| 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 | 39.8 | Very low | 44.2 | Very low | 204 Ų | 204 | 133.3 Ų | 133.3 | 100% | 1.005 | 63% | 0.628 | S | S | * | * | 0 | -46.4 | 0 | -78.9 | -169.1 | 92.5 | 0 | 0 | 113.5 | T3 L4 F5 | M1-T3 VanDerWaalsContact C-N 3.34Å; M1-T3 PolarHBondContact O-N 2.78Å; M1-L4 PolarHBondContact O-N 3.19Å; M1-F5 PolarHBondContact O-N 3.23Å; M1-F5 VanDerWaalsContact O-N 3.1Å | |||
| 2 | L | 35.3 | Very low | 44.2 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 73% | 0.728 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.4 | -37.4 | -179.9 | -85.7 | 154.4 | 0 | 0 | 0 | 114.8 | F5 Y6 | L2-F5 PolarHBondContact O-N 3.27Å; L2-Y6 WeakPolarHBondContact O-CB 3.43Å; L2-Y6 PolarHBondContact O-N 3.07Å |
| 3 | T | 43.3 | Very low | 44.5 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 66% | 0.656 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.3 | -39 | 177.5 | 42.3 | 0 | 0 | 0 | 0 | 112.9 | M1 F7 | M1-T3 VanDerWaalsContact C-N 3.34Å; M1-T3 PolarHBondContact O-N 2.78Å; T3-F7 PolarHBondContact O-N 3.24Å |
| 4 | L | 41.3 | Very low | 44.3 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 65% | 0.649 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.8 | -43.4 | 174.5 | -71.5 | 171.8 | 0 | 0 | 0 | 110.7 | M1 Y6 F7 S8 | M1-L4 PolarHBondContact O-N 3.19Å; L4-Y6 PolarHBondContact O-N 2.97Å; L4-F7 PolarHBondContact O-N 3.44Å; L4-S8 PolarHBondContact O-N 2.96Å; L4-S8 PolarHBondContact O-OG 2.97Å |
| 5 | F | 43.3 | Very low | 44 | Very low | 138 Ų | 138 | 121.8 Ų | 121.8 | 61% | 0.605 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.9 | -41.9 | 177 | -167.9 | -106.1 | 0 | 0 | 0 | 112.4 | M1 L2 S8 I9 | M1-F5 PolarHBondContact O-N 3.23Å; M1-F5 VanDerWaalsContact O-N 3.1Å; L2-F5 PolarHBondContact O-N 3.27Å; F5-S8 WeakPolarHBondContact O-CB 3.49Å; F5-S8 PolarHBondContact O-N 3.07Å; F5-I9 HydrophobicContact CD1-CD1 3.7Å; F5-I9 HydrophobicContact CE1-CD1 3.33Å; F5-I9 HydrophobicContact CE1-CG1 4.31Å; F5-I9 HydrophobicContact CZ-CD1 3.87Å; F5-I9 WeakPolarHBondContact O-CG1 3.36Å; F5-I9 PolarHBondContact O-N 3.34Å |
| 6 | Y | 49.5 | Very low | 43.7 | Very low | 145 Ų | 145 | 120.1 Ų | 120.1 | 57% | 0.569 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.2 | -43.6 | 173.6 | -179.1 | -97.7 | 0 | 0 | 0 | 112 | L2 L4 I9 R10 | L2-Y6 WeakPolarHBondContact O-CB 3.43Å; L2-Y6 PolarHBondContact O-N 3.07Å; L4-Y6 PolarHBondContact O-N 2.97Å; Y6-I9 PolarHBondContact O-N 3.06Å; Y6-R10 WeakPolarHBondContact O-CB 3.45Å; Y6-R10 PolarHBondContact O-N 3.22Å |
| 7 | F | 46.7 | Very low | 43.4 | Very low | 135 Ų | 135 | 118.8 Ų | 118.8 | 59% | 0.592 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.1 | -37.8 | 175.7 | -102.8 | -81.2 | 0 | 0 | 0 | 112.5 | T3 L4 R10 R11 | T3-F7 PolarHBondContact O-N 3.24Å; L4-F7 PolarHBondContact O-N 3.44Å; F7-R10 PolarHBondContact O-N 3.1Å; F7-R11 VanDerWaalsContact O-CB 3.25Å; F7-R11 WeakPolarHBondContact O-CB 3.33Å; F7-R11 PolarHBondContact O-N 3.49Å |
| 8 | S | 47.7 | Very low | 42.9 | Very low | 69 Ų | 69 | 119.7 Ų | 119.7 | 48% | 0.483 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61 | -50.2 | 174.5 | -56.8 | 0 | 0 | 0 | 0 | 111 | L4 F5 R10 R11 Q12 | L4-S8 PolarHBondContact O-N 2.96Å; L4-S8 PolarHBondContact O-OG 2.97Å; F5-S8 WeakPolarHBondContact O-CB 3.49Å; F5-S8 PolarHBondContact O-N 3.07Å; S8-R10 PolarHBondContact O-N 3.36Å; S8-R11 PolarHBondContact O-N 3.44Å; S8-Q12 WeakPolarHBondContact O-CB 3.42Å; S8-Q12 PolarHBondContact O-N 3.25Å |
| 9 | I | 44.5 | Very low | 42.5 | Very low | 68 Ų | 68 | 118.7 Ų | 118.7 | 35% | 0.349 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.7 | -45.6 | 177.6 | -69.2 | 173.8 | 0 | 0 | 0 | 110.5 | F5 Y6 R11 Q12 I13 | F5-I9 HydrophobicContact CD1-CD1 3.7Å; F5-I9 HydrophobicContact CE1-CD1 3.33Å; F5-I9 HydrophobicContact CE1-CG1 4.31Å; F5-I9 HydrophobicContact CZ-CD1 3.87Å; F5-I9 WeakPolarHBondContact O-CG1 3.36Å; F5-I9 PolarHBondContact O-N 3.34Å; Y6-I9 PolarHBondContact O-N 3.06Å; I9-R11 VanDerWaalsContact C-N 3.33Å; I9-R11 PolarHBondContact O-N 3.32Å; I9-Q12 PolarHBondContact O-N 3.03Å; I9-Q12 VanDerWaalsContact O-N 3.16Å; I9-I13 HydrophobicContact CG2-CD1 3.61Å; I9-I13 HydrophobicContact CG2-CG1 4.25Å; I9-I13 VanDerWaalsContact O-CG1 3.29Å; I9-I13 WeakPolarHBondContact O-CG1 3.2Å; I9-I13 PolarHBondContact O-N 2.86Å |
| 10 | R | 50.4 | Low | 42.1 | Very low | 153 Ų | 153 | 115.6 Ų | 115.6 | 58% | 0.577 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.3 | -39.5 | -179.8 | -158.3 | -176.5 | -170.7 | -156.1 | 3.4 | 111.9 | Y6 F7 S8 A14 | Y6-R10 WeakPolarHBondContact O-CB 3.45Å; Y6-R10 PolarHBondContact O-N 3.22Å; F7-R10 PolarHBondContact O-N 3.1Å; S8-R10 PolarHBondContact O-N 3.36Å; R10-A14 WeakPolarHBondContact O-CB 3.38Å; R10-A14 PolarHBondContact O-N 3.16Å |
| 11 | R | 44.7 | Very low | 41.7 | Very low | 184 Ų | 184 | 120.3 Ų | 120.3 | 69% | 0.694 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.1 | -36 | 175.2 | -166.3 | 176 | -175.6 | 179.7 | 0.5 | 111.6 | F7 S8 I9 A14 N15 | F7-R11 VanDerWaalsContact O-CB 3.25Å; F7-R11 WeakPolarHBondContact O-CB 3.33Å; F7-R11 PolarHBondContact O-N 3.49Å; S8-R11 PolarHBondContact O-N 3.44Å; I9-R11 VanDerWaalsContact C-N 3.33Å; I9-R11 PolarHBondContact O-N 3.32Å; R11-A14 PolarHBondContact O-N 3.49Å; R11-N15 WeakPolarHBondContact O-CB 3.34Å; R11-N15 PolarHBondContact O-N 3.16Å |
| 12 | Q | 44 | Very low | 41.3 | Very low | 127 Ų | 127 | 114.7 Ų | 114.7 | 59% | 0.593 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71 | -38.9 | 177.3 | -149.8 | 171.3 | 10.3 | 0 | 0 | 111.8 | S8 I9 N16 | S8-Q12 WeakPolarHBondContact O-CB 3.42Å; S8-Q12 PolarHBondContact O-N 3.25Å; I9-Q12 PolarHBondContact O-N 3.03Å; I9-Q12 VanDerWaalsContact O-N 3.16Å; Q12-N16 VanDerWaalsContact O-CB 3.27Å; Q12-N16 WeakPolarHBondContact O-CB 3.08Å; Q12-N16 VanDerWaalsContact O-CG 3.22Å; Q12-N16 PolarHBondContact O-N 3.46Å |
| 13 | I | 47.8 | Very low | 40.9 | Very low | 92 Ų | 92 | 113 Ų | 113 | 47% | 0.472 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.1 | -42.6 | 172.6 | -65.8 | 167.1 | 0 | 0 | 0 | 110.6 | I9 N16 N17 | I9-I13 HydrophobicContact CG2-CD1 3.61Å; I9-I13 HydrophobicContact CG2-CG1 4.25Å; I9-I13 VanDerWaalsContact O-CG1 3.29Å; I9-I13 WeakPolarHBondContact O-CG1 3.2Å; I9-I13 PolarHBondContact O-N 2.86Å; I13-N16 PolarHBondContact O-N 2.79Å; I13-N17 WeakPolarHBondContact O-CB 3.31Å; I13-N17 VanDerWaalsContact O-CG 3.25Å; I13-N17 PolarHBondContact O-N 3.41Å; I13-N17 PolarHBondContact O-OD1 2.96Å |
| 14 | A | 41.5 | Very low | 40.3 | Very low | 50 Ų | 50 | 117.4 Ų | 117.4 | 41% | 0.413 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.9 | -46.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R10 R11 N16 N17 D18 | R10-A14 WeakPolarHBondContact O-CB 3.38Å; R10-A14 PolarHBondContact O-N 3.16Å; R11-A14 PolarHBondContact O-N 3.49Å; A14-N16 VanDerWaalsContact C-N 3.34Å; A14-N16 PolarHBondContact O-N 2.87Å; A14-N17 PolarHBondContact O-N 3.1Å; A14-D18 PolarHBondContact O-N 3.27Å; A14-D18 VanDerWaalsContact O-N 3.17Å |
| 15 | N | 40.1 | Very low | 39.6 | Very low | 92 Ų | 92 | 119.4 Ų | 119.4 | 49% | 0.492 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.5 | -35.2 | 176.4 | -76 | 5.5 | 0 | 0 | 0 | 112.6 | R11 M19 | R11-N15 WeakPolarHBondContact O-CB 3.34Å; R11-N15 PolarHBondContact O-N 3.16Å; N15-M19 PolarHBondContact O-N 3.29Å; N15-M19 VanDerWaalsContact O-N 3.08Å |
| 16 | N | 39.6 | Very low | 38.9 | Very low | 95 Ų | 95 | 116.3 Ų | 116.3 | 51% | 0.508 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.7 | -31.8 | 177.1 | -78.4 | -2.2 | 0 | 0 | 0 | 112.5 | Q12 I13 A14 M19 S20 | Q12-N16 VanDerWaalsContact O-CB 3.27Å; Q12-N16 WeakPolarHBondContact O-CB 3.08Å; Q12-N16 VanDerWaalsContact O-CG 3.22Å; Q12-N16 PolarHBondContact O-N 3.46Å; I13-N16 PolarHBondContact O-N 2.79Å; A14-N16 VanDerWaalsContact C-N 3.34Å; A14-N16 PolarHBondContact O-N 2.87Å; N16-M19 CarbonylContact O-C 3.57Å; N16-M19 PolarHBondContact O-N 2.96Å; N16-S20 WeakPolarHBondContact O-CB 3.3Å; N16-S20 PolarHBondContact O-N 2.95Å |
| 17 | N | 37.6 | Very low | 37.8 | Very low | 97 Ų | 97 | 114.6 Ų | 114.6 | 52% | 0.519 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.1 | -37.3 | 175.5 | -73.3 | -2.6 | 0 | 0 | 0 | 111.2 | I13 A14 M19 S20 | I13-N17 WeakPolarHBondContact O-CB 3.31Å; I13-N17 VanDerWaalsContact O-CG 3.25Å; I13-N17 PolarHBondContact O-N 3.41Å; I13-N17 PolarHBondContact O-OD1 2.96Å; A14-N17 PolarHBondContact O-N 3.1Å; N17-M19 VanDerWaalsContact C-N 3.32Å; N17-M19 PolarHBondContact O-N 3.28Å; N17-S20 PolarHBondContact O-N 2.95Å; N17-S20 PolarHBondContact O-OG 3.07Å |
| 18 | D | 35.9 | Very low | 37.5 | Very low | 136 Ų | 136 | 114.1 Ų | 114.1 | 73% | 0.727 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.3 | -31.9 | 172.1 | -73.7 | -17 | 0 | 0 | 0 | 111.9 | A14 | A14-D18 PolarHBondContact O-N 3.27Å; A14-D18 VanDerWaalsContact O-N 3.17Å |
| 19 | M | 34.2 | Very low | 36.7 | Very low | 100 Ų | 100 | 118.8 Ų | 118.8 | 49% | 0.493 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -79 | -17.4 | 174 | -116.5 | -165.9 | -92.9 | 0 | 0 | 114.4 | N15 N16 N17 Y21 S22 L23 | N15-M19 PolarHBondContact O-N 3.29Å; N15-M19 VanDerWaalsContact O-N 3.08Å; N16-M19 CarbonylContact O-C 3.57Å; N16-M19 PolarHBondContact O-N 2.96Å; N17-M19 VanDerWaalsContact C-N 3.32Å; N17-M19 PolarHBondContact O-N 3.28Å; M19-Y21 PolarHBondContact O-N 3.44Å; M19-Y21 VanDerWaalsContact O-N 3.16Å; M19-S22 PolarHBondContact O-N 3.47Å; M19-S22 PolarHBondContact O-OG 3.46Å; M19-L23 HydrophobicContact CG-CD1 4.37Å; M19-L23 PolarHBondContact O-N 3Å; M19-L23 HydrophobicContact SD-CD1 3.79Å |
| 20 | S | 34.4 | Very low | 36.2 | Very low | 56 Ų | 56 | 119.7 Ų | 119.7 | 39% | 0.392 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.4 | -15.4 | -177.4 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | N16 N17 | N16-S20 WeakPolarHBondContact O-CB 3.3Å; N16-S20 PolarHBondContact O-N 2.95Å; N17-S20 PolarHBondContact O-N 2.95Å; N17-S20 PolarHBondContact O-OG 3.07Å |
| 21 | Y | 33.6 | Very low | 35.3 | Very low | 216 Ų | 216 | 120 Ų | 120 | 85% | 0.847 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -9.1 | 173.2 | -71.3 | -73.9 | 0 | 0 | 0 | 114.6 | M19 | M19-Y21 PolarHBondContact O-N 3.44Å; M19-Y21 VanDerWaalsContact O-N 3.16Å |
| 22 | S | 31.7 | Very low | 34.5 | Very low | 85 Ų | 85 | 121.7 Ų | 121.7 | 59% | 0.594 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -8.9 | 176.1 | 67.1 | 0 | 0 | 0 | 0 | 114.7 | M19 | M19-S22 PolarHBondContact O-N 3.47Å; M19-S22 PolarHBondContact O-OG 3.46Å |
| 23 | L | 27.4 | Very low | 34 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 55% | 0.55 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -89.3 | 2 | -172.3 | -135.8 | 114.3 | 0 | 0 | 0 | 115.6 | M19 N25 | M19-L23 HydrophobicContact CG-CD1 4.37Å; M19-L23 PolarHBondContact O-N 3Å; M19-L23 HydrophobicContact SD-CD1 3.79Å; L23-N25 PolarHBondContact O-N 3.35Å |
| 24 | F | 30.9 | Very low | 33.4 | Very low | 199 Ų | 199 | 124.7 Ų | 124.7 | 87% | 0.873 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -73.7 | 2 | 172.8 | -93.9 | -74.1 | 0 | 0 | 0 | 114.2 | ||
| 25 | N | 26.8 | Very low | 32.8 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 88% | 0.882 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -127.9 | 16.8 | -179.6 | -92.3 | -3.7 | 0 | 0 | 0 | 116.1 | L23 | L23-N25 PolarHBondContact O-N 3.35Š|
| 26 | A | 28.3 | Very low | 32.3 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 61% | 0.612 | 69% | 0.686 | S | S | * | * | trans | -112.2 | 118 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 27 | S | 27.2 | Very low | 31.9 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | trans | -47.2 | 157.9 | -179.8 | 28 | 0 | 0 | 0 | 0 | 117 | L29 | S27-L29 PolarHBondContact O-N 2.77Š| ||
| 28 | P | 39.5 | Very low | 31.7 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 81% | 0.812 | 70% | 0.704 | S | S | * | * | trans | -87.1 | 96.9 | -169.6 | 34.5 | -30.6 | 0 | 0 | 0 | 110.7 | ||||
| 29 | L | 31.4 | Very low | 31.4 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 88% | 0.88 | 70% | 0.702 | S | S | * | * | trans | -152.3 | 91.7 | 166.6 | -99.4 | 134.4 | 0 | 0 | 0 | 110.7 | S27 | S27-L29 PolarHBondContact O-N 2.77Š| ||
| 30 | S | 33.1 | Very low | 31.1 | Very low | 86 Ų | 86 | 137.1 Ų | 137.1 | 60% | 0.601 | 72% | 0.715 | S | S | * | * | trans | -174.7 | 80.6 | 134.5 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | R32 | S30-R32 PolarHBondContact O-N 3.3Š| ||
| 31 | N | 32.3 | Very low | 31 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 13.1 | 165.8 | -89 | -11.9 | 0 | 0 | 0 | 114.3 | ||
| 32 | R | 28.1 | Very low | 30.9 | Very low | 218 Ų | 218 | 135.8 Ų | 135.8 | 82% | 0.823 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -17.4 | -174 | -123.5 | 179.2 | -174.7 | 178.2 | 1.4 | 114.3 | S30 | S30-R32 PolarHBondContact O-N 3.3Š|
| 33 | T | 33.4 | Very low | 30.9 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -92.4 | -15.5 | -179.6 | 39.4 | 0 | 0 | 0 | 0 | 114 | ||
| 34 | Y | 34.6 | Very low | 31.4 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -84.6 | -15.8 | 179.8 | -78.9 | -79 | 0 | 0 | 0 | 115 | ||
| 35 | S | 29 | Very low | 32 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 51% | 0.51 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -77.6 | -28.3 | -176.9 | 74.1 | 0 | 0 | 0 | 0 | 113.9 | F37 N38 | S35-F37 VanDerWaalsContact C-N 3.33Å; S35-F37 PolarHBondContact O-N 2.9Å; S35-N38 PolarHBondContact O-N 3.35Å |
| 36 | F | 29.2 | Very low | 32.9 | Very low | 190 Ų | 190 | 130.1 Ų | 130.1 | 83% | 0.833 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -22.7 | -179.6 | -97.4 | -80.3 | 0 | 0 | 0 | 113.6 | N38 | F36-N38 VanDerWaalsContact C-N 3.32Š|
| 37 | F | 32.5 | Very low | 33.8 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -8.8 | 175.5 | -104.3 | -83.4 | 0 | 0 | 0 | 113.8 | S35 | S35-F37 VanDerWaalsContact C-N 3.33Å; S35-F37 PolarHBondContact O-N 2.9Å |
| 38 | N | 31.4 | Very low | 34.8 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 66% | 0.658 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -107.7 | 8.7 | -163.6 | -133.7 | 14.4 | 0 | 0 | 0 | 116.9 | S35 F36 | S35-N38 PolarHBondContact O-N 3.35Å; F36-N38 VanDerWaalsContact C-N 3.32Å |
| 39 | L | 30.1 | Very low | 35.4 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 69% | 0.686 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -126.2 | -15.2 | -179.7 | -93.6 | 155.4 | 0 | 0 | 0 | 116.6 | ||
| 40 | N | 28.1 | Very low | 36.5 | Very low | 142 Ų | 142 | 120.9 Ų | 120.9 | 76% | 0.759 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -89 | -10.4 | 178.9 | -83 | -1.6 | 0 | 0 | 0 | 115 | ||
