 3.35Å; N126-S128 PolarHBondContact O-N 3.48Å; N126-F129 HydrophobicContact CB-CB 4.32Å; N126-F129 WeakPolarHBondContact O-CB 3.39Å; N126-F129 PolarHBondContact O-N 2.86Å | ||
| 127 | P | 55.5 | Low | 62.6 | Low | 119 Ų | 119 | 112 Ų | 112 | 77% | 0.773 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -14.6 | 172.2 | 26.6 | -32.9 | 0 | 0 | 0 | 113.1 | ||
| 128 | S | 52.4 | Low | 60.7 | Low | 93 Ų | 93 | 111.9 Ų | 111.9 | 65% | 0.65 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 23.1 | 176.6 | -47.3 | 0 | 0 | 0 | 0 | 113.9 | N126 D130 T131 | N126-S128 PolarHBondContact O-N 3.48Å; S128-D130 PolarHBondContact O-N 3.49Å; S128-D130 VanDerWaalsContact O-N 3.09Å; S128-T131 PolarHBondContact O-N 2.94Å; S128-T131 PolarHBondContact O-OG1 3.13Å |
| 129 | F | 50.6 | Low | 59 | Low | 101 Ų | 101 | 112.1 Ų | 112.1 | 44% | 0.443 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -66.8 | -5.5 | -175.7 | -169.3 | -104.3 | 0 | 0 | 0 | 114.9 | N126 T131 L140 | N126-F129 HydrophobicContact CB-CB 4.32Å; N126-F129 WeakPolarHBondContact O-CB 3.39Å; N126-F129 PolarHBondContact O-N 2.86Å; F129-T131 PolarHBondContact O-N 2.78Å; F129-L140 HydrophobicContact CE1-CD1 4.23Å; F129-L140 HydrophobicContact CZ-CD1 4.11Å |
| 130 | D | 46.4 | Very low | 57.5 | Low | 167 Ų | 167 | 114 Ų | 114 | 89% | 0.893 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -66.5 | -10.9 | 172.4 | -88.4 | -16.6 | 0 | 0 | 0 | 114.1 | S128 | S128-D130 PolarHBondContact O-N 3.49Å; S128-D130 VanDerWaalsContact O-N 3.09Å |
| 131 | T | 45.4 | Very low | 55.9 | Low | 118 Ų | 118 | 116.3 Ų | 116.3 | 72% | 0.724 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -112.9 | 9.8 | -176.6 | 57.5 | 0 | 0 | 0 | 0 | 115.9 | S128 F129 | S128-T131 PolarHBondContact O-N 2.94Å; S128-T131 PolarHBondContact O-OG1 3.13Å; F129-T131 PolarHBondContact O-N 2.78Å |
| 132 | L | 41 | Very low | 54.6 | Low | 136 Ų | 136 | 119 Ų | 119 | 71% | 0.712 | 64% | 0.636 | S | S | * | * | trans | -105 | 74.1 | 171.5 | -100.6 | 141.4 | 0 | 0 | 0 | 110.7 | ||||
| 133 | E | 40.7 | Very low | 53.6 | Low | 165 Ų | 165 | 120.8 Ų | 120.8 | 77% | 0.771 | 63% | 0.634 | S | S | * | * | trans | -52.2 | 134.8 | 158.8 | -75 | -175.2 | 148.4 | 0 | 0 | 111.1 | ||||
| 134 | T | 50.9 | Low | 52.8 | Low | 124 Ų | 124 | 121.9 Ų | 121.9 | 76% | 0.761 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 103.6 | -12.1 | 138.6 | 52.6 | 0 | 0 | 0 | 0 | 124.9 | ||
| 135 | D | 46.9 | Very low | 52 | Low | 147 Ų | 147 | 118.7 Ų | 118.7 | 79% | 0.786 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -128.8 | -8 | 178.1 | -96.4 | -24.3 | 0 | 0 | 0 | 119 | ||
| 136 | T | 47.9 | Very low | 51.7 | Low | 78 Ų | 78 | 113.7 Ų | 113.7 | 48% | 0.479 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -114.4 | 1.1 | 178 | 53.4 | 0 | 0 | 0 | 0 | 114.8 | P138 Y139 L140 | T136-P138 VanDerWaalsContact C-N 3.29Å; T136-Y139 PolarHBondContact O-N 2.78Å; T136-L140 PolarHBondContact O-N 2.8Å |