| 41 | I | 33.4 | Very low | 37.6 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 56% | 0.564 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -85.6 | -20.6 | 176.6 | -62.1 | 173.6 | 0 | 0 | 0 | 111.4 | S43 | I41-S43 VanDerWaalsContact C-N 3.33Å; I41-S43 PolarHBondContact O-N 2.99Å |
| 42 | L | 31.2 | Very low | 38.7 | Very low | 135 Ų | 135 | 116.4 Ų | 116.4 | 71% | 0.707 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -5.2 | -177.5 | -91.1 | 155 | 0 | 0 | 0 | 114.5 | ||
| 43 | S | 30.5 | Very low | 40.3 | Very low | 94 Ų | 94 | 110.5 Ų | 110.5 | 66% | 0.657 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 0.4 | 177.9 | 68.9 | 0 | 0 | 0 | 0 | 114.3 | I41 N45 | I41-S43 VanDerWaalsContact C-N 3.33Å; I41-S43 PolarHBondContact O-N 2.99Å; S43-N45 PolarHBondContact O-N 3.43Å |
| 44 | F | 39.1 | Very low | 41.6 | Very low | 85 Ų | 85 | 110 Ų | 110 | 37% | 0.373 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -65.4 | 103.9 | 165.9 | -81.5 | -74.1 | 0 | 0 | 0 | 108.3 | N46 L49 L212 | F44-N46 PolarHBondContact O-N 2.9Å; F44-L49 HydrophobicContact CB-CB 4.4Å; F44-L49 HydrophobicContact CB-CD1 4.43Å; F44-L212 HydrophobicContact CE1-CD1 3.58Å; F44-L212 HydrophobicContact CZ-CD1 3.41Å; F44-L212 VanDerWaalsContact CZ-CD1 3.41Å; F44-L212 HydrophobicContact CZ-CD2 4.21Å; F44-L212 HydrophobicContact CZ-CG 4.41Å |
| 45 | N | 42.5 | Very low | 43.1 | Very low | 132 Ų | 132 | 104.5 Ų | 104.5 | 71% | 0.706 | 56% | 0.563 | S | S | * | * | trans | -33.7 | 116.3 | 168.3 | -99 | -20.4 | 0 | 0 | 0 | 108.9 | S43 S47 S48 | S43-N45 PolarHBondContact O-N 3.43Å; N45-S47 PolarHBondContact O-N 3.46Å; N45-S48 PolarHBondContact O-N 3.33Å; N45-S48 PolarHBondContact O-OG 3.47Å | ||
| 46 | N | 45.3 | Very low | 44.9 | Very low | 124 Ų | 124 | 102.8 Ų | 102.8 | 66% | 0.663 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -44.1 | -28.4 | -165.3 | -76.3 | -32.6 | 0 | 0 | 0 | 114.6 | F44 I50 | F44-N46 PolarHBondContact O-N 2.9Å; N46-I50 HydrophobicContact CB-CD1 4.34Å; N46-I50 VanDerWaalsContact O-CB 3.3Å; N46-I50 WeakPolarHBondContact O-CB 3.31Å; N46-I50 VanDerWaalsContact O-CD1 3.24Å; N46-I50 WeakPolarHBondContact O-CD1 3.42Å; N46-I50 WeakPolarHBondContact O-CG1 3.49Å; N46-I50 PolarHBondContact O-N 3.36Å |
| 47 | S | 47.3 | Very low | 46.8 | Very low | 80 Ų | 80 | 97.6 Ų | 97.6 | 56% | 0.559 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.9 | -45.7 | 175.7 | 56.7 | 0 | 0 | 0 | 0 | 114 | N45 I50 L51 | N45-S47 PolarHBondContact O-N 3.46Å; S47-I50 PolarHBondContact O-N 2.93Å; S47-L51 WeakPolarHBondContact O-CB 3.45Å; S47-L51 WeakPolarHBondContact O-CD1 3.37Å; S47-L51 PolarHBondContact O-N 2.86Å |
| 48 | S | 49.4 | Very low | 48.4 | Very low | 39 Ų | 39 | 93.6 Ų | 93.6 | 27% | 0.273 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.1 | -38.6 | -175.4 | 69.2 | 0 | 0 | 0 | 0 | 111.7 | N45 L51 C52 | N45-S48 PolarHBondContact O-N 3.33Å; N45-S48 PolarHBondContact O-OG 3.47Å; S48-L51 PolarHBondContact O-N 3.28Å; S48-C52 WeakPolarHBondContact O-CB 3.35Å; S48-C52 PolarHBondContact O-N 3.27Å |
| 49 | L | 50.8 | Low | 50.2 | Low | 70 Ų | 70 | 91.1 Ų | 91.1 | 37% | 0.366 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 177.8 | -165.9 | 143.8 | 0 | 0 | 0 | 110.8 | F44 C52 L53 | F44-L49 HydrophobicContact CB-CB 4.4Å; F44-L49 HydrophobicContact CB-CD1 4.43Å; L49-C52 PolarHBondContact O-N 3.42Å; L49-L53 HydrophobicContact CD2-CD1 3.57Å; L49-L53 HydrophobicContact CD2-CG 4.17Å; L49-L53 WeakPolarHBondContact O-CB 3.48Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 2.96Å |
| 50 | I | 55.3 | Low | 52.2 | Low | 91 Ų | 91 | 89.3 Ų | 89.3 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 172.9 | -69 | 165.8 | 0 | 0 | 0 | 110.8 | N46 S47 C52 L53 L54 | N46-I50 HydrophobicContact CB-CD1 4.34Å; N46-I50 VanDerWaalsContact O-CB 3.3Å; N46-I50 WeakPolarHBondContact O-CB 3.31Å; N46-I50 VanDerWaalsContact O-CD1 3.24Å; N46-I50 WeakPolarHBondContact O-CD1 3.42Å; N46-I50 WeakPolarHBondContact O-CG1 3.49Å; N46-I50 PolarHBondContact O-N 3.36Å; S47-I50 PolarHBondContact O-N 2.93Å; I50-C52 VanDerWaalsContact C-N 3.35Å; I50-C52 PolarHBondContact O-N 3.46Å; I50-L53 PolarHBondContact O-N 3.25Å; I50-L54 HydrophobicContact CG2-CD1 3.79Å; I50-L54 HydrophobicContact CG2-CG 4.31Å; I50-L54 WeakPolarHBondContact O-CB 3.25Å; I50-L54 VanDerWaalsContact O-CG 3.26Å; I50-L54 WeakPolarHBondContact O-CG 3.49Å; I50-L54 PolarHBondContact O-N 3.06Å |
| 51 | L | 56 | Low | 53.6 | Low | 115 Ų | 115 | 86.6 Ų | 86.6 | 60% | 0.602 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.6 | -40.9 | 175.7 | -91.5 | 151 | 0 | 0 | 0 | 112.3 | S47 S48 L54 S55 | S47-L51 WeakPolarHBondContact O-CB 3.45Å; S47-L51 WeakPolarHBondContact O-CD1 3.37Å; S47-L51 PolarHBondContact O-N 2.86Å; S48-L51 PolarHBondContact O-N 3.28Å; L51-L54 PolarHBondContact O-N 3.49Å; L51-S55 WeakPolarHBondContact O-CB 3.49Å; L51-S55 PolarHBondContact O-N 3.33Å; L51-S55 PolarHBondContact O-OG 2.93Å |
| 52 | C | 56 | Low | 55.2 | Low | 38 Ų | 38 | 85 Ų | 85 | 26% | 0.257 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 176.6 | -170 | 0 | 0 | 0 | 0 | 112 | S48 L49 I50 S55 T56 | S48-C52 WeakPolarHBondContact O-CB 3.35Å; S48-C52 PolarHBondContact O-N 3.27Å; L49-C52 PolarHBondContact O-N 3.42Å; I50-C52 VanDerWaalsContact C-N 3.35Å; I50-C52 PolarHBondContact O-N 3.46Å; C52-S55 PolarHBondContact O-N 3.01Å; C52-S55 PolarHBondContact O-OG 3.32Å; C52-T56 WeakPolarHBondContact O-CB 3.26Å; C52-T56 WeakPolarHBondContact O-CG2 3.43Å; C52-T56 PolarHBondContact O-N 3.46Å; C52-T56 PolarHBondContact O-OG1 3.12Å |
| 53 | L | 61.8 | Low | 57 | Low | 94 Ų | 94 | 83 Ų | 83 | 49% | 0.492 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 173.9 | -73.8 | 175.4 | 0 | 0 | 0 | 111.6 | L49 I50 T56 I57 | L49-L53 HydrophobicContact CD2-CD1 3.57Å; L49-L53 HydrophobicContact CD2-CG 4.17Å; L49-L53 WeakPolarHBondContact O-CB 3.48Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 2.96Å; I50-L53 PolarHBondContact O-N 3.25Å; L53-T56 WeakPolarHBondContact CA-OG1 3.44Å; L53-T56 PolarHBondContact O-N 2.76Å; L53-T56 PolarHBondContact O-OG1 2.85Å; L53-I57 WeakPolarHBondContact O-CB 3.48Å; L53-I57 WeakPolarHBondContact O-CD1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.38Å; L53-I57 PolarHBondContact O-N 3.42Å |
| 54 | L | 61.3 | Low | 58.4 | Low | 91 Ų | 91 | 80.8 Ų | 80.8 | 48% | 0.476 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 176.9 | -74.5 | 170.7 | 0 | 0 | 0 | 112.1 | I50 L51 I57 L58 | I50-L54 HydrophobicContact CG2-CD1 3.79Å; I50-L54 HydrophobicContact CG2-CG 4.31Å; I50-L54 WeakPolarHBondContact O-CB 3.25Å; I50-L54 VanDerWaalsContact O-CG 3.26Å; I50-L54 WeakPolarHBondContact O-CG 3.49Å; I50-L54 PolarHBondContact O-N 3.06Å; L51-L54 PolarHBondContact O-N 3.49Å; L54-I57 PolarHBondContact O-N 3.46Å; L54-L58 WeakPolarHBondContact O-CB 3.36Å; L54-L58 PolarHBondContact O-N 2.93Å |
| 55 | S | 64.3 | Low | 59.8 | Low | 66 Ų | 66 | 82.7 Ų | 82.7 | 46% | 0.462 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.6 | -40 | 178.4 | 75.9 | 0 | 0 | 0 | 0 | 111.8 | L51 C52 L58 L59 | L51-S55 WeakPolarHBondContact O-CB 3.49Å; L51-S55 PolarHBondContact O-N 3.33Å; L51-S55 PolarHBondContact O-OG 2.93Å; C52-S55 PolarHBondContact O-N 3.01Å; C52-S55 PolarHBondContact O-OG 3.32Å; S55-L58 PolarHBondContact O-N 3.26Å; S55-L59 WeakPolarHBondContact O-CB 3.35Å; S55-L59 PolarHBondContact O-N 3.33Å |
| 56 | T | 66.9 | Low | 60.5 | Low | 36 Ų | 36 | 81 Ų | 81 | 22% | 0.221 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 174.8 | 47.3 | 0 | 0 | 0 | 0 | 111.9 | C52 L53 L58 L59 I60 | C52-T56 WeakPolarHBondContact O-CB 3.26Å; C52-T56 WeakPolarHBondContact O-CG2 3.43Å; C52-T56 PolarHBondContact O-N 3.46Å; C52-T56 PolarHBondContact O-OG1 3.12Å; L53-T56 WeakPolarHBondContact CA-OG1 3.44Å; L53-T56 PolarHBondContact O-N 2.76Å; L53-T56 PolarHBondContact O-OG1 2.85Å; T56-L58 VanDerWaalsContact C-N 3.35Å; T56-L58 PolarHBondContact O-N 2.9Å; T56-L59 PolarHBondContact O-N 3.23Å; T56-I60 WeakPolarHBondContact O-CB 3.14Å; T56-I60 VanDerWaalsContact O-CG1 3.24Å; T56-I60 WeakPolarHBondContact O-CG1 3.45Å; T56-I60 PolarHBondContact O-N 3.1Å |
| 57 | I | 69 | Low | 61.1 | Low | 82 Ų | 82 | 81.8 Ų | 81.8 | 42% | 0.421 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 173.8 | -68.9 | 164.5 | 0 | 0 | 0 | 111 | L53 L54 I60 R61 | L53-I57 WeakPolarHBondContact O-CB 3.48Å; L53-I57 WeakPolarHBondContact O-CD1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.38Å; L53-I57 PolarHBondContact O-N 3.42Å; L54-I57 PolarHBondContact O-N 3.46Å; I57-I60 PolarHBondContact O-N 3.5Å; I57-R61 WeakPolarHBondContact O-CG 3.4Å; I57-R61 PolarHBondContact O-N 3.42Å |
| 58 | L | 66.2 | Low | 61.4 | Low | 88 Ų | 88 | 82 Ų | 82 | 46% | 0.461 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 175.8 | -92.3 | 162.5 | 0 | 0 | 0 | 112 | L54 S55 T56 R61 I62 | L54-L58 WeakPolarHBondContact O-CB 3.36Å; L54-L58 PolarHBondContact O-N 2.93Å; S55-L58 PolarHBondContact O-N 3.26Å; T56-L58 VanDerWaalsContact C-N 3.35Å; T56-L58 PolarHBondContact O-N 2.9Å; L58-R61 WeakPolarHBondContact O-CB 3.45Å; L58-R61 PolarHBondContact O-N 3.41Å; L58-I62 WeakPolarHBondContact O-CG1 3.22Å; L58-I62 PolarHBondContact O-N 3.38Å |
| 59 | L | 69.9 | Low | 61.3 | Low | 70 Ų | 70 | 82.8 Ų | 82.8 | 37% | 0.366 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 177.6 | -169.6 | 79.3 | 0 | 0 | 0 | 111.2 | S55 T56 R61 I62 I63 F203 | S55-L59 WeakPolarHBondContact O-CB 3.35Å; S55-L59 PolarHBondContact O-N 3.33Å; T56-L59 PolarHBondContact O-N 3.23Å; L59-R61 VanDerWaalsContact C-N 3.26Å; L59-R61 PolarHBondContact O-N 3.2Å; L59-I62 PolarHBondContact O-N 3.41Å; L59-I63 HydrophobicContact CD2-CD1 4.26Å; L59-I63 HydrophobicContact CG-CD1 3.95Å; L59-I63 WeakPolarHBondContact O-CG1 3.43Å; L59-I63 PolarHBondContact O-N 3.37Å; L59-F203 HydrophobicContact CD2-CE1 4.02Å; L59-F203 HydrophobicContact CD2-CZ 4.48Å |
| 60 | I | 72.1 | Confident | 61 | Low | 94 Ų | 94 | 84.9 Ų | 84.9 | 48% | 0.482 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.5 | -41.2 | 175.7 | -68.7 | 164.9 | 0 | 0 | 0 | 110.3 | T56 I57 S64 | T56-I60 WeakPolarHBondContact O-CB 3.14Å; T56-I60 VanDerWaalsContact O-CG1 3.24Å; T56-I60 WeakPolarHBondContact O-CG1 3.45Å; T56-I60 PolarHBondContact O-N 3.1Å; I57-I60 PolarHBondContact O-N 3.5Å; I60-S64 VanDerWaalsContact O-CB 3.25Å; I60-S64 WeakPolarHBondContact O-CB 3.24Å; I60-S64 PolarHBondContact O-N 3.39Å; I60-S64 PolarHBondContact O-OG 3.33Å |
| 61 | R | 56.9 | Low | 60.4 | Low | 84 Ų | 84 | 82.8 Ų | 82.8 | 32% | 0.317 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 175.8 | -76.3 | 179.8 | 177 | -174 | 1 | 112.6 | I57 L58 L59 S64 F65 | I57-R61 WeakPolarHBondContact O-CG 3.4Å; I57-R61 PolarHBondContact O-N 3.42Å; L58-R61 WeakPolarHBondContact O-CB 3.45Å; L58-R61 PolarHBondContact O-N 3.41Å; L59-R61 VanDerWaalsContact C-N 3.26Å; L59-R61 PolarHBondContact O-N 3.2Å; R61-S64 PolarHBondContact O-N 3.22Å; R61-F65 VanDerWaalsContact O-CB 3.25Å; R61-F65 WeakPolarHBondContact O-CB 3.45Å; R61-F65 PolarHBondContact O-N 3.3Å |
| 62 | I | 68.3 | Low | 59.6 | Low | 77 Ų | 77 | 86.1 Ų | 86.1 | 40% | 0.395 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.2 | -47 | 178.6 | -67.5 | 165.1 | 0 | 0 | 0 | 110.3 | L58 L59 S64 F65 L66 | L58-I62 WeakPolarHBondContact O-CG1 3.22Å; L58-I62 PolarHBondContact O-N 3.38Å; L59-I62 PolarHBondContact O-N 3.41Å; I62-S64 VanDerWaalsContact C-N 3.34Å; I62-S64 PolarHBondContact O-N 3.05Å; I62-F65 PolarHBondContact O-N 3.36Å; I62-L66 HydrophobicContact CG2-CD1 3.9Å; I62-L66 HydrophobicContact CG2-CG 4.35Å; I62-L66 WeakPolarHBondContact O-CB 3.41Å; I62-L66 VanDerWaalsContact O-CG 3.32Å; I62-L66 WeakPolarHBondContact O-CG 3.49Å; I62-L66 PolarHBondContact O-N 2.83Å |
| 63 | I | 68.3 | Low | 58.9 | Low | 93 Ų | 93 | 88.9 Ų | 88.9 | 48% | 0.477 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 177.4 | -67 | 168.8 | 0 | 0 | 0 | 110.1 | L59 F65 L66 Y67 | L59-I63 HydrophobicContact CD2-CD1 4.26Å; L59-I63 HydrophobicContact CG-CD1 3.95Å; L59-I63 WeakPolarHBondContact O-CG1 3.43Å; L59-I63 PolarHBondContact O-N 3.37Å; I63-F65 PolarHBondContact O-N 3.1Å; I63-L66 PolarHBondContact O-N 3.32Å; I63-Y67 VanDerWaalsContact O-CB 3.3Å; I63-Y67 WeakPolarHBondContact O-CB 3.35Å; I63-Y67 PolarHBondContact O-N 3.1Å |
| 64 | S | 60.6 | Low | 57.9 | Low | 47 Ų | 47 | 92.8 Ų | 92.8 | 33% | 0.329 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 177.3 | -58.1 | 0 | 0 | 0 | 0 | 111 | I60 R61 I62 L66 Y67 F68 | I60-S64 VanDerWaalsContact O-CB 3.25Å; I60-S64 WeakPolarHBondContact O-CB 3.24Å; I60-S64 PolarHBondContact O-N 3.39Å; I60-S64 PolarHBondContact O-OG 3.33Å; R61-S64 PolarHBondContact O-N 3.22Å; I62-S64 VanDerWaalsContact C-N 3.34Å; I62-S64 PolarHBondContact O-N 3.05Å; S64-L66 PolarHBondContact O-N 3.21Å; S64-Y67 PolarHBondContact O-N 2.97Å; S64-F68 WeakPolarHBondContact O-CB 3.31Å; S64-F68 WeakPolarHBondContact O-CD2 3.36Å; S64-F68 WeakPolarHBondContact O-CG 3.49Å; S64-F68 PolarHBondContact O-N 3.24Å |
| 65 | F | 66.7 | Low | 57 | Low | 125 Ų | 125 | 93.3 Ų | 93.3 | 55% | 0.548 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 178.2 | 179.1 | -95.6 | 0 | 0 | 0 | 112.5 | R61 I62 I63 F68 S69 | R61-F65 VanDerWaalsContact O-CB 3.25Å; R61-F65 WeakPolarHBondContact O-CB 3.45Å; R61-F65 PolarHBondContact O-N 3.3Å; I62-F65 PolarHBondContact O-N 3.36Å; I63-F65 PolarHBondContact O-N 3.1Å; F65-F68 PolarHBondContact O-N 2.88Å; F65-S69 VanDerWaalsContact O-CB 3.29Å; F65-S69 WeakPolarHBondContact O-CB 3.45Å; F65-S69 PolarHBondContact O-N 2.88Å; F65-S69 PolarHBondContact O-OG 3.48Å |
| 66 | L | 57.3 | Low | 55.9 | Low | 97 Ų | 97 | 95.7 Ų | 95.7 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 177.1 | -72.9 | 173.1 | 0 | 0 | 0 | 111.3 | I62 I63 S64 S69 Q70 | I62-L66 HydrophobicContact CG2-CD1 3.9Å; I62-L66 HydrophobicContact CG2-CG 4.35Å; I62-L66 WeakPolarHBondContact O-CB 3.41Å; I62-L66 VanDerWaalsContact O-CG 3.32Å; I62-L66 WeakPolarHBondContact O-CG 3.49Å; I62-L66 PolarHBondContact O-N 2.83Å; I63-L66 PolarHBondContact O-N 3.32Å; S64-L66 PolarHBondContact O-N 3.21Å; L66-S69 PolarHBondContact O-N 3.46Å; L66-Q70 WeakPolarHBondContact O-CB 3.46Å; L66-Q70 PolarHBondContact O-N 3.4Å |
| 67 | Y | 58.8 | Low | 54.9 | Low | 140 Ų | 140 | 98.6 Ų | 98.6 | 55% | 0.549 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 176.1 | -173.2 | -97.6 | 0 | 0 | 0 | 111.3 | I63 S64 Q70 L71 | I63-Y67 VanDerWaalsContact O-CB 3.3Å; I63-Y67 WeakPolarHBondContact O-CB 3.35Å; I63-Y67 PolarHBondContact O-N 3.1Å; S64-Y67 PolarHBondContact O-N 2.97Å; Y67-Q70 PolarHBondContact O-N 2.9Å; Y67-L71 HydrophobicContact CD1-CD1 4.28Å; Y67-L71 HydrophobicContact CE1-CD1 3.69Å; Y67-L71 HydrophobicContact CE2-CD1 4.33Å; Y67-L71 PolarHBondContact O-N 3.36Å |
| 68 | F | 52.7 | Low | 53.7 | Low | 84 Ų | 84 | 103.3 Ų | 103.3 | 37% | 0.368 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67 | -37.1 | 177.2 | -73.9 | -53.6 | 0 | 0 | 0 | 113.2 | S64 F65 Q70 L71 K72 W83 | S64-F68 WeakPolarHBondContact O-CB 3.31Å; S64-F68 WeakPolarHBondContact O-CD2 3.36Å; S64-F68 WeakPolarHBondContact O-CG 3.49Å; S64-F68 PolarHBondContact O-N 3.24Å; F65-F68 PolarHBondContact O-N 2.88Å; F68-Q70 VanDerWaalsContact C-N 3.3Å; F68-Q70 PolarHBondContact O-N 2.9Å; F68-L71 PolarHBondContact O-N 3.24Å; F68-K72 WeakPolarHBondContact O-CB 3.36Å; F68-K72 PolarHBondContact O-N 3.19Å; F68-W83 HydrophobicContact CD1-CE3 4.23Å; F68-W83 AromaticContact CD1-CH2 3.89Å; F68-W83 HydrophobicContact CD1-CH2 3.89Å; F68-W83 AromaticContact CD1-CZ3 3.48Å; F68-W83 HydrophobicContact CD1-CZ3 3.48Å; F68-W83 VanDerWaalsContact CD1-CZ3 3.48Å; F68-W83 HydrophobicContact CE1-CE3 4.22Å; F68-W83 AromaticContact CE1-CH2 3.45Å; F68-W83 HydrophobicContact CE1-CH2 3.45Å; F68-W83 VanDerWaalsContact CE1-CH2 3.45Å; F68-W83 AromaticContact CE1-CZ3 3.13Å; F68-W83 HydrophobicContact CE1-CZ3 3.13Å; F68-W83 HydrophobicContact CZ-CZ3 4.08Å |
| 69 | S | 48.5 | Very low | 52.5 | Low | 56 Ų | 56 | 103.1 Ų | 103.1 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 175.9 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | F65 L66 S73 | F65-S69 VanDerWaalsContact O-CB 3.29Å; F65-S69 WeakPolarHBondContact O-CB 3.45Å; F65-S69 PolarHBondContact O-N 2.88Å; F65-S69 PolarHBondContact O-OG 3.48Å; L66-S69 PolarHBondContact O-N 3.46Å; S69-S73 PolarHBondContact O-N 2.98Å |
| 70 | Q | 44.8 | Very low | 51.1 | Low | 114 Ų | 114 | 106.5 Ų | 106.5 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.1 | -39.2 | 176.3 | -163.6 | 178 | -7.9 | 0 | 0 | 111.7 | L66 Y67 F68 S73 | L66-Q70 WeakPolarHBondContact O-CB 3.46Å; L66-Q70 PolarHBondContact O-N 3.4Å; Y67-Q70 PolarHBondContact O-N 2.9Å; F68-Q70 VanDerWaalsContact C-N 3.3Å; F68-Q70 PolarHBondContact O-N 2.9Å; Q70-S73 PolarHBondContact O-N 2.95Å; Q70-S73 PolarHBondContact O-OG 2.74Å |
| 71 | L | 42.2 | Very low | 49.7 | Very low | 47 Ų | 47 | 106.9 Ų | 106.9 | 25% | 0.246 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -64 | -42.8 | 176.2 | -122.6 | 84.7 | 0 | 0 | 0 | 112.1 | Y67 F68 S73 K74 W83 | Y67-L71 HydrophobicContact CD1-CD1 4.28Å; Y67-L71 HydrophobicContact CE1-CD1 3.69Å; Y67-L71 HydrophobicContact CE2-CD1 4.33Å; Y67-L71 PolarHBondContact O-N 3.36Å; F68-L71 PolarHBondContact O-N 3.24Å; L71-S73 PolarHBondContact O-N 3.3Å; L71-K74 PolarHBondContact O-N 2.93Å; L71-W83 HydrophobicContact CD2-CH2 4.2Å; L71-W83 HydrophobicContact CD2-CZ2 3.78Å |
| 72 | K | 39 | Very low | 48.8 | Very low | 186 Ų | 186 | 110.8 Ų | 110.8 | 81% | 0.809 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.6 | -31.6 | 178.5 | -169.3 | 176.5 | -178.8 | -178 | 0 | 112.3 | F68 K74 | F68-K72 WeakPolarHBondContact O-CB 3.36Å; F68-K72 PolarHBondContact O-N 3.19Å; K72-K74 PolarHBondContact O-N 3.38Å |
| 73 | S | 41.5 | Very low | 47.3 | Very low | 95 Ų | 95 | 111 Ų | 111 | 66% | 0.664 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -13.4 | 176.4 | 75.9 | 0 | 0 | 0 | 0 | 114 | S69 Q70 L71 | S69-S73 PolarHBondContact O-N 2.98Å; Q70-S73 PolarHBondContact O-N 2.95Å; Q70-S73 PolarHBondContact O-OG 2.74Å; L71-S73 PolarHBondContact O-N 3.3Å |
| 74 | K | 40.5 | Very low | 46.1 | Very low | 177 Ų | 177 | 109.3 Ų | 109.3 | 77% | 0.77 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | -0.9 | -165.5 | -131 | 178.8 | -175.9 | -175.7 | 0 | 115.7 | L71 K72 | L71-K74 PolarHBondContact O-N 2.93Å; K72-K74 PolarHBondContact O-N 3.38Å |
| 75 | H | 41.4 | Very low | 45.1 | Very low | 101 Ų | 101 | 113.2 Ų | 113.2 | 47% | 0.468 | 57% | 0.566 | S | S | . | * | trans | -119.3 | 135.5 | -168.7 | -99.7 | -93.1 | 0 | 0 | 0 | 116 | E79 | H75-E79 IonicContact CE1-OE1 3.49Å; H75-E79 PolarHBondContact CE1-OE1 2.92Å; H75-E79 IonicContact CE1-OE2 3.49Å; H75-E79 PolarHBondContact CE1-OE2 2.83Å; H75-E79 IonicContact CG-OE2 3.73Å; H75-E79 IonicContact ND1-OE1 3.7Å; H75-E79 IonicContact ND1-OE2 3.2Å; H75-E79 PolarHBondContact ND1-OE2 3.2Å | ||
| 76 | T | 41.2 | Very low | 43.8 | Very low | 116 Ų | 116 | 109.6 Ų | 109.6 | 71% | 0.712 | 56% | 0.555 | S | S | * | * | trans | -76.8 | 158.8 | 176.3 | 40.2 | 0 | 0 | 0 | 0 | 112.5 | E78 | T76-E78 VanDerWaalsContact C-N 3.27Å; T76-E78 PolarHBondContact O-N 3.31Å | ||
| 77 | S | 46.5 | Very low | 43 | Very low | 97 Ų | 97 | 107.8 Ų | 107.8 | 68% | 0.678 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -52.3 | -15.2 | -160.6 | 50 | 0 | 0 | 0 | 0 | 119.5 | ||
| 78 | E | 43.2 | Very low | 42.1 | Very low | 182 Ų | 182 | 108.3 Ų | 108.3 | 85% | 0.85 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -83 | -14.7 | -173.2 | -72.3 | -172 | 157.4 | 0 | 0 | 114.7 | T76 | T76-E78 VanDerWaalsContact C-N 3.27Å; T76-E78 PolarHBondContact O-N 3.31Å |
| 79 | E | 42.3 | Very low | 41.4 | Very low | 84 Ų | 84 | 108.8 Ų | 108.8 | 39% | 0.393 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -95.8 | -4.9 | 179.9 | -71.7 | -173.8 | -178.4 | 0 | 0 | 115 | H75 S81 Y82 W83 | H75-E79 IonicContact CE1-OE1 3.49Å; H75-E79 PolarHBondContact CE1-OE1 2.92Å; H75-E79 IonicContact CE1-OE2 3.49Å; H75-E79 PolarHBondContact CE1-OE2 2.83Å; H75-E79 IonicContact CG-OE2 3.73Å; H75-E79 IonicContact ND1-OE1 3.7Å; H75-E79 IonicContact ND1-OE2 3.2Å; H75-E79 PolarHBondContact ND1-OE2 3.2Å; E79-S81 PolarHBondContact O-N 2.89Å; E79-S81 VanDerWaalsContact O-N 3.12Å; E79-Y82 PolarHBondContact O-N 3.45Å; E79-W83 PolarHBondContact OE2-NE1 3.02Å |
| 80 | E | 40.5 | Very low | 40.7 | Very low | 141 Ų | 141 | 109.6 Ų | 109.6 | 66% | 0.659 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.5 | -29.8 | -172.4 | -69.8 | -166.5 | 150.5 | 0 | 0 | 114.1 | W83 A84 | E80-W83 PolarHBondContact O-N 2.97Å; E80-A84 PolarHBondContact O-N 3.22Å |
| 81 | S | 41.6 | Very low | 40.3 | Very low | 102 Ų | 102 | 110.6 Ų | 110.6 | 71% | 0.713 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.6 | -37.7 | -177.4 | 66.2 | 0 | 0 | 0 | 0 | 112.9 | E79 | E79-S81 PolarHBondContact O-N 2.89Å; E79-S81 VanDerWaalsContact O-N 3.12Å |
| 82 | Y | 38.4 | Very low | 40 | Very low | 165 Ų | 165 | 112.5 Ų | 112.5 | 65% | 0.647 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.2 | -36.1 | 176.7 | -166.3 | -95.5 | 0 | 0 | 0 | 111.4 | E79 T86 | E79-Y82 PolarHBondContact O-N 3.45Å; Y82-T86 HydrophobicContact CE1-CG2 4.46Å; Y82-T86 PolarHBondContact O-N 3.32Å; Y82-T86 PolarHBondContact O-OG1 3.32Å |
| 83 | W | 36.8 | Very low | 39.7 | Very low | 81 Ų | 81 | 106.6 Ų | 106.6 | 31% | 0.307 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -76.9 | -30.9 | -177.6 | -65.7 | 118.1 | 0 | 0 | 0 | 113.9 | F68 L71 E79 E80 H85 T86 S87 | F68-W83 HydrophobicContact CD1-CE3 4.23Å; F68-W83 AromaticContact CD1-CH2 3.89Å; F68-W83 HydrophobicContact CD1-CH2 3.89Å; F68-W83 AromaticContact CD1-CZ3 3.48Å; F68-W83 HydrophobicContact CD1-CZ3 3.48Å; F68-W83 VanDerWaalsContact CD1-CZ3 3.48Å; F68-W83 HydrophobicContact CE1-CE3 4.22Å; F68-W83 AromaticContact CE1-CH2 3.45Å; F68-W83 HydrophobicContact CE1-CH2 3.45Å; F68-W83 VanDerWaalsContact CE1-CH2 3.45Å; F68-W83 AromaticContact CE1-CZ3 3.13Å; F68-W83 HydrophobicContact CE1-CZ3 3.13Å; F68-W83 HydrophobicContact CZ-CZ3 4.08Å; L71-W83 HydrophobicContact CD2-CH2 4.2Å; L71-W83 HydrophobicContact CD2-CZ2 3.78Å; E79-W83 PolarHBondContact OE2-NE1 3.02Å; E80-W83 PolarHBondContact O-N 2.97Å; W83-H85 PolarHBondContact O-N 2.94Å; W83-T86 WeakPolarHBondContact CA-OG1 3.33Å; W83-T86 PolarHBondContact O-N 3.33Å; W83-T86 PolarHBondContact O-OG1 3.5Å; W83-S87 WeakPolarHBondContact O-CB 3.4Å; W83-S87 PolarHBondContact O-N 2.94Å |
| 84 | A | 44.2 | Very low | 39.5 | Very low | 58 Ų | 58 | 105.6 Ų | 105.6 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.6 | -38 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E80 S87 K88 | E80-A84 PolarHBondContact O-N 3.22Å; A84-S87 PolarHBondContact O-OG 2.94Å; A84-K88 PolarHBondContact O-N 3.27Å |
| 85 | H | 38.3 | Very low | 39.1 | Very low | 130 Ų | 130 | 106.6 Ų | 106.6 | 60% | 0.602 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.9 | -46.3 | 179.7 | -166.1 | -92.7 | 0 | 0 | 0 | 112.3 | W83 K88 I89 | W83-H85 PolarHBondContact O-N 2.94Å; H85-K88 PolarHBondContact O-N 3.39Å; H85-I89 WeakPolarHBondContact O-CG1 3.48Å; H85-I89 PolarHBondContact O-N 2.98Å |
| 86 | T | 39.2 | Very low | 38.6 | Very low | 49 Ų | 49 | 107.6 Ų | 107.6 | 30% | 0.301 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.9 | -37 | 179 | 40.5 | 0 | 0 | 0 | 0 | 112.8 | Y82 W83 K88 I89 L90 | Y82-T86 HydrophobicContact CE1-CG2 4.46Å; Y82-T86 PolarHBondContact O-N 3.32Å; Y82-T86 PolarHBondContact O-OG1 3.32Å; W83-T86 WeakPolarHBondContact CA-OG1 3.33Å; W83-T86 PolarHBondContact O-N 3.33Å; W83-T86 PolarHBondContact O-OG1 3.5Å; T86-K88 VanDerWaalsContact C-N 3.34Å; T86-K88 PolarHBondContact O-N 3.33Å; T86-I89 PolarHBondContact O-N 2.82Å; T86-L90 PolarHBondContact O-N 2.89Å |
| 87 | S | 41.6 | Very low | 38.2 | Very low | 58 Ų | 58 | 107 Ų | 107 | 41% | 0.406 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.7 | -34.1 | 175.8 | 92.2 | 0 | 0 | 0 | 0 | 112.9 | W83 A84 L90 K91 | W83-S87 WeakPolarHBondContact O-CB 3.4Å; W83-S87 PolarHBondContact O-N 2.94Å; A84-S87 PolarHBondContact O-OG 2.94Å; S87-L90 PolarHBondContact O-N 3.28Å; S87-K91 WeakPolarHBondContact O-CB 3.5Å; S87-K91 WeakPolarHBondContact O-CG 3.44Å; S87-K91 PolarHBondContact O-N 2.66Å |
| 88 | K | 38.7 | Very low | 37.6 | Very low | 152 Ų | 152 | 106.1 Ų | 106.1 | 66% | 0.661 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63 | -46.3 | 173.4 | -92.2 | -176.1 | 177.6 | 178.6 | 0 | 111 | A84 H85 T86 L90 K91 V92 | A84-K88 PolarHBondContact O-N 3.27Å; H85-K88 PolarHBondContact O-N 3.39Å; T86-K88 VanDerWaalsContact C-N 3.34Å; T86-K88 PolarHBondContact O-N 3.33Å; K88-L90 VanDerWaalsContact C-N 3.32Å; K88-L90 PolarHBondContact O-N 3.35Å; K88-K91 PolarHBondContact O-N 3.5Å; K88-V92 WeakPolarHBondContact O-CG2 3.45Å; K88-V92 PolarHBondContact O-N 2.9Å |
| 89 | I | 38.5 | Very low | 37.2 | Very low | 93 Ų | 93 | 101 Ų | 101 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 177.1 | -65 | 169.1 | 0 | 0 | 0 | 110.2 | H85 T86 K91 V92 V93 | H85-I89 WeakPolarHBondContact O-CG1 3.48Å; H85-I89 PolarHBondContact O-N 2.98Å; T86-I89 PolarHBondContact O-N 2.82Å; I89-K91 PolarHBondContact O-N 2.99Å; I89-V92 PolarHBondContact O-N 3.42Å; I89-V93 VanDerWaalsContact O-CG2 3.28Å; I89-V93 WeakPolarHBondContact O-CG2 3.43Å; I89-V93 PolarHBondContact O-N 3.35Å |
| 90 | L | 35 | Very low | 36.7 | Very low | 73 Ų | 73 | 101.4 Ų | 101.4 | 38% | 0.382 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 180 | -166.2 | 68.6 | 0 | 0 | 0 | 112.6 | T86 S87 K88 V93 T94 | T86-L90 PolarHBondContact O-N 2.89Å; S87-L90 PolarHBondContact O-N 3.28Å; K88-L90 VanDerWaalsContact C-N 3.32Å; K88-L90 PolarHBondContact O-N 3.35Å; L90-V93 PolarHBondContact O-N 2.93Å; L90-T94 WeakPolarHBondContact O-CB 3.36Å; L90-T94 WeakPolarHBondContact O-CG2 3.33Å; L90-T94 PolarHBondContact O-N 2.91Å; L90-T94 PolarHBondContact O-OG1 3.25Å |
| 91 | K | 36.7 | Very low | 36.4 | Very low | 135 Ų | 135 | 100.8 Ų | 100.8 | 59% | 0.587 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.9 | -43.8 | 174.4 | -81.3 | -176 | 178.1 | -178.7 | 0 | 112.5 | S87 K88 I89 V93 T94 Y95 | S87-K91 WeakPolarHBondContact O-CB 3.5Å; S87-K91 WeakPolarHBondContact O-CG 3.44Å; S87-K91 PolarHBondContact O-N 2.66Å; K88-K91 PolarHBondContact O-N 3.5Å; I89-K91 PolarHBondContact O-N 2.99Å; K91-V93 VanDerWaalsContact C-N 3.3Å; K91-V93 PolarHBondContact O-N 3Å; K91-T94 VanDerWaalsContact CA-OG1 3.28Å; K91-T94 WeakPolarHBondContact CA-OG1 3.21Å; K91-T94 PolarHBondContact O-N 3.47Å; K91-T94 PolarHBondContact O-OG1 3.36Å; K91-T94 VanDerWaalsContact O-OG1 3.06Å; K91-Y95 PolarHBondContact O-N 3.44Å |
| 92 | V | 34.2 | Very low | 36 | Very low | 87 Ų | 87 | 101.2 Ų | 101.2 | 53% | 0.527 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | K88 I89 N96 | K88-V92 WeakPolarHBondContact O-CG2 3.45Å; K88-V92 PolarHBondContact O-N 2.9Å; I89-V92 PolarHBondContact O-N 3.42Å; V92-N96 WeakPolarHBondContact O-CB 3.3Å; V92-N96 PolarHBondContact O-N 3.5Å |
| 93 | V | 34.2 | Very low | 36 | Very low | 63 Ų | 63 | 99.2 Ų | 99.2 | 38% | 0.382 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.5 | -33.1 | 178.3 | 174.3 | 0 | 0 | 0 | 0 | 112.5 | I89 L90 K91 | I89-V93 VanDerWaalsContact O-CG2 3.28Å; I89-V93 WeakPolarHBondContact O-CG2 3.43Å; I89-V93 PolarHBondContact O-N 3.35Å; L90-V93 PolarHBondContact O-N 2.93Å; K91-V93 VanDerWaalsContact C-N 3.3Å; K91-V93 PolarHBondContact O-N 3Å |
| 94 | T | 35.6 | Very low | 35.8 | Very low | 74 Ų | 74 | 102.5 Ų | 102.5 | 45% | 0.454 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -78.2 | -37.3 | 179.8 | 38.9 | 0 | 0 | 0 | 0 | 113.2 | L90 K91 | L90-T94 WeakPolarHBondContact O-CB 3.36Å; L90-T94 WeakPolarHBondContact O-CG2 3.33Å; L90-T94 PolarHBondContact O-N 2.91Å; L90-T94 PolarHBondContact O-OG1 3.25Å; K91-T94 VanDerWaalsContact CA-OG1 3.28Å; K91-T94 WeakPolarHBondContact CA-OG1 3.21Å; K91-T94 PolarHBondContact O-N 3.47Å; K91-T94 PolarHBondContact O-OG1 3.36Å; K91-T94 VanDerWaalsContact O-OG1 3.06Å |
| 95 | Y | 33.4 | Very low | 35.4 | Very low | 197 Ų | 197 | 109.8 Ų | 109.8 | 77% | 0.773 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -73.4 | -28.1 | 177.5 | -91.1 | -82.7 | 0 | 0 | 0 | 113.5 | K91 M97 | K91-Y95 PolarHBondContact O-N 3.44Å; Y95-M97 VanDerWaalsContact C-N 3.34Å; Y95-M97 PolarHBondContact O-N 3.32Å |
| 96 | N | 31.1 | Very low | 35.5 | Very low | 123 Ų | 123 | 112.7 Ų | 112.7 | 66% | 0.658 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 6.9 | -176.2 | -74.9 | -9.4 | 0 | 0 | 0 | 115.3 | V92 P98 | V92-N96 WeakPolarHBondContact O-CB 3.3Å; V92-N96 PolarHBondContact O-N 3.5Å; N96-P98 WeakPolarHBondContact O-CD 3.42Å |
| 97 | M | 32.8 | Very low | 35.4 | Very low | 104 Ų | 104 | 115.1 Ų | 115.1 | 51% | 0.512 | 57% | 0.571 | S | S | . | * | trans | -112.4 | 87.5 | 175.5 | -90.5 | -158.7 | 141.5 | 0 | 0 | 113.3 | Y95 C99 | Y95-M97 VanDerWaalsContact C-N 3.34Å; Y95-M97 PolarHBondContact O-N 3.32Å; M97-C99 PolarHBondContact O-N 3.39Å; M97-C99 VanDerWaalsContact O-N 3.09Å | ||
| 98 | P | 32.7 | Very low | 35.2 | Very low | 77 Ų | 77 | 123 Ų | 123 | 50% | 0.5 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.9 | -2.7 | 177.4 | 25.1 | -32.2 | 0 | 0 | 0 | 114.9 | N96 V100 I101 L102 | N96-P98 WeakPolarHBondContact O-CD 3.42Å; P98-V100 VanDerWaalsContact C-N 3.33Å; P98-V100 PolarHBondContact O-N 2.83Å; P98-I101 PolarHBondContact O-N 2.96Å; P98-L102 PolarHBondContact O-N 3.01Å |
| 99 | C | 36 | Very low | 35.5 | Very low | 75 Ų | 75 | 124.4 Ų | 124.4 | 51% | 0.507 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.1 | -31.1 | -174.6 | -57.8 | 0 | 0 | 0 | 0 | 114 | M97 I103 | M97-C99 PolarHBondContact O-N 3.39Å; M97-C99 VanDerWaalsContact O-N 3.09Å; C99-I103 WeakPolarHBondContact O-CG1 3.07Å |