| 137 | A | 51.7 | Low | 51.9 | Low | 53 Ų | 53 | 111.8 Ų | 111.8 | 44% | 0.438 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -50.8 | -33.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y139 K141 | A137-Y139 VanDerWaalsContact C-N 3.32Å; A137-Y139 PolarHBondContact O-N 2.83Å; A137-K141 WeakPolarHBondContact O-CB 3.44Å; A137-K141 WeakPolarHBondContact O-CG 3.39Å; A137-K141 PolarHBondContact O-N 3.45Å; A137-K141 VanDerWaalsContact O-N 3.08Å |
| 138 | P | 47.1 | Very low | 52.4 | Low | 73 Ų | 73 | 112.7 Ų | 112.7 | 47% | 0.474 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.8 | -31.2 | 174.8 | 22.8 | -32.2 | 0 | 0 | 0 | 113.1 | T136 F142 | T136-P138 VanDerWaalsContact C-N 3.29Å; P138-F142 WeakPolarHBondContact O-CB 3.48Å; P138-F142 PolarHBondContact O-N 3.05Å |
| 139 | Y | 51.2 | Low | 53.4 | Low | 174 Ų | 174 | 112 Ų | 112 | 68% | 0.682 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.7 | -44.7 | 179.6 | -76.7 | -86.4 | 0 | 0 | 0 | 111.8 | T136 A137 F142 E143 | T136-Y139 PolarHBondContact O-N 2.78Å; A137-Y139 VanDerWaalsContact C-N 3.32Å; A137-Y139 PolarHBondContact O-N 2.83Å; Y139-F142 PolarHBondContact O-N 3.47Å; Y139-E143 WeakPolarHBondContact O-CB 3.36Å; Y139-E143 PolarHBondContact O-N 2.76Å |
| 140 | L | 53 | Low | 54.2 | Low | 86 Ų | 86 | 113.4 Ų | 113.4 | 45% | 0.45 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.6 | -35.2 | 176 | -80.7 | 155 | 0 | 0 | 0 | 112.5 | F129 T136 E143 L144 | F129-L140 HydrophobicContact CE1-CD1 4.23Å; F129-L140 HydrophobicContact CZ-CD1 4.11Å; T136-L140 PolarHBondContact O-N 2.8Å; L140-E143 PolarHBondContact O-N 3.15Å; L140-L144 WeakPolarHBondContact O-CB 3.35Å; L140-L144 PolarHBondContact O-N 2.88Å |
| 141 | K | 51.5 | Low | 55.5 | Low | 145 Ų | 145 | 109.9 Ų | 109.9 | 63% | 0.63 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.5 | -40.6 | 172.1 | -78 | 176.5 | 179.6 | 177.5 | 0 | 111.5 | A137 V145 | A137-K141 WeakPolarHBondContact O-CB 3.44Å; A137-K141 WeakPolarHBondContact O-CG 3.39Å; A137-K141 PolarHBondContact O-N 3.45Å; A137-K141 VanDerWaalsContact O-N 3.08Å; K141-V145 WeakPolarHBondContact O-CB 3.3Å; K141-V145 WeakPolarHBondContact O-CG2 3.32Å; K141-V145 PolarHBondContact O-N 2.75Å |
| 142 | F | 54 | Low | 56.9 | Low | 152 Ų | 152 | 109 Ų | 109 | 67% | 0.667 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62 | -46.9 | 172.4 | -106.6 | -93.5 | 0 | 0 | 0 | 111 | P138 Y139 L144 V145 V146 | P138-F142 WeakPolarHBondContact O-CB 3.48Å; P138-F142 PolarHBondContact O-N 3.05Å; Y139-F142 PolarHBondContact O-N 3.47Å; F142-L144 VanDerWaalsContact C-N 3.33Å; F142-L144 PolarHBondContact O-N 3.45Å; F142-V145 PolarHBondContact O-N 3.26Å; F142-V146 HydrophobicContact CD1-CG2 3.77Å; F142-V146 HydrophobicContact CE1-CG2 4.4Å; F142-V146 WeakPolarHBondContact O-CB 3.45Å; F142-V146 WeakPolarHBondContact O-CG2 3.41Å; F142-V146 PolarHBondContact O-N 2.92Å |