| 100 | V | 31.3 | Very low | 35.9 | Very low | 92 Ų | 92 | 126 Ų | 126 | 56% | 0.558 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74.9 | -34.2 | -179.2 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | P98 | P98-V100 VanDerWaalsContact C-N 3.33Å; P98-V100 PolarHBondContact O-N 2.83Å |
| 101 | I | 34.7 | Very low | 36.5 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 66% | 0.656 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -76.3 | -33.5 | 179.6 | -59.9 | 175.8 | 0 | 0 | 0 | 110.8 | P98 I103 F104 R105 | P98-I101 PolarHBondContact O-N 2.96Å; I101-I103 PolarHBondContact O-N 2.84Å; I101-F104 PolarHBondContact O-N 3.35Å; I101-R105 PolarHBondContact O-N 3.47Å |
| 102 | L | 32.6 | Very low | 37.2 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 59% | 0.586 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.4 | -33.6 | -179.8 | -80.9 | 166 | 0 | 0 | 0 | 113.6 | P98 F104 R105 K106 | P98-L102 PolarHBondContact O-N 3.01Å; L102-F104 VanDerWaalsContact C-N 3.3Å; L102-F104 PolarHBondContact O-N 2.88Å; L102-R105 PolarHBondContact O-N 3.3Å; L102-K106 PolarHBondContact O-N 2.89Å |
| 103 | I | 38.6 | Very low | 37.9 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 63% | 0.631 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.2 | -38.7 | 177.5 | -67.1 | 169.3 | 0 | 0 | 0 | 110.8 | C99 I101 | C99-I103 WeakPolarHBondContact O-CG1 3.07Å; I101-I103 PolarHBondContact O-N 2.84Å |
| 104 | F | 33.4 | Very low | 38.4 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 65% | 0.654 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71 | -31.9 | 176.5 | -85.6 | -79.1 | 0 | 0 | 0 | 113.3 | I101 L102 | I101-F104 PolarHBondContact O-N 3.35Å; L102-F104 VanDerWaalsContact C-N 3.3Å; L102-F104 PolarHBondContact O-N 2.88Å |
| 105 | R | 35.2 | Very low | 39.1 | Very low | 211 Ų | 211 | 137.1 Ų | 137.1 | 80% | 0.796 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -79.2 | -31 | -175.2 | -151.2 | 173.1 | -179.9 | 153.7 | -0.8 | 113.3 | I101 L102 | I101-R105 PolarHBondContact O-N 3.47Å; L102-R105 PolarHBondContact O-N 3.3Å |
| 106 | K | 39.7 | Very low | 40 | Very low | 192 Ų | 192 | 130.8 Ų | 130.8 | 84% | 0.835 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.7 | -22.4 | -176.1 | -163.1 | 172 | -179.6 | -179.6 | 0 | 114.1 | L102 | L102-K106 PolarHBondContact O-N 2.89Å |
| 107 | H | 37.2 | Very low | 40.6 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 46% | 0.458 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.8 | 4.1 | -172.3 | -111.8 | -63.9 | 0 | 0 | 0 | 116.2 | H109 F113 | H107-H109 PolarHBondContact O-N 3.36Å; H107-H109 VanDerWaalsContact O-N 3.12Å; H107-F113 HydrophobicContact CB-CD2 4.21Å; H107-F113 HydrophobicContact CB-CE2 4.29Å; H107-F113 WeakPolarHBondContact O-CD2 2.87Å |
| 108 | R | 37.5 | Very low | 41.5 | Very low | 223 Ų | 223 | 125.8 Ų | 125.8 | 84% | 0.842 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -11.1 | -175.4 | -154.9 | 175.4 | -167.3 | 172.3 | 4.1 | 115 | ||
| 109 | H | 44.2 | Very low | 42.6 | Very low | 182 Ų | 182 | 127.8 Ų | 127.8 | 84% | 0.843 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -2.9 | -171.8 | -89.8 | -72.2 | 0 | 0 | 0 | 116.6 | H107 | H107-H109 PolarHBondContact O-N 3.36Å; H107-H109 VanDerWaalsContact O-N 3.12Å |
| 110 | H | 47.2 | Very low | 43.2 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 59% | 0.593 | 60% | 0.599 | S | S | * | * | trans | -97.4 | 123.8 | 177.4 | -109 | -87.1 | 0 | 0 | 0 | 111.1 | N112 F113 | H110-N112 PolarHBondContact O-N 3.02Å; H110-F113 WeakPolarHBondContact O-CB 3.27Å; H110-F113 PolarHBondContact O-N 3.49Å | ||
| 111 | K | 47.9 | Very low | 44.2 | Very low | 209 Ų | 209 | 128.5 Ų | 128.5 | 91% | 0.909 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | -20.4 | 174 | -110.2 | 175.3 | 174.1 | 179.1 | 0 | 113.6 | F113 | K111-F113 PolarHBondContact O-N 2.92Š|
| 112 | N | 51.2 | Low | 45.1 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 51% | 0.513 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.2 | -1.4 | 175.7 | -60.8 | 10.6 | 0 | 0 | 0 | 113.5 | H110 H114 E115 T116 | H110-N112 PolarHBondContact O-N 3.02Å; N112-H114 PolarHBondContact O-N 3.47Å; N112-H114 VanDerWaalsContact O-N 3.16Å; N112-E115 PolarHBondContact O-N 2.92Å; N112-T116 PolarHBondContact O-N 3.02Å; N112-T116 VanDerWaalsContact O-N 3.07Å; N112-T116 PolarHBondContact O-OG1 2.88Å |
| 113 | F | 50.4 | Low | 46.2 | Very low | 81 Ų | 81 | 130.8 Ų | 130.8 | 36% | 0.355 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -56.4 | -33 | -179.2 | -174.9 | -101.1 | 0 | 0 | 0 | 112.6 | H107 H110 K111 T116 L117 | H107-F113 HydrophobicContact CB-CD2 4.21Å; H107-F113 HydrophobicContact CB-CE2 4.29Å; H107-F113 WeakPolarHBondContact O-CD2 2.87Å; H110-F113 WeakPolarHBondContact O-CB 3.27Å; H110-F113 PolarHBondContact O-N 3.49Å; K111-F113 PolarHBondContact O-N 2.92Å; F113-T116 PolarHBondContact O-N 2.83Å; F113-L117 HydrophobicContact CE1-CB 4.38Å; F113-L117 HydrophobicContact CE1-CD1 3.72Å; F113-L117 HydrophobicContact CE1-CG 4.48Å; F113-L117 HydrophobicContact CE2-CD1 4.49Å; F113-L117 HydrophobicContact CZ-CD1 3.65Å; F113-L117 WeakPolarHBondContact O-CB 2.97Å; F113-L117 PolarHBondContact O-N 3.41Å |
| 114 | H | 44.4 | Very low | 47.1 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 63% | 0.63 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.6 | -39.9 | -178.8 | -149.2 | -71.9 | 0 | 0 | 0 | 112.4 | N112 T118 | N112-H114 PolarHBondContact O-N 3.47Å; N112-H114 VanDerWaalsContact O-N 3.16Å; H114-T118 WeakPolarHBondContact O-CB 3.29Å; H114-T118 WeakPolarHBondContact O-CG2 3.4Å; H114-T118 PolarHBondContact O-N 2.94Å; H114-T118 PolarHBondContact O-OG1 3.35Å |
| 115 | E | 49.2 | Very low | 48.2 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 67% | 0.668 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.7 | -44.3 | 174.6 | -69.1 | 180 | 169 | 0 | 0 | 110.7 | N112 L117 T118 F119 | N112-E115 PolarHBondContact O-N 2.92Å; E115-L117 VanDerWaalsContact C-N 3.34Å; E115-L117 PolarHBondContact O-N 3.33Å; E115-T118 WeakPolarHBondContact CA-OG1 3.36Å; E115-T118 PolarHBondContact O-N 3.42Å; E115-T118 PolarHBondContact O-OG1 3.49Å; E115-T118 VanDerWaalsContact O-OG1 3.07Å; E115-F119 VanDerWaalsContact O-CB 3.3Å; E115-F119 WeakPolarHBondContact O-CB 3.43Å; E115-F119 PolarHBondContact O-N 2.86Å |
| 116 | T | 52 | Low | 49 | Very low | 63 Ų | 63 | 122.8 Ų | 122.8 | 39% | 0.387 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.9 | -37.9 | 177.5 | -33.6 | 0 | 0 | 0 | 0 | 112.1 | N112 F113 N120 | N112-T116 PolarHBondContact O-N 3.02Å; N112-T116 VanDerWaalsContact O-N 3.07Å; N112-T116 PolarHBondContact O-OG1 2.88Å; F113-T116 PolarHBondContact O-N 2.83Å; T116-N120 VanDerWaalsContact O-CB 3.31Å; T116-N120 WeakPolarHBondContact O-CB 2.9Å; T116-N120 VanDerWaalsContact O-CG 3.22Å; T116-N120 PolarHBondContact O-N 2.88Å; T116-N120 PolarHBondContact O-ND2 3.44Å |
| 117 | L | 44.9 | Very low | 49.6 | Very low | 62 Ų | 62 | 116 Ų | 116 | 33% | 0.325 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.3 | -46 | 178.4 | -169.9 | 101 | 0 | 0 | 0 | 111.4 | F113 E115 F119 N120 L121 | F113-L117 HydrophobicContact CE1-CB 4.38Å; F113-L117 HydrophobicContact CE1-CD1 3.72Å; F113-L117 HydrophobicContact CE1-CG 4.48Å; F113-L117 HydrophobicContact CE2-CD1 4.49Å; F113-L117 HydrophobicContact CZ-CD1 3.65Å; F113-L117 WeakPolarHBondContact O-CB 2.97Å; F113-L117 PolarHBondContact O-N 3.41Å; E115-L117 VanDerWaalsContact C-N 3.34Å; E115-L117 PolarHBondContact O-N 3.33Å; L117-F119 VanDerWaalsContact C-N 3.31Å; L117-F119 PolarHBondContact O-N 3.45Å; L117-N120 PolarHBondContact O-N 2.89Å; L117-L121 HydrophobicContact CD2-CD1 3.95Å; L117-L121 HydrophobicContact CG-CD1 4.13Å; L117-L121 WeakPolarHBondContact O-CB 3.42Å; L117-L121 WeakPolarHBondContact O-CG 3Å; L117-L121 PolarHBondContact O-N 3.48Å |
| 118 | T | 51.7 | Low | 50.4 | Low | 60 Ų | 60 | 116.4 Ų | 116.4 | 37% | 0.368 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 177.8 | 48.7 | 0 | 0 | 0 | 0 | 111.8 | H114 E115 L121 R122 | H114-T118 WeakPolarHBondContact O-CB 3.29Å; H114-T118 WeakPolarHBondContact O-CG2 3.4Å; H114-T118 PolarHBondContact O-N 2.94Å; H114-T118 PolarHBondContact O-OG1 3.35Å; E115-T118 WeakPolarHBondContact CA-OG1 3.36Å; E115-T118 PolarHBondContact O-N 3.42Å; E115-T118 PolarHBondContact O-OG1 3.49Å; E115-T118 VanDerWaalsContact O-OG1 3.07Å; T118-L121 PolarHBondContact O-N 2.89Å; T118-R122 WeakPolarHBondContact O-CG 3.4Å; T118-R122 PolarHBondContact O-N 2.84Å; T118-R122 VanDerWaalsContact O-N 3.1Å |
| 119 | F | 55.3 | Low | 51.1 | Low | 120 Ų | 120 | 111.4 Ų | 111.4 | 53% | 0.526 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 174 | -159.1 | -90.5 | 0 | 0 | 0 | 112 | E115 L117 L121 R122 F123 | E115-F119 VanDerWaalsContact O-CB 3.3Å; E115-F119 WeakPolarHBondContact O-CB 3.43Å; E115-F119 PolarHBondContact O-N 2.86Å; L117-F119 VanDerWaalsContact C-N 3.31Å; L117-F119 PolarHBondContact O-N 3.45Å; F119-L121 PolarHBondContact O-N 3.46Å; F119-R122 PolarHBondContact O-N 3.46Å; F119-F123 PolarHBondContact O-N 3.09Å; F119-F123 VanDerWaalsContact O-N 3.16Å |
| 120 | N | 48.7 | Very low | 51.8 | Low | 84 Ų | 84 | 106.2 Ų | 106.2 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 176.7 | -77.7 | -22.5 | 0 | 0 | 0 | 112.1 | T116 L117 F123 W124 | T116-N120 VanDerWaalsContact O-CB 3.31Å; T116-N120 WeakPolarHBondContact O-CB 2.9Å; T116-N120 VanDerWaalsContact O-CG 3.22Å; T116-N120 PolarHBondContact O-N 2.88Å; T116-N120 PolarHBondContact O-ND2 3.44Å; L117-N120 PolarHBondContact O-N 2.89Å; N120-F123 WeakPolarHBondContact O-CB 3.46Å; N120-F123 PolarHBondContact O-N 2.88Å; N120-W124 PolarHBondContact O-N 3.17Å |
| 121 | L | 52.6 | Low | 52.2 | Low | 98 Ų | 98 | 104.9 Ų | 104.9 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 178 | -79.4 | 168 | 0 | 0 | 0 | 111.9 | L117 T118 F119 F123 W124 V125 | L117-L121 HydrophobicContact CD2-CD1 3.95Å; L117-L121 HydrophobicContact CG-CD1 4.13Å; L117-L121 WeakPolarHBondContact O-CB 3.42Å; L117-L121 WeakPolarHBondContact O-CG 3Å; L117-L121 PolarHBondContact O-N 3.48Å; T118-L121 PolarHBondContact O-N 2.89Å; F119-L121 PolarHBondContact O-N 3.46Å; L121-F123 VanDerWaalsContact C-N 3.31Å; L121-F123 PolarHBondContact O-N 3.27Å; L121-W124 PolarHBondContact O-N 3.47Å; L121-V125 VanDerWaalsContact O-CG2 3.29Å; L121-V125 WeakPolarHBondContact O-CG2 3.37Å; L121-V125 PolarHBondContact O-N 3Å |
| 122 | R | 53.9 | Low | 52.3 | Low | 192 Ų | 192 | 98.4 Ų | 98.4 | 73% | 0.725 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.3 | -43.2 | 175.5 | -75.4 | -179.8 | 177.1 | -176.3 | 0.5 | 111.7 | T118 F119 V125 I126 | T118-R122 WeakPolarHBondContact O-CG 3.4Å; T118-R122 PolarHBondContact O-N 2.84Å; T118-R122 VanDerWaalsContact O-N 3.1Å; F119-R122 PolarHBondContact O-N 3.46Å; R122-V125 PolarHBondContact O-N 2.91Å; R122-I126 WeakPolarHBondContact O-CG1 3.38Å; R122-I126 PolarHBondContact O-N 3.31Å; R122-I126 VanDerWaalsContact O-N 3.1Å |
| 123 | F | 55.8 | Low | 52.3 | Low | 95 Ų | 95 | 96.5 Ų | 96.5 | 42% | 0.417 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 176.6 | -175.1 | -104.5 | 0 | 0 | 0 | 112.1 | F119 N120 L121 V125 I126 I127 | F119-F123 PolarHBondContact O-N 3.09Å; F119-F123 VanDerWaalsContact O-N 3.16Å; N120-F123 WeakPolarHBondContact O-CB 3.46Å; N120-F123 PolarHBondContact O-N 2.88Å; L121-F123 VanDerWaalsContact C-N 3.31Å; L121-F123 PolarHBondContact O-N 3.27Å; F123-V125 PolarHBondContact O-N 3.47Å; F123-I126 PolarHBondContact O-N 2.88Å; F123-I127 HydrophobicContact CD1-CD1 3.63Å; F123-I127 HydrophobicContact CE1-CD1 3.22Å; F123-I127 HydrophobicContact CE1-CG1 4.35Å; F123-I127 HydrophobicContact CE2-CD1 4.43Å; F123-I127 HydrophobicContact CG-CD1 4.41Å; F123-I127 HydrophobicContact CZ-CD1 3.67Å; F123-I127 WeakPolarHBondContact O-CG1 3.35Å; F123-I127 PolarHBondContact O-N 3.36Å |
| 124 | W | 56.1 | Low | 52.3 | Low | 135 Ų | 135 | 96.6 Ų | 96.6 | 51% | 0.511 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 177.2 | -78.8 | 109.9 | 0 | 0 | 0 | 113.2 | N120 L121 I126 I127 I128 | N120-W124 PolarHBondContact O-N 3.17Å; L121-W124 PolarHBondContact O-N 3.47Å; W124-I126 VanDerWaalsContact C-N 3.35Å; W124-I126 PolarHBondContact O-N 2.91Å; W124-I127 PolarHBondContact O-N 3.35Å; W124-I128 WeakPolarHBondContact O-CB 3.39Å; W124-I128 VanDerWaalsContact O-CG1 3.25Å; W124-I128 WeakPolarHBondContact O-CG1 3.42Å; W124-I128 PolarHBondContact O-N 3.19Å |
| 125 | V | 56.9 | Low | 52.8 | Low | 76 Ų | 76 | 97.5 Ų | 97.5 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 177.1 | 170.3 | 0 | 0 | 0 | 0 | 111 | L121 R122 F123 I128 L129 | L121-V125 VanDerWaalsContact O-CG2 3.29Å; L121-V125 WeakPolarHBondContact O-CG2 3.37Å; L121-V125 PolarHBondContact O-N 3Å; R122-V125 PolarHBondContact O-N 2.91Å; F123-V125 PolarHBondContact O-N 3.47Å; V125-I128 PolarHBondContact O-N 3.29Å; V125-L129 HydrophobicContact CG1-CD1 3.71Å; V125-L129 HydrophobicContact CG1-CG 4.4Å; V125-L129 WeakPolarHBondContact O-CB 3.47Å; V125-L129 WeakPolarHBondContact O-CG 3.24Å; V125-L129 PolarHBondContact O-N 3Å |
| 126 | I | 52.5 | Low | 53.1 | Low | 104 Ų | 104 | 94.8 Ų | 94.8 | 53% | 0.533 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 175.7 | -65.8 | 165.5 | 0 | 0 | 0 | 110.8 | R122 F123 W124 L129 T130 | R122-I126 WeakPolarHBondContact O-CG1 3.38Å; R122-I126 PolarHBondContact O-N 3.31Å; R122-I126 VanDerWaalsContact O-N 3.1Å; F123-I126 PolarHBondContact O-N 2.88Å; W124-I126 VanDerWaalsContact C-N 3.35Å; W124-I126 PolarHBondContact O-N 2.91Å; I126-L129 PolarHBondContact O-N 3.3Å; I126-T130 HydrophobicContact CG2-CG2 4.38Å; I126-T130 WeakPolarHBondContact O-CB 3.07Å; I126-T130 VanDerWaalsContact O-CG2 3.26Å; I126-T130 WeakPolarHBondContact O-CG2 3.3Å; I126-T130 PolarHBondContact O-N 3.29Å; I126-T130 PolarHBondContact O-OG1 3.46Å |
| 127 | I | 52.6 | Low | 53.1 | Low | 51 Ų | 51 | 96.1 Ų | 96.1 | 26% | 0.262 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 175.4 | -69.2 | 172.1 | 0 | 0 | 0 | 110.6 | F123 W124 L129 T130 I131 | F123-I127 HydrophobicContact CD1-CD1 3.63Å; F123-I127 HydrophobicContact CE1-CD1 3.22Å; F123-I127 HydrophobicContact CE1-CG1 4.35Å; F123-I127 HydrophobicContact CE2-CD1 4.43Å; F123-I127 HydrophobicContact CG-CD1 4.41Å; F123-I127 HydrophobicContact CZ-CD1 3.67Å; F123-I127 WeakPolarHBondContact O-CG1 3.35Å; F123-I127 PolarHBondContact O-N 3.36Å; W124-I127 PolarHBondContact O-N 3.35Å; I127-L129 VanDerWaalsContact C-N 3.34Å; I127-L129 PolarHBondContact O-N 3.47Å; I127-T130 WeakPolarHBondContact CA-OG1 3.19Å; I127-T130 PolarHBondContact O-N 2.9Å; I127-T130 PolarHBondContact O-OG1 2.97Å; I127-I131 WeakPolarHBondContact O-CG1 3.45Å; I127-I131 PolarHBondContact O-N 3.49Å |
| 128 | I | 53.9 | Low | 53.5 | Low | 106 Ų | 106 | 96.5 Ų | 96.5 | 54% | 0.544 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | -177.7 | -68.1 | 165 | 0 | 0 | 0 | 111 | W124 V125 T130 I131 P132 | W124-I128 WeakPolarHBondContact O-CB 3.39Å; W124-I128 VanDerWaalsContact O-CG1 3.25Å; W124-I128 WeakPolarHBondContact O-CG1 3.42Å; W124-I128 PolarHBondContact O-N 3.19Å; V125-I128 PolarHBondContact O-N 3.29Å; I128-T130 VanDerWaalsContact C-N 3.34Å; I128-I131 PolarHBondContact O-N 2.96Å; I128-P132 WeakPolarHBondContact O-CD 3.25Å |
| 129 | L | 52.2 | Low | 53.6 | Low | 118 Ų | 118 | 97.6 Ų | 97.6 | 62% | 0.618 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69.4 | -30 | 177.6 | -77.3 | 167.6 | 0 | 0 | 0 | 113.1 | V125 I126 I127 P132 | V125-L129 HydrophobicContact CG1-CD1 3.71Å; V125-L129 HydrophobicContact CG1-CG 4.4Å; V125-L129 WeakPolarHBondContact O-CB 3.47Å; V125-L129 WeakPolarHBondContact O-CG 3.24Å; V125-L129 PolarHBondContact O-N 3Å; I126-L129 PolarHBondContact O-N 3.3Å; I127-L129 VanDerWaalsContact C-N 3.34Å; I127-L129 PolarHBondContact O-N 3.47Å; L129-P132 WeakPolarHBondContact O-CD 3.34Å; L129-P132 WeakPolarHBondContact O-CG 3.34Å |
| 130 | T | 57.9 | Low | 53.5 | Low | 74 Ų | 74 | 96.2 Ų | 96.2 | 45% | 0.454 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -76.2 | -27.5 | 178.7 | 47.7 | 0 | 0 | 0 | 0 | 112.6 | I126 I127 I128 A133 Y134 | I126-T130 HydrophobicContact CG2-CG2 4.38Å; I126-T130 WeakPolarHBondContact O-CB 3.07Å; I126-T130 VanDerWaalsContact O-CG2 3.26Å; I126-T130 WeakPolarHBondContact O-CG2 3.3Å; I126-T130 PolarHBondContact O-N 3.29Å; I126-T130 PolarHBondContact O-OG1 3.46Å; I127-T130 WeakPolarHBondContact CA-OG1 3.19Å; I127-T130 PolarHBondContact O-N 2.9Å; I127-T130 PolarHBondContact O-OG1 2.97Å; I128-T130 VanDerWaalsContact C-N 3.34Å; T130-A133 PolarHBondContact O-N 2.99Å; T130-Y134 VanDerWaalsContact O-CB 3.24Å; T130-Y134 WeakPolarHBondContact O-CB 3.44Å; T130-Y134 PolarHBondContact O-N 3.49Å |
| 131 | I | 57.3 | Low | 53.6 | Low | 99 Ų | 99 | 96.7 Ų | 96.7 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -53 | -52.8 | 178.4 | -68.7 | 165.8 | 0 | 0 | 0 | 113.7 | I127 I128 Y134 R135 | I127-I131 WeakPolarHBondContact O-CG1 3.45Å; I127-I131 PolarHBondContact O-N 3.49Å; I128-I131 PolarHBondContact O-N 2.96Å; I131-Y134 WeakPolarHBondContact O-CB 3.3Å; I131-Y134 PolarHBondContact O-N 3.33Å; I131-R135 PolarHBondContact O-N 2.9Å |
| 132 | P | 50 | Low | 53.9 | Low | 74 Ų | 74 | 97.8 Ų | 97.8 | 48% | 0.481 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | -180 | 22.7 | -31.5 | 0 | 0 | 0 | 112.6 | I128 L129 Y134 R135 V136 | I128-P132 WeakPolarHBondContact O-CD 3.25Å; L129-P132 WeakPolarHBondContact O-CD 3.34Å; L129-P132 WeakPolarHBondContact O-CG 3.34Å; P132-Y134 VanDerWaalsContact C-N 3.26Å; P132-Y134 PolarHBondContact O-N 2.9Å; P132-R135 WeakPolarHBondContact O-CB 3.36Å; P132-R135 PolarHBondContact O-N 2.84Å; P132-V136 WeakPolarHBondContact O-CG2 3.42Å; P132-V136 PolarHBondContact O-N 3.28Å; P132-V136 VanDerWaalsContact O-N 3.1Å |
| 133 | A | 51.2 | Low | 54 | Low | 56 Ų | 56 | 95.3 Ų | 95.3 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T130 V136 I137 | T130-A133 PolarHBondContact O-N 2.99Å; A133-V136 PolarHBondContact O-N 3.27Å; A133-I137 WeakPolarHBondContact O-CG1 3.32Å; A133-I137 PolarHBondContact O-N 3.34Å; A133-I137 VanDerWaalsContact O-N 3.1Å |
| 134 | Y | 49.6 | Very low | 54 | Low | 82 Ų | 82 | 95.3 Ų | 95.3 | 32% | 0.322 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 176.1 | -154.4 | -111.1 | 0 | 0 | 0 | 112 | T130 I131 P132 V136 I137 Y138 F203 | T130-Y134 VanDerWaalsContact O-CB 3.24Å; T130-Y134 WeakPolarHBondContact O-CB 3.44Å; T130-Y134 PolarHBondContact O-N 3.49Å; I131-Y134 WeakPolarHBondContact O-CB 3.3Å; I131-Y134 PolarHBondContact O-N 3.33Å; P132-Y134 VanDerWaalsContact C-N 3.26Å; P132-Y134 PolarHBondContact O-N 2.9Å; Y134-V136 VanDerWaalsContact C-N 3.31Å; Y134-V136 PolarHBondContact O-N 2.83Å; Y134-I137 PolarHBondContact O-N 3.33Å; Y134-Y138 AromaticContact CD1-CD2 3.64Å; Y134-Y138 HydrophobicContact CD1-CD2 3.64Å; Y134-Y138 AromaticContact CD1-CE2 3.54Å; Y134-Y138 HydrophobicContact CD1-CE2 3.54Å; Y134-Y138 HydrophobicContact CD2-CE2 4.3Å; Y134-Y138 AromaticContact CE1-CD2 3.51Å; Y134-Y138 HydrophobicContact CE1-CD2 3.51Å; Y134-Y138 HydrophobicContact CE1-CE1 4.34Å; Y134-Y138 AromaticContact CE1-CE2 2.88Å; Y134-Y138 HydrophobicContact CE1-CE2 2.88Å; Y134-Y138 HydrophobicContact CE1-CG 4.48Å; Y134-Y138 AromaticContact CE1-CZ 3.31Å; Y134-Y138 WeakPolarHBondContact CE1-OH 3.16Å; Y134-Y138 HydrophobicContact CE2-CD2 4.41Å; Y134-Y138 AromaticContact CE2-CE2 3.75Å; Y134-Y138 HydrophobicContact CE2-CE2 3.75Å; Y134-Y138 HydrophobicContact CG-CD2 4.18Å; Y134-Y138 HydrophobicContact CG-CE2 4.19Å; Y134-Y138 AromaticContact CZ-CD2 3.89Å; Y134-Y138 AromaticContact CZ-CE2 2.98Å; Y134-Y138 AromaticContact CZ-CZ 3.54Å; Y134-Y138 VanDerWaalsContact O-CD2 3.27Å; Y134-Y138 WeakPolarHBondContact O-CD2 3.24Å; Y134-Y138 PolarHBondContact O-N 3.41Å; Y134-Y138 WeakPolarHBondContact OH-CE2 3.5Å; Y134-Y138 VanDerWaalsContact OH-CZ 3.25Å; Y134-Y138 PolarHBondContact OH-OH 3.44Å; Y134-F203 HydrophobicContact CE1-CD2 4.1Å; Y134-F203 AromaticContact CE1-CE2 3.43Å; Y134-F203 HydrophobicContact CE1-CE2 3.43Å; Y134-F203 VanDerWaalsContact CE1-CE2 3.43Å; Y134-F203 AromaticContact CE1-CZ 3.9Å; Y134-F203 HydrophobicContact CE1-CZ 3.9Å; Y134-F203 HydrophobicContact CE2-CE2 4.17Å; Y134-F203 AromaticContact CZ-CD2 3.69Å; Y134-F203 AromaticContact CZ-CE2 3.2Å; Y134-F203 WeakPolarHBondContact OH-CD2 3.35Å; Y134-F203 WeakPolarHBondContact OH-CE2 3.25Å |
| 135 | R | 55.1 | Low | 53.8 | Low | 155 Ų | 155 | 94.3 Ų | 94.3 | 59% | 0.585 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -58.5 | -42.6 | 176.9 | -170.8 | 178.6 | -179.5 | 175 | 3.2 | 112 | I131 P132 Y138 D139 | I131-R135 PolarHBondContact O-N 2.9Å; P132-R135 WeakPolarHBondContact O-CB 3.36Å; P132-R135 PolarHBondContact O-N 2.84Å; R135-Y138 PolarHBondContact O-N 3.49Å; R135-D139 PolarHBondContact O-N 2.89Å |
| 136 | V | 54.1 | Low | 53.5 | Low | 87 Ų | 87 | 94.1 Ų | 94.1 | 53% | 0.527 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 176.8 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | P132 A133 Y134 Y138 D139 I140 | P132-V136 WeakPolarHBondContact O-CG2 3.42Å; P132-V136 PolarHBondContact O-N 3.28Å; P132-V136 VanDerWaalsContact O-N 3.1Å; A133-V136 PolarHBondContact O-N 3.27Å; Y134-V136 VanDerWaalsContact C-N 3.31Å; Y134-V136 PolarHBondContact O-N 2.83Å; V136-Y138 VanDerWaalsContact C-N 3.3Å; V136-Y138 PolarHBondContact O-N 2.87Å; V136-D139 PolarHBondContact O-N 2.84Å; V136-I140 HydrophobicContact CG1-CD1 3.85Å; V136-I140 WeakPolarHBondContact O-CD1 3.33Å; V136-I140 WeakPolarHBondContact O-CG1 3.21Å; V136-I140 PolarHBondContact O-N 3.36Å |
| 137 | I | 53.8 | Low | 53.5 | Low | 90 Ų | 90 | 93 Ų | 93 | 46% | 0.462 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 177.5 | -66.4 | 166.3 | 0 | 0 | 0 | 110.8 | A133 Y134 I140 I141 | A133-I137 WeakPolarHBondContact O-CG1 3.32Å; A133-I137 PolarHBondContact O-N 3.34Å; A133-I137 VanDerWaalsContact O-N 3.1Å; Y134-I137 PolarHBondContact O-N 3.33Å; I137-I140 PolarHBondContact O-N 2.8Å; I137-I141 HydrophobicContact CG2-CD1 3.72Å; I137-I141 HydrophobicContact CG2-CG1 4.38Å; I137-I141 VanDerWaalsContact O-CG1 3.3Å; I137-I141 WeakPolarHBondContact O-CG1 3.36Å; I137-I141 PolarHBondContact O-N 2.84Å |
| 138 | Y | 52.9 | Low | 53.3 | Low | 70 Ų | 70 | 95 Ų | 95 | 28% | 0.275 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.8 | -46.5 | 177.6 | -93.4 | -107.8 | 0 | 0 | 0 | 112.8 | Y134 R135 V136 I140 I141 F142 L199 | Y134-Y138 AromaticContact CD1-CD2 3.64Å; Y134-Y138 HydrophobicContact CD1-CD2 3.64Å; Y134-Y138 AromaticContact CD1-CE2 3.54Å; Y134-Y138 HydrophobicContact CD1-CE2 3.54Å; Y134-Y138 HydrophobicContact CD2-CE2 4.3Å; Y134-Y138 AromaticContact CE1-CD2 3.51Å; Y134-Y138 HydrophobicContact CE1-CD2 3.51Å; Y134-Y138 HydrophobicContact CE1-CE1 4.34Å; Y134-Y138 AromaticContact CE1-CE2 2.88Å; Y134-Y138 HydrophobicContact CE1-CE2 2.88Å; Y134-Y138 HydrophobicContact CE1-CG 4.48Å; Y134-Y138 AromaticContact CE1-CZ 3.31Å; Y134-Y138 WeakPolarHBondContact CE1-OH 3.16Å; Y134-Y138 HydrophobicContact CE2-CD2 4.41Å; Y134-Y138 AromaticContact CE2-CE2 3.75Å; Y134-Y138 HydrophobicContact CE2-CE2 3.75Å; Y134-Y138 HydrophobicContact CG-CD2 4.18Å; Y134-Y138 HydrophobicContact CG-CE2 4.19Å; Y134-Y138 AromaticContact CZ-CD2 3.89Å; Y134-Y138 AromaticContact CZ-CE2 2.98Å; Y134-Y138 AromaticContact CZ-CZ 3.54Å; Y134-Y138 VanDerWaalsContact O-CD2 3.27Å; Y134-Y138 WeakPolarHBondContact O-CD2 3.24Å; Y134-Y138 PolarHBondContact O-N 3.41Å; Y134-Y138 WeakPolarHBondContact OH-CE2 3.5Å; Y134-Y138 VanDerWaalsContact OH-CZ 3.25Å; Y134-Y138 PolarHBondContact OH-OH 3.44Å; R135-Y138 PolarHBondContact O-N 3.49Å; V136-Y138 VanDerWaalsContact C-N 3.3Å; V136-Y138 PolarHBondContact O-N 2.87Å; Y138-I140 PolarHBondContact O-N 2.91Å; Y138-I141 PolarHBondContact O-N 3.16Å; Y138-F142 WeakPolarHBondContact O-CB 3.37Å; Y138-F142 PolarHBondContact O-N 2.95Å; Y138-L199 HydrophobicContact CE1-CD2 4.05Å |
| 139 | D | 53.9 | Low | 53 | Low | 84 Ų | 84 | 91.5 Ų | 91.5 | 45% | 0.449 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.2 | -36.4 | 177.8 | -78 | -13.5 | 0 | 0 | 0 | 111 | R135 V136 K143 | R135-D139 PolarHBondContact O-N 2.89Å; V136-D139 PolarHBondContact O-N 2.84Å; D139-K143 WeakPolarHBondContact O-CB 3.5Å; D139-K143 WeakPolarHBondContact O-CG 3.37Å; D139-K143 PolarHBondContact O-N 3.44Å |
| 140 | I | 52 | Low | 52.9 | Low | 90 Ų | 90 | 91.1 Ų | 91.1 | 46% | 0.462 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67 | -51.2 | 175.6 | -67.4 | 165.9 | 0 | 0 | 0 | 111 | V136 I137 Y138 F142 K143 I144 | V136-I140 HydrophobicContact CG1-CD1 3.85Å; V136-I140 WeakPolarHBondContact O-CD1 3.33Å; V136-I140 WeakPolarHBondContact O-CG1 3.21Å; V136-I140 PolarHBondContact O-N 3.36Å; I137-I140 PolarHBondContact O-N 2.8Å; Y138-I140 PolarHBondContact O-N 2.91Å; I140-F142 VanDerWaalsContact C-N 3.29Å; I140-F142 PolarHBondContact O-N 2.94Å; I140-K143 PolarHBondContact O-N 3.48Å; I140-I144 HydrophobicContact CG2-CD1 3.83Å; I140-I144 WeakPolarHBondContact O-CG1 3.43Å; I140-I144 PolarHBondContact O-N 3.21Å |
| 141 | I | 52.4 | Low | 52.6 | Low | 94 Ų | 94 | 92.1 Ų | 92.1 | 48% | 0.482 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 179.2 | -68.5 | 169.5 | 0 | 0 | 0 | 110.4 | I137 Y138 I144 Y145 | I137-I141 HydrophobicContact CG2-CD1 3.72Å; I137-I141 HydrophobicContact CG2-CG1 4.38Å; I137-I141 VanDerWaalsContact O-CG1 3.3Å; I137-I141 WeakPolarHBondContact O-CG1 3.36Å; I137-I141 PolarHBondContact O-N 2.84Å; Y138-I141 PolarHBondContact O-N 3.16Å; I141-I144 PolarHBondContact O-N 3.32Å; I141-Y145 WeakPolarHBondContact O-CB 3.3Å; I141-Y145 PolarHBondContact O-N 3.38Å |
| 142 | F | 58.7 | Low | 52 | Low | 122 Ų | 122 | 90.8 Ų | 90.8 | 54% | 0.535 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 178.4 | -176.2 | -106.5 | 0 | 0 | 0 | 112.2 | Y138 I140 Y145 L146 | Y138-F142 WeakPolarHBondContact O-CB 3.37Å; Y138-F142 PolarHBondContact O-N 2.95Å; I140-F142 VanDerWaalsContact C-N 3.29Å; I140-F142 PolarHBondContact O-N 2.94Å; F142-Y145 PolarHBondContact O-N 2.93Å; F142-L146 HydrophobicContact CD1-CD1 3.9Å; F142-L146 HydrophobicContact CE1-CD1 3.41Å; F142-L146 VanDerWaalsContact CE1-CD1 3.41Å; F142-L146 HydrophobicContact CE1-CG 4.11Å; F142-L146 HydrophobicContact CZ-CD1 3.89Å; F142-L146 HydrophobicContact CZ-CG 4.18Å; F142-L146 PolarHBondContact O-N 2.89Å |
| 143 | K | 55.1 | Low | 51.5 | Low | 139 Ų | 139 | 92.8 Ų | 92.8 | 60% | 0.604 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.2 | -44.3 | 173.3 | -77.8 | 173.1 | -177.7 | 178.7 | 0 | 112 | D139 I140 Y145 L146 V147 | D139-K143 WeakPolarHBondContact O-CB 3.5Å; D139-K143 WeakPolarHBondContact O-CG 3.37Å; D139-K143 PolarHBondContact O-N 3.44Å; I140-K143 PolarHBondContact O-N 3.48Å; K143-Y145 VanDerWaalsContact C-N 3.32Å; K143-Y145 PolarHBondContact O-N 3.35Å; K143-L146 PolarHBondContact O-N 3.46Å; K143-V147 WeakPolarHBondContact O-CG2 3.45Å; K143-V147 PolarHBondContact O-N 2.66Å |
| 144 | I | 55.7 | Low | 51.1 | Low | 95 Ų | 95 | 94.6 Ų | 94.6 | 49% | 0.487 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 176.4 | -69.5 | 167.4 | 0 | 0 | 0 | 110.3 | I140 I141 V147 L148 | I140-I144 HydrophobicContact CG2-CD1 3.83Å; I140-I144 WeakPolarHBondContact O-CG1 3.43Å; I140-I144 PolarHBondContact O-N 3.21Å; I141-I144 PolarHBondContact O-N 3.32Å; I144-V147 PolarHBondContact O-N 3.47Å; I144-L148 HydrophobicContact CG2-CD1 3.69Å; I144-L148 WeakPolarHBondContact O-CB 3.26Å; I144-L148 PolarHBondContact O-N 2.84Å |
| 145 | Y | 51.3 | Low | 50.5 | Low | 115 Ų | 115 | 93.4 Ų | 93.4 | 45% | 0.451 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 177 | -177.5 | -94.3 | 0 | 0 | 0 | 112.3 | I141 F142 K143 V147 L148 S149 | I141-Y145 WeakPolarHBondContact O-CB 3.3Å; I141-Y145 PolarHBondContact O-N 3.38Å; F142-Y145 PolarHBondContact O-N 2.93Å; K143-Y145 VanDerWaalsContact C-N 3.32Å; K143-Y145 PolarHBondContact O-N 3.35Å; Y145-V147 PolarHBondContact O-N 3.33Å; Y145-L148 PolarHBondContact O-N 2.93Å; Y145-S149 WeakPolarHBondContact O-CB 3.4Å; Y145-S149 PolarHBondContact O-N 2.93Å; Y145-S149 PolarHBondContact O-OG 3.31Å |
| 146 | L | 51.6 | Low | 49.4 | Very low | 71 Ų | 71 | 91.7 Ų | 91.7 | 37% | 0.372 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 174.8 | -82.4 | 173.5 | 0 | 0 | 0 | 112.6 | F142 K143 S149 M150 | F142-L146 HydrophobicContact CD1-CD1 3.9Å; F142-L146 HydrophobicContact CE1-CD1 3.41Å; F142-L146 VanDerWaalsContact CE1-CD1 3.41Å; F142-L146 HydrophobicContact CE1-CG 4.11Å; F142-L146 HydrophobicContact CZ-CD1 3.89Å; F142-L146 HydrophobicContact CZ-CG 4.18Å; F142-L146 PolarHBondContact O-N 2.89Å; K143-L146 PolarHBondContact O-N 3.46Å; L146-S149 PolarHBondContact O-OG 3.46Å; L146-M150 WeakPolarHBondContact O-CE 3.39Å; L146-M150 WeakPolarHBondContact O-CG 3.26Å; L146-M150 PolarHBondContact O-N 2.87Å; L146-M150 VanDerWaalsContact O-N 3.12Å |
| 147 | V | 52.6 | Low | 48.5 | Very low | 81 Ų | 81 | 92.4 Ų | 92.4 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 176 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | K143 I144 Y145 S149 M150 I151 | K143-V147 WeakPolarHBondContact O-CG2 3.45Å; K143-V147 PolarHBondContact O-N 2.66Å; I144-V147 PolarHBondContact O-N 3.47Å; Y145-V147 PolarHBondContact O-N 3.33Å; V147-S149 PolarHBondContact O-N 2.97Å; V147-M150 PolarHBondContact O-N 2.75Å; V147-I151 HydrophobicContact CG1-CD1 3.8Å; V147-I151 VanDerWaalsContact O-CG1 3.3Å; V147-I151 WeakPolarHBondContact O-CG1 3.35Å; V147-I151 PolarHBondContact O-N 3.33Å |