| 143 | E | 57.4 | Low | 58.4 | Low | 94 Ų | 94 | 106 Ų | 106 | 44% | 0.439 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.6 | -32.7 | -179 | -153.8 | 90.6 | -154.7 | 0 | 0 | 113.3 | C115 Y139 L140 P147 | C115-E143 VanDerWaalsContact CB-OE1 3.25Å; C115-E143 WeakPolarHBondContact CB-OE1 3.34Å; C115-E143 PolarHBondContact SG-OE1 3.23Å; Y139-E143 WeakPolarHBondContact O-CB 3.36Å; Y139-E143 PolarHBondContact O-N 2.76Å; L140-E143 PolarHBondContact O-N 3.15Å; E143-P147 WeakPolarHBondContact O-CD 3.28Å; E143-P147 WeakPolarHBondContact O-CG 3.38Å |
| 144 | L | 59.3 | Low | 59.8 | Low | 132 Ų | 132 | 105 Ų | 105 | 69% | 0.691 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -86.9 | -36.3 | 177.7 | -108.8 | 123.7 | 0 | 0 | 0 | 113.6 | L140 F142 | L140-L144 WeakPolarHBondContact O-CB 3.35Å; L140-L144 PolarHBondContact O-N 2.88Å; F142-L144 VanDerWaalsContact C-N 3.33Å; F142-L144 PolarHBondContact O-N 3.45Å |
| 145 | V | 59.7 | Low | 60.8 | Low | 83 Ų | 83 | 104.5 Ų | 104.5 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -76.3 | -38 | -178 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | K141 F142 K148 V149 | K141-V145 WeakPolarHBondContact O-CB 3.3Å; K141-V145 WeakPolarHBondContact O-CG2 3.32Å; K141-V145 PolarHBondContact O-N 2.75Å; F142-V145 PolarHBondContact O-N 3.26Å; V145-K148 PolarHBondContact O-N 3.41Å; V145-V149 HydrophobicContact CG1-CG2 3.78Å; V145-V149 VanDerWaalsContact O-CG2 3.29Å; V145-V149 WeakPolarHBondContact O-CG2 3.31Å; V145-V149 PolarHBondContact O-N 3.27Å |
| 146 | V | 62.9 | Low | 62.2 | Low | 53 Ų | 53 | 101.5 Ų | 101.5 | 32% | 0.321 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.8 | -49.8 | -175.2 | 171 | 0 | 0 | 0 | 0 | 112.2 | F142 K148 V149 F150 | F142-V146 HydrophobicContact CD1-CG2 3.77Å; F142-V146 HydrophobicContact CE1-CG2 4.4Å; F142-V146 WeakPolarHBondContact O-CB 3.45Å; F142-V146 WeakPolarHBondContact O-CG2 3.41Å; F142-V146 PolarHBondContact O-N 2.92Å; V146-K148 VanDerWaalsContact C-N 3.33Å; V146-K148 PolarHBondContact O-N 3.27Å; V146-V149 PolarHBondContact O-N 3.46Å; V146-F150 HydrophobicContact CG1-CD2 3.45Å; V146-F150 VanDerWaalsContact CG1-CD2 3.45Å; V146-F150 HydrophobicContact CG1-CE2 3.27Å; V146-F150 WeakPolarHBondContact O-CB 3.44Å; V146-F150 WeakPolarHBondContact O-CD2 3.34Å; V146-F150 PolarHBondContact O-N 3.47Å |
| 147 | P | 63.8 | Low | 63.2 | Low | 55 Ų | 55 | 106 Ų | 106 | 36% | 0.357 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 175.2 | -23.8 | 33.9 | 0 | 0 | 0 | 112.5 | E143 V149 F150 D151 | E143-P147 WeakPolarHBondContact O-CD 3.28Å; E143-P147 WeakPolarHBondContact O-CG 3.38Å; P147-V149 PolarHBondContact O-N 2.83Å; P147-F150 PolarHBondContact O-N 3.17Å; P147-D151 WeakPolarHBondContact O-CB 3.12Å; P147-D151 VanDerWaalsContact O-CG 3.31Å; P147-D151 PolarHBondContact O-N 2.84Å |