| 148 | L | 48 | Very low | 47.4 | Very low | 93 Ų | 93 | 92.4 Ų | 92.4 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 177.3 | -83.1 | 157.7 | 0 | 0 | 0 | 112.5 | I144 Y145 M150 I151 T152 | I144-L148 HydrophobicContact CG2-CD1 3.69Å; I144-L148 WeakPolarHBondContact O-CB 3.26Å; I144-L148 PolarHBondContact O-N 2.84Å; Y145-L148 PolarHBondContact O-N 2.93Å; L148-M150 VanDerWaalsContact C-N 3.31Å; L148-M150 PolarHBondContact O-N 3.37Å; L148-I151 PolarHBondContact O-N 2.7Å; L148-T152 WeakPolarHBondContact O-CG2 3.38Å; L148-T152 PolarHBondContact O-N 3.22Å; L148-T152 PolarHBondContact O-OG1 3.27Å |
| 149 | S | 48.3 | Very low | 46.7 | Very low | 33 Ų | 33 | 99.7 Ų | 99.7 | 23% | 0.231 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -67.3 | -32.5 | 179.4 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | Y145 L146 V147 T152 R153 | Y145-S149 WeakPolarHBondContact O-CB 3.4Å; Y145-S149 PolarHBondContact O-N 2.93Å; Y145-S149 PolarHBondContact O-OG 3.31Å; L146-S149 PolarHBondContact O-OG 3.46Å; V147-S149 PolarHBondContact O-N 2.97Å; S149-T152 WeakPolarHBondContact CA-OG1 3.42Å; S149-T152 PolarHBondContact O-OG1 3.06Å; S149-R153 VanDerWaalsContact O-CB 3.3Å; S149-R153 WeakPolarHBondContact O-CB 3.3Å; S149-R153 PolarHBondContact O-N 2.72Å; S149-R153 VanDerWaalsContact O-N 3.11Å |
| 150 | M | 49.7 | Very low | 46 | Very low | 110 Ų | 110 | 100.5 Ų | 100.5 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68 | -44.8 | 170.1 | -74.4 | -169 | -100.8 | 0 | 0 | 111.8 | L146 V147 L148 R153 T154 | L146-M150 WeakPolarHBondContact O-CE 3.39Å; L146-M150 WeakPolarHBondContact O-CG 3.26Å; L146-M150 PolarHBondContact O-N 2.87Å; L146-M150 VanDerWaalsContact O-N 3.12Å; V147-M150 PolarHBondContact O-N 2.75Å; L148-M150 VanDerWaalsContact C-N 3.31Å; L148-M150 PolarHBondContact O-N 3.37Å; M150-R153 PolarHBondContact O-N 2.97Å; M150-T154 WeakPolarHBondContact O-CG2 3.36Å; M150-T154 PolarHBondContact O-N 3.39Å; M150-T154 PolarHBondContact O-OG1 3.31Å |
| 151 | I | 50.5 | Low | 45.2 | Very low | 95 Ų | 95 | 99.8 Ų | 99.8 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -48.9 | 178.7 | -67.3 | 165.2 | 0 | 0 | 0 | 110.8 | V147 L148 R153 T154 S155 | V147-I151 HydrophobicContact CG1-CD1 3.8Å; V147-I151 VanDerWaalsContact O-CG1 3.3Å; V147-I151 WeakPolarHBondContact O-CG1 3.35Å; V147-I151 PolarHBondContact O-N 3.33Å; L148-I151 PolarHBondContact O-N 2.7Å; I151-R153 VanDerWaalsContact C-N 3.31Å; I151-R153 PolarHBondContact O-N 3.12Å; I151-T154 WeakPolarHBondContact CA-OG1 3.41Å; I151-T154 PolarHBondContact O-N 2.88Å; I151-T154 VanDerWaalsContact O-N 3.15Å; I151-T154 PolarHBondContact O-OG1 3.01Å; I151-S155 PolarHBondContact O-N 3.2Å |
| 152 | T | 45.2 | Very low | 44.4 | Very low | 71 Ų | 71 | 105.1 Ų | 105.1 | 44% | 0.436 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | -179.9 | 50.8 | 0 | 0 | 0 | 0 | 111.3 | L148 S149 S155 L156 | L148-T152 WeakPolarHBondContact O-CG2 3.38Å; L148-T152 PolarHBondContact O-N 3.22Å; L148-T152 PolarHBondContact O-OG1 3.27Å; S149-T152 WeakPolarHBondContact CA-OG1 3.42Å; S149-T152 PolarHBondContact O-OG1 3.06Å; T152-S155 PolarHBondContact O-N 3.11Å; T152-S155 VanDerWaalsContact O-N 3.17Å; T152-S155 PolarHBondContact O-OG 2.92Å; T152-L156 WeakPolarHBondContact O-CB 3.47Å; T152-L156 PolarHBondContact O-N 3.4Å |
| 153 | R | 40 | Very low | 43.5 | Very low | 116 Ų | 116 | 106.9 Ų | 106.9 | 44% | 0.438 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 174.4 | -165.9 | 174 | -178.7 | 176.3 | -0.9 | 112.3 | S149 M150 I151 S155 L156 M157 | S149-R153 VanDerWaalsContact O-CB 3.3Å; S149-R153 WeakPolarHBondContact O-CB 3.3Å; S149-R153 PolarHBondContact O-N 2.72Å; S149-R153 VanDerWaalsContact O-N 3.11Å; M150-R153 PolarHBondContact O-N 2.97Å; I151-R153 VanDerWaalsContact C-N 3.31Å; I151-R153 PolarHBondContact O-N 3.12Å; R153-S155 VanDerWaalsContact C-N 3.3Å; R153-S155 PolarHBondContact O-N 2.77Å; R153-L156 PolarHBondContact O-N 3.46Å; R153-M157 WeakPolarHBondContact O-CB 3.27Å; R153-M157 WeakPolarHBondContact O-CG 3.43Å; R153-M157 PolarHBondContact O-N 2.78Å |
| 154 | T | 43.1 | Very low | 42.8 | Very low | 93 Ų | 93 | 109.6 Ų | 109.6 | 57% | 0.571 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.9 | -33.7 | 171.9 | 55 | 0 | 0 | 0 | 0 | 112.3 | M150 I151 S158 | M150-T154 WeakPolarHBondContact O-CG2 3.36Å; M150-T154 PolarHBondContact O-N 3.39Å; M150-T154 PolarHBondContact O-OG1 3.31Å; I151-T154 WeakPolarHBondContact CA-OG1 3.41Å; I151-T154 PolarHBondContact O-N 2.88Å; I151-T154 VanDerWaalsContact O-N 3.15Å; I151-T154 PolarHBondContact O-OG1 3.01Å; T154-S158 VanDerWaalsContact O-CB 3.27Å; T154-S158 WeakPolarHBondContact O-CB 3.29Å; T154-S158 PolarHBondContact O-N 2.85Å |
| 155 | S | 36.1 | Very low | 42.2 | Very low | 58 Ų | 58 | 111.4 Ų | 111.4 | 41% | 0.406 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -73.3 | -33.2 | 174.5 | 78.5 | 0 | 0 | 0 | 0 | 113.5 | I151 T152 R153 S158 R159 | I151-S155 PolarHBondContact O-N 3.2Å; T152-S155 PolarHBondContact O-N 3.11Å; T152-S155 VanDerWaalsContact O-N 3.17Å; T152-S155 PolarHBondContact O-OG 2.92Å; R153-S155 VanDerWaalsContact C-N 3.3Å; R153-S155 PolarHBondContact O-N 2.77Å; S155-S158 PolarHBondContact O-N 3.5Å; S155-S158 PolarHBondContact O-OG 2.9Å; S155-R159 PolarHBondContact O-N 2.73Å |
| 156 | L | 32.3 | Very low | 42 | Very low | 118 Ų | 118 | 109.6 Ų | 109.6 | 62% | 0.618 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -73.2 | -41.5 | 176 | -98.1 | 152 | 0 | 0 | 0 | 110.6 | T152 R153 S158 R159 V160 | T152-L156 WeakPolarHBondContact O-CB 3.47Å; T152-L156 PolarHBondContact O-N 3.4Å; R153-L156 PolarHBondContact O-N 3.46Å; L156-S158 VanDerWaalsContact C-N 3.33Å; L156-R159 PolarHBondContact O-N 3.17Å; L156-V160 PolarHBondContact O-N 3.25Å |
| 157 | M | 34.5 | Very low | 41.8 | Very low | 103 Ų | 103 | 113.1 Ų | 113.1 | 51% | 0.507 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.9 | -28.4 | 171.8 | -74.4 | -73.9 | 158.3 | 0 | 0 | 112.2 | R153 R159 V160 | R153-M157 WeakPolarHBondContact O-CB 3.27Å; R153-M157 WeakPolarHBondContact O-CG 3.43Å; R153-M157 PolarHBondContact O-N 2.78Å; M157-R159 PolarHBondContact O-N 3.3Å; M157-V160 CarbonylContact O-C 3.3Å; M157-V160 VanDerWaalsContact O-C 3.3Å; M157-V160 PolarHBondContact O-N 3.44Å; M157-V160 VanDerWaalsContact O-N 3.11Å |
| 158 | S | 31.2 | Very low | 41.5 | Very low | 89 Ų | 89 | 116.6 Ų | 116.6 | 62% | 0.622 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69 | -21.5 | 172.9 | 84 | 0 | 0 | 0 | 0 | 112.6 | T154 S155 L156 | T154-S158 VanDerWaalsContact O-CB 3.27Å; T154-S158 WeakPolarHBondContact O-CB 3.29Å; T154-S158 PolarHBondContact O-N 2.85Å; S155-S158 PolarHBondContact O-N 3.5Å; S155-S158 PolarHBondContact O-OG 2.9Å; L156-S158 VanDerWaalsContact C-N 3.33Å |
| 159 | R | 39.7 | Very low | 41.3 | Very low | 223 Ų | 223 | 115.1 Ų | 115.1 | 84% | 0.842 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -82.3 | -18.1 | 171.3 | -75.5 | -173 | 178 | -175 | -0.2 | 113.1 | S155 L156 M157 | S155-R159 PolarHBondContact O-N 2.73Å; L156-R159 PolarHBondContact O-N 3.17Å; M157-R159 PolarHBondContact O-N 3.3Å |
| 160 | V | 37.9 | Very low | 41.3 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 61% | 0.612 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -118 | 93.5 | 178.2 | -170.3 | 0 | 0 | 0 | 0 | 109.6 | L156 M157 | L156-V160 PolarHBondContact O-N 3.25Å; M157-V160 CarbonylContact O-C 3.3Å; M157-V160 VanDerWaalsContact O-C 3.3Å; M157-V160 PolarHBondContact O-N 3.44Å; M157-V160 VanDerWaalsContact O-N 3.11Å |
| 161 | S | 35.7 | Very low | 41.2 | Very low | 76 Ų | 76 | 120.6 Ų | 120.6 | 53% | 0.531 | 59% | 0.592 | S | S | . | * | trans | 100.1 | 108.2 | 173.3 | 84.3 | 0 | 0 | 0 | 0 | 115.6 | K163 | S161-K163 PolarHBondContact O-N 2.9Š| ||
| 162 | H | 36.4 | Very low | 41.3 | Very low | 205 Ų | 205 | 121.3 Ų | 121.3 | 95% | 0.949 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -62.6 | 26.6 | 177 | -110.1 | -81.4 | 0 | 0 | 0 | 115.7 | ||
| 163 | K | 38.5 | Very low | 41.4 | Very low | 159 Ų | 159 | 121.6 Ų | 121.6 | 69% | 0.691 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -118.9 | 119.3 | 176.2 | -84.3 | -179.2 | 176 | 177 | 0 | 109.6 | S161 Y165 | S161-K163 PolarHBondContact O-N 2.9Å; K163-Y165 HydrophobicContact CB-CD2 4.25Å; K163-Y165 HydrophobicContact CB-CE2 3.98Å; K163-Y165 WeakPolarHBondContact O-CD2 3.45Å; K163-Y165 PolarHBondContact O-N 3.39Å |
| 164 | K | 40.2 | Very low | 41.6 | Very low | 196 Ų | 196 | 123.7 Ų | 123.7 | 85% | 0.852 | 60% | 0.602 | S | S | * | * | trans | -48.9 | 69.8 | 176.3 | -151.3 | 176.1 | -171.5 | 179.4 | 0 | 111.5 | T166 | K164-T166 VanDerWaalsContact C-N 3.3Å; K164-T166 PolarHBondContact O-N 3.47Å | ||
| 165 | Y | 44.3 | Very low | 41.9 | Very low | 133 Ų | 133 | 127 Ų | 127 | 52% | 0.522 | 61% | 0.61 | S | S | . | * | trans | -78.5 | 87 | 173.9 | -79.7 | -75.5 | 0 | 0 | 0 | 107.4 | K163 N169 I173 | K163-Y165 HydrophobicContact CB-CD2 4.25Å; K163-Y165 HydrophobicContact CB-CE2 3.98Å; K163-Y165 WeakPolarHBondContact O-CD2 3.45Å; K163-Y165 PolarHBondContact O-N 3.39Å; Y165-N169 HydrophobicContact CD1-CB 3.66Å; Y165-N169 HydrophobicContact CE1-CB 4.35Å; Y165-I173 HydrophobicContact CD1-CD1 4.22Å; Y165-I173 HydrophobicContact CE1-CD1 3.94Å | ||
| 166 | T | 47.4 | Very low | 42.4 | Very low | 78 Ų | 78 | 130.2 Ų | 130.2 | 48% | 0.479 | 62% | 0.623 | S | S | . | * | trans | -58 | 146.8 | 166.8 | 51.5 | 0 | 0 | 0 | 0 | 109.6 | K164 K168 N169 | K164-T166 VanDerWaalsContact C-N 3.3Å; K164-T166 PolarHBondContact O-N 3.47Å; T166-K168 PolarHBondContact O-N 3.02Å; T166-N169 PolarHBondContact O-N 2.85Å | ||
| 167 | M | 46.8 | Very low | 43.2 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 71% | 0.714 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -38.5 | -38.7 | 178.4 | -167.3 | 77.6 | 171.7 | 0 | 0 | 113.9 | N169 Y170 M171 | M167-N169 PolarHBondContact O-N 2.75Å; M167-Y170 PolarHBondContact O-N 2.85Å; M167-M171 PolarHBondContact O-N 3.15Å; M167-M171 VanDerWaalsContact O-N 3.1Å |
| 168 | K | 45.5 | Very low | 43.7 | Very low | 153 Ų | 153 | 130.5 Ų | 130.5 | 67% | 0.665 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -57.3 | -42.3 | 176.6 | -168.3 | 177.2 | -178.6 | -179.7 | 0 | 113.8 | T166 Y170 M172 | T166-K168 PolarHBondContact O-N 3.02Å; K168-Y170 VanDerWaalsContact C-N 3.34Å; K168-M172 PolarHBondContact O-N 3.31Å; K168-M172 VanDerWaalsContact O-N 3.09Å |
| 169 | N | 44.3 | Very low | 44.4 | Very low | 63 Ų | 63 | 130.5 Ų | 130.5 | 34% | 0.337 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -71.4 | -33 | 179.3 | -67.6 | -4.8 | 0 | 0 | 0 | 111.3 | Y165 T166 M167 M172 I173 | Y165-N169 HydrophobicContact CD1-CB 3.66Å; Y165-N169 HydrophobicContact CE1-CB 4.35Å; T166-N169 PolarHBondContact O-N 2.85Å; M167-N169 PolarHBondContact O-N 2.75Å; N169-M172 PolarHBondContact O-N 3.45Å; N169-I173 VanDerWaalsContact O-CG1 3.29Å; N169-I173 WeakPolarHBondContact O-CG1 3.29Å; N169-I173 PolarHBondContact O-N 2.84Å |
| 170 | Y | 47.4 | Very low | 44.4 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 46% | 0.455 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.5 | -42.3 | 177.2 | -155.1 | -89.2 | 0 | 0 | 0 | 111.3 | M167 K168 M172 I173 Y174 | M167-Y170 PolarHBondContact O-N 2.85Å; K168-Y170 VanDerWaalsContact C-N 3.34Å; Y170-M172 VanDerWaalsContact C-N 3.32Å; Y170-M172 PolarHBondContact O-N 2.86Å; Y170-I173 PolarHBondContact O-N 3.43Å; Y170-Y174 WeakPolarHBondContact O-CB 3.49Å; Y170-Y174 PolarHBondContact O-N 2.89Å |
| 171 | M | 49.1 | Very low | 44.7 | Very low | 141 Ų | 141 | 122.8 Ų | 122.8 | 70% | 0.695 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61 | -39.8 | 172.1 | -101.9 | -173.1 | 166.7 | 0 | 0 | 112.2 | M167 Y174 H175 | M167-M171 PolarHBondContact O-N 3.15Å; M167-M171 VanDerWaalsContact O-N 3.1Å; M171-Y174 WeakPolarHBondContact O-CB 3.45Å; M171-Y174 PolarHBondContact O-N 3.32Å; M171-H175 WeakPolarHBondContact O-CB 3.28Å; M171-H175 PolarHBondContact O-N 3.17Å |
| 172 | M | 51.2 | Low | 44.8 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 54% | 0.542 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.7 | -42.3 | 174.3 | -99.5 | -173.9 | -179.4 | 0 | 0 | 112.7 | K168 N169 Y170 Y174 H175 N176 | K168-M172 PolarHBondContact O-N 3.31Å; K168-M172 VanDerWaalsContact O-N 3.09Å; N169-M172 PolarHBondContact O-N 3.45Å; Y170-M172 VanDerWaalsContact C-N 3.32Å; Y170-M172 PolarHBondContact O-N 2.86Å; M172-Y174 VanDerWaalsContact C-N 3.29Å; M172-Y174 PolarHBondContact O-N 3.31Å; M172-H175 PolarHBondContact O-N 2.84Å; M172-N176 VanDerWaalsContact O-CB 3.29Å; M172-N176 WeakPolarHBondContact O-CB 3.43Å; M172-N176 PolarHBondContact O-N 2.93Å |
| 173 | I | 48.8 | Very low | 44.8 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 40% | 0.4 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.7 | -42.7 | 174.1 | -66.7 | 163.5 | 0 | 0 | 0 | 109.4 | Y165 N169 Y170 H175 N176 S177 | Y165-I173 HydrophobicContact CD1-CD1 4.22Å; Y165-I173 HydrophobicContact CE1-CD1 3.94Å; N169-I173 VanDerWaalsContact O-CG1 3.29Å; N169-I173 WeakPolarHBondContact O-CG1 3.29Å; N169-I173 PolarHBondContact O-N 2.84Å; Y170-I173 PolarHBondContact O-N 3.43Å; I173-H175 VanDerWaalsContact C-N 3.29Å; I173-H175 PolarHBondContact O-N 3.26Å; I173-N176 PolarHBondContact O-N 2.94Å; I173-S177 WeakPolarHBondContact O-CA 3.42Å; I173-S177 WeakPolarHBondContact O-CB 2.97Å; I173-S177 PolarHBondContact O-N 3.44Å; I173-S177 PolarHBondContact O-OG 3.08Å |
| 174 | Y | 43.9 | Very low | 44.7 | Very low | 159 Ų | 159 | 125.3 Ų | 125.3 | 62% | 0.624 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.9 | -35.9 | 177.6 | -164.4 | -93.5 | 0 | 0 | 0 | 112.9 | Y170 M171 M172 | Y170-Y174 WeakPolarHBondContact O-CB 3.49Å; Y170-Y174 PolarHBondContact O-N 2.89Å; M171-Y174 WeakPolarHBondContact O-CB 3.45Å; M171-Y174 PolarHBondContact O-N 3.32Å; M172-Y174 VanDerWaalsContact C-N 3.29Å; M172-Y174 PolarHBondContact O-N 3.31Å |
| 175 | H | 48.3 | Very low | 44.3 | Very low | 163 Ų | 163 | 123.1 Ų | 123.1 | 76% | 0.755 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -82.1 | -33.3 | 179.6 | -158.6 | -62.4 | 0 | 0 | 0 | 113.3 | M171 M172 I173 | M171-H175 WeakPolarHBondContact O-CB 3.28Å; M171-H175 PolarHBondContact O-N 3.17Å; M172-H175 PolarHBondContact O-N 2.84Å; I173-H175 VanDerWaalsContact C-N 3.29Å; I173-H175 PolarHBondContact O-N 3.26Å |
| 176 | N | 47.5 | Very low | 43.7 | Very low | 125 Ų | 125 | 120.5 Ų | 120.5 | 67% | 0.668 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -91 | -30.4 | -177.4 | -76 | -6.3 | 0 | 0 | 0 | 113.2 | M172 I173 Q178 | M172-N176 VanDerWaalsContact O-CB 3.29Å; M172-N176 WeakPolarHBondContact O-CB 3.43Å; M172-N176 PolarHBondContact O-N 2.93Å; I173-N176 PolarHBondContact O-N 2.94Å; N176-Q178 PolarHBondContact O-N 3.26Å |
| 177 | S | 48.5 | Very low | 43.2 | Very low | 32 Ų | 32 | 121 Ų | 121 | 22% | 0.224 | 57% | 0.573 | C | S | . | * | S | Bend | trans | -76.4 | 112.4 | 170.7 | 76.7 | 0 | 0 | 0 | 0 | 105.9 | I173 I179 | I173-S177 WeakPolarHBondContact O-CA 3.42Å; I173-S177 WeakPolarHBondContact O-CB 2.97Å; I173-S177 PolarHBondContact O-N 3.44Å; I173-S177 PolarHBondContact O-OG 3.08Å; S177-I179 PolarHBondContact O-N 3.41Å; S177-I179 WeakPolarHBondContact OG-CD1 3.19Å; S177-I179 VanDerWaalsContact OG-CG1 3.31Å; S177-I179 WeakPolarHBondContact OG-CG1 3.47Å |
| 178 | Q | 45.7 | Very low | 42.5 | Very low | 195 Ų | 195 | 120.1 Ų | 120.1 | 91% | 0.911 | 56% | 0.562 | S | S | * | * | trans | -65.7 | 36.9 | 166.9 | -66.9 | 176.1 | -21.7 | 0 | 0 | 110.7 | N176 N180 | N176-Q178 PolarHBondContact O-N 3.26Å; Q178-N180 PolarHBondContact O-N 2.96Å | ||
| 179 | I | 44.9 | Very low | 41.9 | Very low | 90 Ų | 90 | 115.2 Ų | 115.2 | 46% | 0.462 | 55% | 0.547 | S | S | . | . | trans | -69.3 | 101.7 | 177.2 | -71.3 | 175.4 | 0 | 0 | 0 | 105.7 | S177 P181 Y184 | S177-I179 PolarHBondContact O-N 3.41Å; S177-I179 WeakPolarHBondContact OG-CD1 3.19Å; S177-I179 VanDerWaalsContact OG-CG1 3.31Å; S177-I179 WeakPolarHBondContact OG-CG1 3.47Å; I179-P181 VanDerWaalsContact O-CD 3.22Å; I179-P181 WeakPolarHBondContact O-CD 3.49Å; I179-Y184 HydrophobicContact CG2-CD2 4.04Å; I179-Y184 HydrophobicContact CG2-CE2 3.48Å; I179-Y184 VanDerWaalsContact CG2-CE2 3.48Å | ||
| 180 | N | 40.7 | Very low | 41.7 | Very low | 104 Ų | 104 | 117.5 Ų | 117.5 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | trans | -56.7 | 110.7 | 178.7 | -155.8 | -1.1 | 0 | 0 | 0 | 108.8 | Q178 Y182 K183 | Q178-N180 PolarHBondContact O-N 2.96Å; N180-Y182 PolarHBondContact O-N 2.99Å; N180-Y182 WeakPolarHBondContact OD1-CD2 3.25Å; N180-K183 PolarHBondContact O-N 3.33Å | ||
| 181 | P | 43.2 | Very low | 41.5 | Very low | 58 Ų | 58 | 118.2 Ų | 118.2 | 38% | 0.377 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -60.8 | -22.9 | -171.5 | 21.8 | -32.3 | 0 | 0 | 0 | 112.4 | I179 K183 Y184 Y185 | I179-P181 VanDerWaalsContact O-CD 3.22Å; I179-P181 WeakPolarHBondContact O-CD 3.49Å; P181-K183 PolarHBondContact O-N 3.43Å; P181-Y184 PolarHBondContact O-N 3.28Å; P181-Y185 PolarHBondContact O-N 3.04Å |
| 182 | Y | 37.6 | Very low | 41.4 | Very low | 169 Ų | 169 | 115.4 Ų | 115.4 | 66% | 0.663 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -60.2 | -24.4 | 176.6 | -64.8 | -71.1 | 0 | 0 | 0 | 114.3 | N180 Y184 Y185 P186 | N180-Y182 PolarHBondContact O-N 2.99Å; N180-Y182 WeakPolarHBondContact OD1-CD2 3.25Å; Y182-Y184 VanDerWaalsContact C-N 3.34Å; Y182-Y184 PolarHBondContact O-N 3.04Å; Y182-Y185 WeakPolarHBondContact O-CB 3.42Å; Y182-Y185 PolarHBondContact O-N 2.88Å; Y182-P186 VanDerWaalsContact O-CD 3.29Å; Y182-P186 WeakPolarHBondContact O-CD 3.47Å |
| 183 | K | 37.1 | Very low | 41.1 | Very low | 177 Ų | 177 | 114.7 Ų | 114.7 | 77% | 0.77 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -73.1 | -26.7 | -179.3 | -152.9 | 177.1 | -175.3 | -179.8 | 0 | 113 | N180 P181 | N180-K183 PolarHBondContact O-N 3.33Å; P181-K183 PolarHBondContact O-N 3.43Å |
| 184 | Y | 35.5 | Very low | 40.9 | Very low | 147 Ų | 147 | 117.6 Ų | 117.6 | 58% | 0.576 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -14.7 | 177.1 | -64.2 | -81.6 | 0 | 0 | 0 | 113.2 | I179 P181 Y182 P186 V187 Y188 | I179-Y184 HydrophobicContact CG2-CD2 4.04Å; I179-Y184 HydrophobicContact CG2-CE2 3.48Å; I179-Y184 VanDerWaalsContact CG2-CE2 3.48Å; P181-Y184 PolarHBondContact O-N 3.28Å; Y182-Y184 VanDerWaalsContact C-N 3.34Å; Y182-Y184 PolarHBondContact O-N 3.04Å; Y184-P186 VanDerWaalsContact C-CD 3.44Å; Y184-V187 PolarHBondContact O-N 3.45Å; Y184-Y188 PolarHBondContact O-N 3.42Å; Y184-Y188 VanDerWaalsContact O-N 3.16Å |
| 185 | Y | 33.2 | Very low | 41.3 | Very low | 149 Ų | 149 | 112.2 Ų | 112.2 | 58% | 0.584 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -52.4 | -41.5 | 176.9 | -137.7 | -93.4 | 0 | 0 | 0 | 114.5 | P181 Y182 V187 Y188 C189 | P181-Y185 PolarHBondContact O-N 3.04Å; Y182-Y185 WeakPolarHBondContact O-CB 3.42Å; Y182-Y185 PolarHBondContact O-N 2.88Å; Y185-V187 PolarHBondContact O-N 2.78Å; Y185-Y188 PolarHBondContact O-N 3.1Å; Y185-C189 VanDerWaalsContact O-CB 3.32Å; Y185-C189 WeakPolarHBondContact O-CB 3.3Å; Y185-C189 PolarHBondContact O-N 3.21Å |
| 186 | P | 32 | Very low | 41.7 | Very low | 79 Ų | 79 | 109.5 Ų | 109.5 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | -179.3 | 21.4 | -31.1 | 0 | 0 | 0 | 113.1 | Y182 Y184 C189 Q190 | Y182-P186 VanDerWaalsContact O-CD 3.29Å; Y182-P186 WeakPolarHBondContact O-CD 3.47Å; Y184-P186 VanDerWaalsContact C-CD 3.44Å; P186-C189 PolarHBondContact O-N 3.3Å; P186-Q190 VanDerWaalsContact O-CB 3.28Å; P186-Q190 WeakPolarHBondContact O-CB 3.44Å; P186-Q190 PolarHBondContact O-N 3.01Å |
| 187 | V | 36.8 | Very low | 42.2 | Very low | 88 Ų | 88 | 108.3 Ų | 108.3 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 178 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | Y184 Y185 Q190 E191 | Y184-V187 PolarHBondContact O-N 3.45Å; Y185-V187 PolarHBondContact O-N 2.78Å; V187-Q190 PolarHBondContact O-N 3.42Å; V187-E191 PolarHBondContact O-N 3.16Å; V187-E191 VanDerWaalsContact O-N 3.09Å |
| 188 | Y | 31.6 | Very low | 42.5 | Very low | 126 Ų | 126 | 111.3 Ų | 111.3 | 49% | 0.494 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 177.5 | -129.6 | -88.6 | 0 | 0 | 0 | 112.4 | Y184 Y185 N192 | Y184-Y188 PolarHBondContact O-N 3.42Å; Y184-Y188 VanDerWaalsContact O-N 3.16Å; Y185-Y188 PolarHBondContact O-N 3.1Å; Y188-N192 VanDerWaalsContact O-CB 3.3Å; Y188-N192 WeakPolarHBondContact O-CB 3.26Å; Y188-N192 VanDerWaalsContact O-CG 3.28Å; Y188-N192 PolarHBondContact O-N 2.98Å; Y188-N192 VanDerWaalsContact O-N 3.16Å; Y188-N192 PolarHBondContact O-ND2 2.8Å |
| 189 | C | 33.7 | Very low | 43.2 | Very low | 51 Ų | 51 | 105.9 Ų | 105.9 | 35% | 0.345 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 174.4 | -99.5 | 0 | 0 | 0 | 0 | 111.2 | Y185 P186 N192 I193 | Y185-C189 VanDerWaalsContact O-CB 3.32Å; Y185-C189 WeakPolarHBondContact O-CB 3.3Å; Y185-C189 PolarHBondContact O-N 3.21Å; P186-C189 PolarHBondContact O-N 3.3Å; C189-N192 PolarHBondContact O-N 3.27Å; C189-I193 HydrophobicContact CB-CD1 4.48Å; C189-I193 WeakPolarHBondContact O-CB 3.34Å; C189-I193 WeakPolarHBondContact O-CD1 3.43Å; C189-I193 WeakPolarHBondContact O-CG1 3.36Å; C189-I193 PolarHBondContact O-N 3.46Å |
| 190 | Q | 38.8 | Very low | 44 | Very low | 110 Ų | 110 | 104.6 Ų | 104.6 | 51% | 0.514 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -47.4 | -177.4 | -167.1 | 169.5 | 2.1 | 0 | 0 | 111.8 | P186 V187 N192 I193 Y194 | P186-Q190 VanDerWaalsContact O-CB 3.28Å; P186-Q190 WeakPolarHBondContact O-CB 3.44Å; P186-Q190 PolarHBondContact O-N 3.01Å; V187-Q190 PolarHBondContact O-N 3.42Å; Q190-N192 VanDerWaalsContact C-N 3.3Å; Q190-N192 PolarHBondContact O-N 3.5Å; Q190-I193 PolarHBondContact O-N 3.41Å; Q190-Y194 HydrophobicContact CG-CD2 3.97Å; Q190-Y194 HydrophobicContact CG-CE2 3.78Å; Q190-Y194 VanDerWaalsContact O-CD2 3.23Å; Q190-Y194 WeakPolarHBondContact O-CD2 3.36Å; Q190-Y194 PolarHBondContact O-N 3.38Å |
| 191 | E | 43.1 | Very low | 44.8 | Very low | 132 Ų | 132 | 103.9 Ų | 103.9 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62 | -38 | 175 | -74.8 | -172.5 | 169.7 | 0 | 0 | 112.3 | V187 S195 | V187-E191 PolarHBondContact O-N 3.16Å; V187-E191 VanDerWaalsContact O-N 3.09Å; E191-S195 WeakPolarHBondContact O-CB 3.49Å; E191-S195 PolarHBondContact O-N 2.86Å; E191-S195 PolarHBondContact O-OG 2.94Å |
| 192 | N | 48.4 | Very low | 45.6 | Very low | 81 Ų | 81 | 106.8 Ų | 106.8 | 43% | 0.433 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 176.1 | -80.1 | -19.8 | 0 | 0 | 0 | 112.5 | Y188 C189 Q190 S195 L196 | Y188-N192 VanDerWaalsContact O-CB 3.3Å; Y188-N192 WeakPolarHBondContact O-CB 3.26Å; Y188-N192 VanDerWaalsContact O-CG 3.28Å; Y188-N192 PolarHBondContact O-N 2.98Å; Y188-N192 VanDerWaalsContact O-N 3.16Å; Y188-N192 PolarHBondContact O-ND2 2.8Å; C189-N192 PolarHBondContact O-N 3.27Å; Q190-N192 VanDerWaalsContact C-N 3.3Å; Q190-N192 PolarHBondContact O-N 3.5Å; N192-S195 PolarHBondContact O-N 2.81Å; N192-L196 WeakPolarHBondContact O-CB 3.48Å; N192-L196 PolarHBondContact O-N 3.29Å |
| 193 | I | 44.3 | Very low | 46.7 | Very low | 96 Ų | 96 | 100.7 Ų | 100.7 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 176.8 | -70.1 | 161.3 | 0 | 0 | 0 | 109.7 | C189 Q190 S195 L196 M197 | C189-I193 HydrophobicContact CB-CD1 4.48Å; C189-I193 WeakPolarHBondContact O-CB 3.34Å; C189-I193 WeakPolarHBondContact O-CD1 3.43Å; C189-I193 WeakPolarHBondContact O-CG1 3.36Å; C189-I193 PolarHBondContact O-N 3.46Å; Q190-I193 PolarHBondContact O-N 3.41Å; I193-S195 PolarHBondContact O-N 2.85Å; I193-L196 PolarHBondContact O-N 3.23Å; I193-M197 HydrophobicContact CG2-CG 4.27Å; I193-M197 HydrophobicContact CG2-SD 4.08Å; I193-M197 WeakPolarHBondContact O-CB 3.44Å; I193-M197 VanDerWaalsContact O-CG 3.28Å; I193-M197 WeakPolarHBondContact O-CG 3.2Å; I193-M197 PolarHBondContact O-N 2.69Å |
| 194 | Y | 44.9 | Very low | 48 | Very low | 139 Ų | 139 | 96.2 Ų | 96.2 | 55% | 0.545 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 175.9 | -84.6 | -70.3 | 0 | 0 | 0 | 112.2 | Q190 L196 M197 I198 | Q190-Y194 HydrophobicContact CG-CD2 3.97Å; Q190-Y194 HydrophobicContact CG-CE2 3.78Å; Q190-Y194 VanDerWaalsContact O-CD2 3.23Å; Q190-Y194 WeakPolarHBondContact O-CD2 3.36Å; Q190-Y194 PolarHBondContact O-N 3.38Å; Y194-L196 VanDerWaalsContact C-N 3.32Å; Y194-L196 PolarHBondContact O-N 2.98Å; Y194-M197 PolarHBondContact O-N 3.29Å; Y194-I198 WeakPolarHBondContact O-CB 3.24Å; Y194-I198 VanDerWaalsContact O-CG1 3.27Å; Y194-I198 WeakPolarHBondContact O-CG1 3.44Å; Y194-I198 PolarHBondContact O-N 3.49Å |
| 195 | S | 50.9 | Low | 49.2 | Very low | 46 Ų | 46 | 94.3 Ų | 94.3 | 32% | 0.322 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 176.8 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | E191 N192 I193 I198 L199 | E191-S195 WeakPolarHBondContact O-CB 3.49Å; E191-S195 PolarHBondContact O-N 2.86Å; E191-S195 PolarHBondContact O-OG 2.94Å; N192-S195 PolarHBondContact O-N 2.81Å; I193-S195 PolarHBondContact O-N 2.85Å; S195-I198 PolarHBondContact O-N 3.34Å; S195-L199 VanDerWaalsContact O-CB 3.3Å; S195-L199 WeakPolarHBondContact O-CB 3.41Å; S195-L199 PolarHBondContact O-N 3.45Å |
| 196 | L | 56.9 | Low | 51 | Low | 106 Ų | 106 | 92.6 Ų | 92.6 | 56% | 0.555 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.2 | -39.4 | 175.6 | -172.7 | 68.6 | 0 | 0 | 0 | 111.9 | N192 I193 Y194 L199 T200 | N192-L196 WeakPolarHBondContact O-CB 3.48Å; N192-L196 PolarHBondContact O-N 3.29Å; I193-L196 PolarHBondContact O-N 3.23Å; Y194-L196 VanDerWaalsContact C-N 3.32Å; Y194-L196 PolarHBondContact O-N 2.98Å; L196-L199 PolarHBondContact O-N 3.18Å; L196-T200 WeakPolarHBondContact O-CB 3.49Å; L196-T200 WeakPolarHBondContact O-CG2 3.27Å; L196-T200 PolarHBondContact O-N 2.93Å; L196-T200 PolarHBondContact O-OG1 3.39Å |
| 197 | M | 58.5 | Low | 52.5 | Low | 99 Ų | 99 | 91.6 Ų | 91.6 | 49% | 0.488 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 175.1 | -78.1 | -175.6 | 69.3 | 0 | 0 | 111.5 | I193 Y194 L199 T200 I201 | I193-M197 HydrophobicContact CG2-CG 4.27Å; I193-M197 HydrophobicContact CG2-SD 4.08Å; I193-M197 WeakPolarHBondContact O-CB 3.44Å; I193-M197 VanDerWaalsContact O-CG 3.28Å; I193-M197 WeakPolarHBondContact O-CG 3.2Å; I193-M197 PolarHBondContact O-N 2.69Å; Y194-M197 PolarHBondContact O-N 3.29Å; M197-L199 VanDerWaalsContact C-N 3.31Å; M197-L199 PolarHBondContact O-N 3.06Å; M197-T200 VanDerWaalsContact CA-OG1 3.26Å; M197-T200 WeakPolarHBondContact CA-OG1 3.48Å; M197-T200 PolarHBondContact O-N 3.49Å; M197-T200 PolarHBondContact O-OG1 3.49Å; M197-I201 WeakPolarHBondContact O-CB 3.47Å; M197-I201 WeakPolarHBondContact O-CD1 3.3Å; M197-I201 VanDerWaalsContact O-CG1 3.24Å; M197-I201 WeakPolarHBondContact O-CG1 3.4Å; M197-I201 PolarHBondContact O-N 3.2Å |
| 198 | I | 55.6 | Low | 53.6 | Low | 95 Ų | 95 | 89.6 Ų | 89.6 | 49% | 0.487 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 176.4 | -68.7 | 167.5 | 0 | 0 | 0 | 109.9 | Y194 S195 I201 H202 | Y194-I198 WeakPolarHBondContact O-CB 3.24Å; Y194-I198 VanDerWaalsContact O-CG1 3.27Å; Y194-I198 WeakPolarHBondContact O-CG1 3.44Å; Y194-I198 PolarHBondContact O-N 3.49Å; S195-I198 PolarHBondContact O-N 3.34Å; I198-I201 PolarHBondContact O-N 3.39Å; I198-H202 WeakPolarHBondContact O-CB 3.23Å; I198-H202 PolarHBondContact O-N 3.16Å; I198-H202 PolarHBondContact O-ND1 3Å |
| 199 | L | 59.2 | Low | 55.1 | Low | 81 Ų | 81 | 88.7 Ų | 88.7 | 42% | 0.424 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 178.8 | -170.6 | 71.8 | 0 | 0 | 0 | 112.1 | Y138 S195 L196 M197 H202 F203 | Y138-L199 HydrophobicContact CE1-CD2 4.05Å; S195-L199 VanDerWaalsContact O-CB 3.3Å; S195-L199 WeakPolarHBondContact O-CB 3.41Å; S195-L199 PolarHBondContact O-N 3.45Å; L196-L199 PolarHBondContact O-N 3.18Å; M197-L199 VanDerWaalsContact C-N 3.31Å; M197-L199 PolarHBondContact O-N 3.06Å; L199-H202 PolarHBondContact O-N 3.22Å; L199-F203 WeakPolarHBondContact O-CB 3.13Å; L199-F203 PolarHBondContact O-N 3.34Å |
| 200 | T | 62.6 | Low | 56.6 | Low | 64 Ų | 64 | 90.3 Ų | 90.3 | 39% | 0.393 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 177.2 | 46 | 0 | 0 | 0 | 0 | 111.9 | L196 M197 F203 I204 | L196-T200 WeakPolarHBondContact O-CB 3.49Å; L196-T200 WeakPolarHBondContact O-CG2 3.27Å; L196-T200 PolarHBondContact O-N 2.93Å; L196-T200 PolarHBondContact O-OG1 3.39Å; M197-T200 VanDerWaalsContact CA-OG1 3.26Å; M197-T200 WeakPolarHBondContact CA-OG1 3.48Å; M197-T200 PolarHBondContact O-N 3.49Å; M197-T200 PolarHBondContact O-OG1 3.49Å; T200-F203 WeakPolarHBondContact O-CB 3.28Å; T200-F203 PolarHBondContact O-N 3Å; T200-I204 VanDerWaalsContact O-CG1 3.26Å; T200-I204 WeakPolarHBondContact O-CG1 3.47Å; T200-I204 PolarHBondContact O-N 3.46Å |
| 201 | I | 57 | Low | 58.2 | Low | 88 Ų | 88 | 90 Ų | 90 | 45% | 0.451 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 172 | -70 | 162.5 | 0 | 0 | 0 | 110.7 | M197 I198 F203 I204 L205 | M197-I201 WeakPolarHBondContact O-CB 3.47Å; M197-I201 WeakPolarHBondContact O-CD1 3.3Å; M197-I201 VanDerWaalsContact O-CG1 3.24Å; M197-I201 WeakPolarHBondContact O-CG1 3.4Å; M197-I201 PolarHBondContact O-N 3.2Å; I198-I201 PolarHBondContact O-N 3.39Å; I201-F203 VanDerWaalsContact C-N 3.28Å; I201-F203 PolarHBondContact O-N 3.21Å; I201-I204 PolarHBondContact O-N 3.35Å; I201-L205 HydrophobicContact CG2-CD1 3.88Å; I201-L205 HydrophobicContact CG2-CG 4.43Å; I201-L205 WeakPolarHBondContact O-CB 3.35Å; I201-L205 WeakPolarHBondContact O-CG 3.28Å; I201-L205 PolarHBondContact O-N 3.42Å |