| 148 | K | 67.4 | Low | 63.5 | Low | 138 Ų | 138 | 108.6 Ų | 108.6 | 60% | 0.6 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.2 | -42.3 | -179.3 | -168.4 | 176.4 | -179.7 | 179.6 | 0 | 112.4 | V145 V146 F150 D151 D152 | V145-K148 PolarHBondContact O-N 3.41Å; V146-K148 VanDerWaalsContact C-N 3.33Å; V146-K148 PolarHBondContact O-N 3.27Å; K148-F150 VanDerWaalsContact C-N 3.31Å; K148-F150 PolarHBondContact O-N 2.88Å; K148-D151 PolarHBondContact O-N 3.11Å; K148-D152 WeakPolarHBondContact O-CB 3.44Å; K148-D152 PolarHBondContact O-N 3.28Å |
| 149 | V | 71.8 | Confident | 63.5 | Low | 78 Ų | 78 | 115.8 Ų | 115.8 | 47% | 0.473 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.5 | -38.7 | 175 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | V145 V146 P147 V153 | V145-V149 HydrophobicContact CG1-CG2 3.78Å; V145-V149 VanDerWaalsContact O-CG2 3.29Å; V145-V149 WeakPolarHBondContact O-CG2 3.31Å; V145-V149 PolarHBondContact O-N 3.27Å; V146-V149 PolarHBondContact O-N 3.46Å; P147-V149 PolarHBondContact O-N 2.83Å; V149-V153 HydrophobicContact CG1-CG2 4.48Å; V149-V153 WeakPolarHBondContact O-CB 3.26Å; V149-V153 WeakPolarHBondContact O-CG2 3.14Å; V149-V153 PolarHBondContact O-N 2.85Å |
| 150 | F | 67.3 | Low | 64.1 | Low | 130 Ų | 130 | 112.9 Ų | 112.9 | 57% | 0.57 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.1 | -41.7 | 176.4 | -80.9 | -61.2 | 0 | 0 | 0 | 112.8 | V146 P147 K148 V153 Y154 | V146-F150 HydrophobicContact CG1-CD2 3.45Å; V146-F150 VanDerWaalsContact CG1-CD2 3.45Å; V146-F150 HydrophobicContact CG1-CE2 3.27Å; V146-F150 WeakPolarHBondContact O-CB 3.44Å; V146-F150 WeakPolarHBondContact O-CD2 3.34Å; V146-F150 PolarHBondContact O-N 3.47Å; P147-F150 PolarHBondContact O-N 3.17Å; K148-F150 VanDerWaalsContact C-N 3.31Å; K148-F150 PolarHBondContact O-N 2.88Å; F150-V153 PolarHBondContact O-N 3.28Å; F150-Y154 WeakPolarHBondContact O-CB 3.3Å; F150-Y154 PolarHBondContact O-N 2.65Å |
| 151 | D | 73.8 | Confident | 64.7 | Low | 94 Ų | 94 | 114.3 Ų | 114.3 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.8 | -45.1 | 175.4 | -73 | -23.7 | 0 | 0 | 0 | 110.9 | P147 K148 V153 Y154 Q155 | P147-D151 WeakPolarHBondContact O-CB 3.12Å; P147-D151 VanDerWaalsContact O-CG 3.31Å; P147-D151 PolarHBondContact O-N 2.84Å; K148-D151 PolarHBondContact O-N 3.11Å; D151-V153 PolarHBondContact O-N 3.11Å; D151-Y154 PolarHBondContact O-N 3.42Å; D151-Q155 VanDerWaalsContact O-CG 3.31Å; D151-Q155 WeakPolarHBondContact O-CG 3.39Å; D151-Q155 PolarHBondContact O-N 2.8Å |
| 152 | D | 75 | Confident | 65.4 | Low | 99 Ų | 99 | 112.6 Ų | 112.6 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.2 | -42 | 177.6 | -71.3 | -19.4 | 0 | 0 | 0 | 111.7 | K148 Q155 S156 | K148-D152 WeakPolarHBondContact O-CB 3.44Å; K148-D152 PolarHBondContact O-N 3.28Å; D152-Q155 PolarHBondContact O-N 2.88Å; D152-S156 WeakPolarHBondContact O-CB 2.95Å; D152-S156 PolarHBondContact O-N 2.99Å |