| 202 | H | 60.4 | Low | 59.2 | Low | 119 Ų | 119 | 86.4 Ų | 86.4 | 55% | 0.551 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.2 | -39 | 176.3 | -81.6 | 77.2 | 0 | 0 | 0 | 111.7 | I198 L199 L205 F206 | I198-H202 WeakPolarHBondContact O-CB 3.23Å; I198-H202 PolarHBondContact O-N 3.16Å; I198-H202 PolarHBondContact O-ND1 3Å; L199-H202 PolarHBondContact O-N 3.22Å; H202-L205 PolarHBondContact O-N 3.35Å; H202-F206 WeakPolarHBondContact O-CB 3.48Å; H202-F206 PolarHBondContact O-N 3.28Å |
| 203 | F | 61.1 | Low | 60 | Low | 42 Ų | 42 | 86.6 Ų | 86.6 | 18% | 0.184 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 175.5 | 176.5 | -116.7 | 0 | 0 | 0 | 112.2 | L59 Y134 L199 T200 I201 L205 F206 N207 | L59-F203 HydrophobicContact CD2-CE1 4.02Å; L59-F203 HydrophobicContact CD2-CZ 4.48Å; Y134-F203 HydrophobicContact CE1-CD2 4.1Å; Y134-F203 AromaticContact CE1-CE2 3.43Å; Y134-F203 HydrophobicContact CE1-CE2 3.43Å; Y134-F203 VanDerWaalsContact CE1-CE2 3.43Å; Y134-F203 AromaticContact CE1-CZ 3.9Å; Y134-F203 HydrophobicContact CE1-CZ 3.9Å; Y134-F203 HydrophobicContact CE2-CE2 4.17Å; Y134-F203 AromaticContact CZ-CD2 3.69Å; Y134-F203 AromaticContact CZ-CE2 3.2Å; Y134-F203 WeakPolarHBondContact OH-CD2 3.35Å; Y134-F203 WeakPolarHBondContact OH-CE2 3.25Å; L199-F203 WeakPolarHBondContact O-CB 3.13Å; L199-F203 PolarHBondContact O-N 3.34Å; T200-F203 WeakPolarHBondContact O-CB 3.28Å; T200-F203 PolarHBondContact O-N 3Å; I201-F203 VanDerWaalsContact C-N 3.28Å; I201-F203 PolarHBondContact O-N 3.21Å; F203-L205 PolarHBondContact O-N 3.44Å; F203-F206 PolarHBondContact O-N 3.29Å; F203-N207 WeakPolarHBondContact CD2-ND2 3.48Å; F203-N207 VanDerWaalsContact CE1-ND2 3.29Å; F203-N207 WeakPolarHBondContact CE1-ND2 3.34Å; F203-N207 WeakPolarHBondContact CE2-ND2 3.27Å; F203-N207 WeakPolarHBondContact CZ-ND2 3.47Å; F203-N207 WeakPolarHBondContact O-CB 3.39Å; F203-N207 VanDerWaalsContact O-CG 3.28Å; F203-N207 PolarHBondContact O-N 3.21Å; F203-N207 PolarHBondContact O-ND2 3.35Å |
| 204 | I | 63.6 | Low | 61.2 | Low | 82 Ų | 82 | 87.6 Ų | 87.6 | 42% | 0.421 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 177.4 | -68.9 | 164.5 | 0 | 0 | 0 | 110.3 | T200 I201 S208 | T200-I204 VanDerWaalsContact O-CG1 3.26Å; T200-I204 WeakPolarHBondContact O-CG1 3.47Å; T200-I204 PolarHBondContact O-N 3.46Å; I201-I204 PolarHBondContact O-N 3.35Å; I204-S208 WeakPolarHBondContact O-CB 3.43Å; I204-S208 PolarHBondContact O-N 3.09Å; I204-S208 PolarHBondContact O-OG 3.48Å |
| 205 | L | 60.8 | Low | 62.1 | Low | 108 Ų | 108 | 82.9 Ų | 82.9 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.3 | -39.2 | 178.3 | -73.2 | 172.2 | 0 | 0 | 0 | 112.6 | I201 H202 F203 S208 F209 | I201-L205 HydrophobicContact CG2-CD1 3.88Å; I201-L205 HydrophobicContact CG2-CG 4.43Å; I201-L205 WeakPolarHBondContact O-CB 3.35Å; I201-L205 WeakPolarHBondContact O-CG 3.28Å; I201-L205 PolarHBondContact O-N 3.42Å; H202-L205 PolarHBondContact O-N 3.35Å; F203-L205 PolarHBondContact O-N 3.44Å; L205-S208 WeakPolarHBondContact CA-OG 3.29Å; L205-S208 PolarHBondContact O-OG 3.29Å; L205-F209 WeakPolarHBondContact O-CB 3.32Å; L205-F209 PolarHBondContact O-N 2.91Å |
| 206 | F | 71.4 | Confident | 62.8 | Low | 113 Ų | 113 | 84.8 Ų | 84.8 | 50% | 0.496 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.3 | -42.8 | 179 | -175.5 | -104.4 | 0 | 0 | 0 | 111.6 | H202 F203 F209 L210 | H202-F206 WeakPolarHBondContact O-CB 3.48Å; H202-F206 PolarHBondContact O-N 3.28Å; F203-F206 PolarHBondContact O-N 3.29Å; F206-F209 PolarHBondContact O-N 3.45Å; F206-L210 HydrophobicContact CD1-CD1 3.8Å; F206-L210 HydrophobicContact CD1-CG 4.37Å; F206-L210 HydrophobicContact CE1-CD1 3.3Å; F206-L210 HydrophobicContact CE1-CG 4.01Å; F206-L210 HydrophobicContact CZ-CD1 3.81Å; F206-L210 HydrophobicContact CZ-CD2 4.41Å; F206-L210 HydrophobicContact CZ-CG 4.13Å; F206-L210 WeakPolarHBondContact O-CG 3.1Å; F206-L210 PolarHBondContact O-N 3.32Å |
| 207 | N | 63.4 | Low | 63.4 | Low | 58 Ų | 58 | 85.4 Ų | 85.4 | 31% | 0.31 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 176.7 | -71.1 | -20.8 | 0 | 0 | 0 | 112.3 | F203 F209 L210 F211 | F203-N207 WeakPolarHBondContact CD2-ND2 3.48Å; F203-N207 VanDerWaalsContact CE1-ND2 3.29Å; F203-N207 WeakPolarHBondContact CE1-ND2 3.34Å; F203-N207 WeakPolarHBondContact CE2-ND2 3.27Å; F203-N207 WeakPolarHBondContact CZ-ND2 3.47Å; F203-N207 WeakPolarHBondContact O-CB 3.39Å; F203-N207 VanDerWaalsContact O-CG 3.28Å; F203-N207 PolarHBondContact O-N 3.21Å; F203-N207 PolarHBondContact O-ND2 3.35Å; N207-F209 VanDerWaalsContact C-N 3.33Å; N207-L210 PolarHBondContact O-N 3.46Å; N207-F211 VanDerWaalsContact O-CB 3.31Å; N207-F211 WeakPolarHBondContact O-CB 3.46Å; N207-F211 PolarHBondContact O-N 3.37Å |
| 208 | S | 60.1 | Low | 63.7 | Low | 45 Ų | 45 | 83.2 Ų | 83.2 | 32% | 0.315 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 176 | 59.9 | 0 | 0 | 0 | 0 | 111.5 | I204 L205 F211 L212 | I204-S208 WeakPolarHBondContact O-CB 3.43Å; I204-S208 PolarHBondContact O-N 3.09Å; I204-S208 PolarHBondContact O-OG 3.48Å; L205-S208 WeakPolarHBondContact CA-OG 3.29Å; L205-S208 PolarHBondContact O-OG 3.29Å; S208-F211 PolarHBondContact O-N 2.67Å; S208-L212 WeakPolarHBondContact O-CB 3.43Å; S208-L212 PolarHBondContact O-N 2.93Å |
| 209 | F | 62.7 | Low | 64.2 | Low | 108 Ų | 108 | 82.2 Ų | 82.2 | 47% | 0.474 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64 | -46.4 | 172.2 | -178.8 | -98.8 | 0 | 0 | 0 | 112.5 | L205 F206 N207 F211 L212 M213 | L205-F209 WeakPolarHBondContact O-CB 3.32Å; L205-F209 PolarHBondContact O-N 2.91Å; F206-F209 PolarHBondContact O-N 3.45Å; N207-F209 VanDerWaalsContact C-N 3.33Å; F209-F211 VanDerWaalsContact C-N 3.34Å; F209-F211 PolarHBondContact O-N 3.16Å; F209-L212 WeakPolarHBondContact O-CB 3.37Å; F209-L212 PolarHBondContact O-N 2.87Å; F209-M213 HydrophobicContact CD1-CG 4.17Å; F209-M213 HydrophobicContact CE1-CG 3.71Å; F209-M213 HydrophobicContact CE1-SD 4.46Å; F209-M213 HydrophobicContact CE2-CG 4.24Å; F209-M213 HydrophobicContact CE2-SD 4.33Å; F209-M213 HydrophobicContact CZ-CG 3.74Å; F209-M213 HydrophobicContact CZ-SD 3.93Å; F209-M213 WeakPolarHBondContact O-CG 3.28Å; F209-M213 PolarHBondContact O-N 3.09Å |
| 210 | L | 64.8 | Low | 64.3 | Low | 85 Ų | 85 | 84.5 Ų | 84.5 | 45% | 0.445 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 176 | -78.6 | 177.8 | 0 | 0 | 0 | 111.9 | F206 N207 L212 M213 Y214 | F206-L210 HydrophobicContact CD1-CD1 3.8Å; F206-L210 HydrophobicContact CD1-CG 4.37Å; F206-L210 HydrophobicContact CE1-CD1 3.3Å; F206-L210 HydrophobicContact CE1-CG 4.01Å; F206-L210 HydrophobicContact CZ-CD1 3.81Å; F206-L210 HydrophobicContact CZ-CD2 4.41Å; F206-L210 HydrophobicContact CZ-CG 4.13Å; F206-L210 WeakPolarHBondContact O-CG 3.1Å; F206-L210 PolarHBondContact O-N 3.32Å; N207-L210 PolarHBondContact O-N 3.46Å; L210-L212 VanDerWaalsContact C-N 3.31Å; L210-L212 PolarHBondContact O-N 3.28Å; L210-M213 PolarHBondContact O-N 3.46Å; L210-Y214 WeakPolarHBondContact O-CB 3.29Å; L210-Y214 PolarHBondContact O-N 2.82Å |
| 211 | F | 72.4 | Confident | 64.6 | Low | 102 Ų | 102 | 86.7 Ų | 86.7 | 45% | 0.447 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 176.2 | -178.3 | -96.6 | 0 | 0 | 0 | 111.7 | N207 S208 F209 Y214 S215 | N207-F211 VanDerWaalsContact O-CB 3.31Å; N207-F211 WeakPolarHBondContact O-CB 3.46Å; N207-F211 PolarHBondContact O-N 3.37Å; S208-F211 PolarHBondContact O-N 2.67Å; F209-F211 VanDerWaalsContact C-N 3.34Å; F209-F211 PolarHBondContact O-N 3.16Å; F211-Y214 PolarHBondContact O-N 3.46Å; F211-S215 WeakPolarHBondContact O-CB 3.22Å; F211-S215 PolarHBondContact O-N 3.28Å; F211-S215 PolarHBondContact O-OG 3.26Å |
| 212 | L | 64.3 | Low | 64.7 | Low | 57 Ų | 57 | 88.5 Ų | 88.5 | 30% | 0.298 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 175.4 | -178.8 | 61.5 | 0 | 0 | 0 | 111.7 | F44 S208 F209 L210 Y214 S215 L216 | F44-L212 HydrophobicContact CE1-CD1 3.58Å; F44-L212 HydrophobicContact CZ-CD1 3.41Å; F44-L212 VanDerWaalsContact CZ-CD1 3.41Å; F44-L212 HydrophobicContact CZ-CD2 4.21Å; F44-L212 HydrophobicContact CZ-CG 4.41Å; S208-L212 WeakPolarHBondContact O-CB 3.43Å; S208-L212 PolarHBondContact O-N 2.93Å; F209-L212 WeakPolarHBondContact O-CB 3.37Å; F209-L212 PolarHBondContact O-N 2.87Å; L210-L212 VanDerWaalsContact C-N 3.31Å; L210-L212 PolarHBondContact O-N 3.28Å; L212-Y214 VanDerWaalsContact C-N 3.31Å; L212-Y214 PolarHBondContact O-N 2.82Å; L212-S215 PolarHBondContact O-N 3.12Å; L212-L216 HydrophobicContact CD1-CD1 4.33Å; L212-L216 HydrophobicContact CG-CD1 4.09Å; L212-L216 WeakPolarHBondContact O-CB 3.15Å; L212-L216 PolarHBondContact O-N 3.36Å |
| 213 | M | 65.5 | Low | 64.6 | Low | 85 Ų | 85 | 89.5 Ų | 89.5 | 42% | 0.419 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 178.6 | -71.1 | -59.9 | -61.8 | 0 | 0 | 112 | F209 L210 L216 Q217 | F209-M213 HydrophobicContact CD1-CG 4.17Å; F209-M213 HydrophobicContact CE1-CG 3.71Å; F209-M213 HydrophobicContact CE1-SD 4.46Å; F209-M213 HydrophobicContact CE2-CG 4.24Å; F209-M213 HydrophobicContact CE2-SD 4.33Å; F209-M213 HydrophobicContact CZ-CG 3.74Å; F209-M213 HydrophobicContact CZ-SD 3.93Å; F209-M213 WeakPolarHBondContact O-CG 3.28Å; F209-M213 PolarHBondContact O-N 3.09Å; L210-M213 PolarHBondContact O-N 3.46Å; M213-L216 PolarHBondContact O-N 3.3Å; M213-Q217 WeakPolarHBondContact O-CG 3.5Å; M213-Q217 PolarHBondContact O-N 2.89Å |
| 214 | Y | 68.3 | Low | 64.4 | Low | 118 Ų | 118 | 97.3 Ų | 97.3 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 176.8 | -171 | -105.3 | 0 | 0 | 0 | 111.9 | L210 F211 L212 L216 Q217 L218 | L210-Y214 WeakPolarHBondContact O-CB 3.29Å; L210-Y214 PolarHBondContact O-N 2.82Å; F211-Y214 PolarHBondContact O-N 3.46Å; L212-Y214 VanDerWaalsContact C-N 3.31Å; L212-Y214 PolarHBondContact O-N 2.82Å; Y214-L216 VanDerWaalsContact C-N 3.33Å; Y214-L216 PolarHBondContact O-N 3.11Å; Y214-Q217 PolarHBondContact O-N 3.34Å; Y214-L218 HydrophobicContact CD1-CD1 3.54Å; Y214-L218 HydrophobicContact CE1-CD1 3.26Å; Y214-L218 HydrophobicContact CE1-CG 4.32Å; Y214-L218 HydrophobicContact CG-CD1 4.43Å; Y214-L218 PolarHBondContact O-N 3.22Å |
| 215 | S | 63.5 | Low | 64.4 | Low | 39 Ų | 39 | 98.1 Ų | 98.1 | 27% | 0.273 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 175.6 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | F211 L212 L218 T219 | F211-S215 WeakPolarHBondContact O-CB 3.22Å; F211-S215 PolarHBondContact O-N 3.28Å; F211-S215 PolarHBondContact O-OG 3.26Å; L212-S215 PolarHBondContact O-N 3.12Å; S215-L218 WeakPolarHBondContact O-CB 3.29Å; S215-L218 PolarHBondContact O-N 3.27Å; S215-T219 WeakPolarHBondContact O-CG2 3.05Å; S215-T219 PolarHBondContact O-N 2.84Å; S215-T219 PolarHBondContact O-OG1 3.42Å |
| 216 | L | 65.9 | Low | 64.6 | Low | 87 Ų | 87 | 97.5 Ų | 97.5 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 174.1 | -87.5 | 157 | 0 | 0 | 0 | 112 | L212 M213 Y214 L218 T219 M220 | L212-L216 HydrophobicContact CD1-CD1 4.33Å; L212-L216 HydrophobicContact CG-CD1 4.09Å; L212-L216 WeakPolarHBondContact O-CB 3.15Å; L212-L216 PolarHBondContact O-N 3.36Å; M213-L216 PolarHBondContact O-N 3.3Å; Y214-L216 VanDerWaalsContact C-N 3.33Å; Y214-L216 PolarHBondContact O-N 3.11Å; L216-L218 VanDerWaalsContact C-N 3.34Å; L216-L218 PolarHBondContact O-N 3.47Å; L216-T219 WeakPolarHBondContact CA-OG1 3.44Å; L216-T219 PolarHBondContact O-N 3.47Å; L216-T219 PolarHBondContact O-OG1 3.03Å; L216-M220 VanDerWaalsContact O-CG 3.31Å; L216-M220 WeakPolarHBondContact O-CG 3.31Å; L216-M220 PolarHBondContact O-N 3.19Å |
| 217 | Q | 70.3 | Confident | 64.2 | Low | 119 Ų | 119 | 96.7 Ų | 96.7 | 56% | 0.556 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.5 | -42.9 | 175.7 | -77.6 | -179.3 | -30.1 | 0 | 0 | 112 | M213 Y214 M220 I221 | M213-Q217 WeakPolarHBondContact O-CG 3.5Å; M213-Q217 PolarHBondContact O-N 2.89Å; Y214-Q217 PolarHBondContact O-N 3.34Å; Q217-M220 PolarHBondContact O-N 2.65Å; Q217-I221 WeakPolarHBondContact O-CG1 3.33Å; Q217-I221 PolarHBondContact O-N 3.49Å |
| 218 | L | 64.8 | Low | 64.3 | Low | 53 Ų | 53 | 98.9 Ų | 98.9 | 28% | 0.277 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59 | -48.1 | 174.5 | -89.7 | 150.9 | 0 | 0 | 0 | 112 | Y214 S215 L216 M220 I221 D222 | Y214-L218 HydrophobicContact CD1-CD1 3.54Å; Y214-L218 HydrophobicContact CE1-CD1 3.26Å; Y214-L218 HydrophobicContact CE1-CG 4.32Å; Y214-L218 HydrophobicContact CG-CD1 4.43Å; Y214-L218 PolarHBondContact O-N 3.22Å; S215-L218 WeakPolarHBondContact O-CB 3.29Å; S215-L218 PolarHBondContact O-N 3.27Å; L216-L218 VanDerWaalsContact C-N 3.34Å; L216-L218 PolarHBondContact O-N 3.47Å; L218-M220 PolarHBondContact O-N 3.3Å; L218-I221 PolarHBondContact O-N 2.78Å; L218-I221 VanDerWaalsContact O-N 3.07Å; L218-D222 PolarHBondContact O-N 2.97Å |
| 219 | T | 65.9 | Low | 64.5 | Low | 73 Ų | 73 | 102.3 Ų | 102.3 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -28 | 178.3 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | S215 L216 N223 | S215-T219 WeakPolarHBondContact O-CG2 3.05Å; S215-T219 PolarHBondContact O-N 2.84Å; S215-T219 PolarHBondContact O-OG1 3.42Å; L216-T219 WeakPolarHBondContact CA-OG1 3.44Å; L216-T219 PolarHBondContact O-N 3.47Å; L216-T219 PolarHBondContact O-OG1 3.03Å; T219-N223 PolarHBondContact O-N 2.71Å; T219-N223 PolarHBondContact O-ND2 3.25Å |
| 220 | M | 62.2 | Low | 64.6 | Low | 130 Ų | 130 | 101.9 Ų | 101.9 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -75.2 | -32.9 | 174.8 | -70.4 | -73.6 | -77 | 0 | 0 | 111.9 | L216 Q217 L218 | L216-M220 VanDerWaalsContact O-CG 3.31Å; L216-M220 WeakPolarHBondContact O-CG 3.31Å; L216-M220 PolarHBondContact O-N 3.19Å; Q217-M220 PolarHBondContact O-N 2.65Å; L218-M220 PolarHBondContact O-N 3.3Å |
| 221 | I | 67.8 | Low | 64.6 | Low | 109 Ų | 109 | 103.1 Ų | 103.1 | 56% | 0.559 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.5 | -40.9 | 176.2 | -67 | 164.5 | 0 | 0 | 0 | 110.6 | Q217 L218 N223 L224 | Q217-I221 WeakPolarHBondContact O-CG1 3.33Å; Q217-I221 PolarHBondContact O-N 3.49Å; L218-I221 PolarHBondContact O-N 2.78Å; L218-I221 VanDerWaalsContact O-N 3.07Å; I221-N223 PolarHBondContact O-N 3.24Å; I221-L224 PolarHBondContact O-N 3.07Å |
| 222 | D | 60.4 | Low | 64 | Low | 127 Ų | 127 | 103.2 Ų | 103.2 | 68% | 0.679 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.1 | -18.6 | 178.8 | -70.6 | -20.3 | 0 | 0 | 0 | 113.2 | L218 | L218-D222 PolarHBondContact O-N 2.97Å |
| 223 | N | 58.3 | Low | 64 | Low | 140 Ų | 140 | 107.1 Ų | 107.1 | 75% | 0.749 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -2.7 | 177.3 | -76.1 | -20.1 | 0 | 0 | 0 | 114 | T219 I221 | T219-N223 PolarHBondContact O-N 2.71Å; T219-N223 PolarHBondContact O-ND2 3.25Å; I221-N223 PolarHBondContact O-N 3.24Å |
| 224 | L | 55.3 | Low | 63.9 | Low | 205 Ų | 205 | 109.1 Ų | 109.1 | 100% | 1.073 | 56% | 0.561 | S | S | * | * | trans | -98.8 | 0 | 175.7 | -80.6 | 166.2 | 0 | 0 | 0 | 110.8 | I221 | I221-L224 PolarHBondContact O-N 3.07Š|
Retrieved 224 of 224 residues in 145.9 ms
(Link to these results)