| 153 | V | 73.6 | Confident | 66.1 | Low | 73 Ų | 73 | 110.2 Ų | 110.2 | 44% | 0.442 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.1 | -33.7 | 176.1 | 170.7 | 0 | 0 | 0 | 0 | 112.1 | V149 F150 D151 S156 | V149-V153 HydrophobicContact CG1-CG2 4.48Å; V149-V153 WeakPolarHBondContact O-CB 3.26Å; V149-V153 WeakPolarHBondContact O-CG2 3.14Å; V149-V153 PolarHBondContact O-N 2.85Å; F150-V153 PolarHBondContact O-N 3.28Å; D151-V153 PolarHBondContact O-N 3.11Å; V153-S156 PolarHBondContact O-OG 2.93Å |
| 154 | Y | 69.9 | Low | 66.6 | Low | 144 Ų | 144 | 111.3 Ų | 111.3 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.6 | -46.6 | 175.8 | -172.6 | -98.7 | 0 | 0 | 0 | 110.9 | F150 D151 S156 K157 L158 | F150-Y154 WeakPolarHBondContact O-CB 3.3Å; F150-Y154 PolarHBondContact O-N 2.65Å; D151-Y154 PolarHBondContact O-N 3.42Å; Y154-S156 VanDerWaalsContact C-N 3.34Å; Y154-S156 PolarHBondContact O-N 2.7Å; Y154-K157 PolarHBondContact O-N 3.12Å; Y154-L158 HydrophobicContact CD1-CD1 3.68Å; Y154-L158 HydrophobicContact CE1-CD1 3.31Å |
| 155 | Q | 72.8 | Confident | 67.1 | Low | 114 Ų | 114 | 109.9 Ų | 109.9 | 53% | 0.533 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.6 | -35.5 | 177.4 | -66.4 | -60.6 | -26.3 | 0 | 0 | 112.4 | D151 D152 K157 L158 | D151-Q155 VanDerWaalsContact O-CG 3.31Å; D151-Q155 WeakPolarHBondContact O-CG 3.39Å; D151-Q155 PolarHBondContact O-N 2.8Å; D152-Q155 PolarHBondContact O-N 2.88Å; Q155-K157 PolarHBondContact O-N 2.8Å; Q155-L158 PolarHBondContact O-N 3.23Å |
| 156 | S | 75.8 | Confident | 67.6 | Low | 83 Ų | 83 | 111.8 Ų | 111.8 | 58% | 0.58 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -17.6 | -180 | 83.2 | 0 | 0 | 0 | 0 | 114.4 | D152 V153 Y154 | D152-S156 WeakPolarHBondContact O-CB 2.95Å; D152-S156 PolarHBondContact O-N 2.99Å; V153-S156 PolarHBondContact O-OG 2.93Å; Y154-S156 VanDerWaalsContact C-N 3.34Å; Y154-S156 PolarHBondContact O-N 2.7Å |
| 157 | K | 67.4 | Low | 68 | Low | 174 Ų | 174 | 116.3 Ų | 116.3 | 76% | 0.757 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -5.4 | 179.4 | -73.7 | -171.8 | 178.6 | -174.4 | 0 | 113.9 | Y154 Q155 H159 | Y154-K157 PolarHBondContact O-N 3.12Å; Q155-K157 PolarHBondContact O-N 2.8Å; K157-H159 VanDerWaalsContact C-N 3.34Å |
| 158 | L | 58.8 | Low | 68.4 | Low | 107 Ų | 107 | 121.4 Ų | 121.4 | 56% | 0.56 | 60% | 0.595 | S | S | * | * | trans | -86.3 | -5.5 | 177.3 | -101.2 | 141.8 | 0 | 0 | 0 | 113.2 | Y154 Q155 | Y154-L158 HydrophobicContact CD1-CD1 3.68Å; Y154-L158 HydrophobicContact CE1-CD1 3.31Å; Q155-L158 PolarHBondContact O-N 3.23Å | ||
| 159 | H | 46.8 | Very low | 68.4 | Low | 223 Ų | 223 | 119.9 Ų | 119.9 | 100% | 1.032 | 60% | 0.595 | S | S | * | * | trans | -117.4 | 0 | 172 | -68.2 | -66.3 | 0 | 0 | 0 | 110.5 | K157 | K157-H159 VanDerWaalsContact C-N 3.34Š|
Retrieved 159 of 159 residues in 72.9 ms
(Link to these results)