| 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 | 43.1 | Very low | 48.4 | Very low | 248 Ų | 248 | 121.9 Ų | 121.9 | 100% | 1.222 | 67% | 0.673 | S | S | * | * | 0 | 65.5 | 0 | -73.7 | -166.4 | -86 | 0 | 0 | 109.7 | |||||
| 2 | S | 47 | Very low | 48.3 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 65% | 0.65 | 68% | 0.677 | S | S | * | * | trans | -117.1 | -7.3 | -176.3 | 35.3 | 0 | 0 | 0 | 0 | 113.4 | F4 | S2-F4 VanDerWaalsContact C-N 3.35Å; S2-F4 PolarHBondContact O-N 3.49Å | ||
| 3 | G | 51.8 | Low | 48.4 | Very low | 50 Ų | 50 | 122.8 Ų | 122.8 | 52% | 0.515 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -74.6 | -12.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | G7 | G3-G7 PolarHBondContact O-N 3.09Å |
| 4 | F | 53.7 | Low | 48.5 | Very low | 176 Ų | 176 | 119.6 Ų | 119.6 | 77% | 0.772 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.9 | -27.6 | 177.3 | -170.5 | -105.1 | 0 | 0 | 0 | 112.4 | S2 | S2-F4 VanDerWaalsContact C-N 3.35Å; S2-F4 PolarHBondContact O-N 3.49Å |
| 5 | L | 50.2 | Low | 49.2 | Very low | 130 Ų | 130 | 116.9 Ų | 116.9 | 68% | 0.681 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -85.4 | -17.9 | 175.3 | -65 | 177.9 | 0 | 0 | 0 | 112.9 | L8 | L5-L8 HydrophobicContact CD2-CD1 4.45Å |
| 6 | E | 52.1 | Low | 50.1 | Low | 133 Ų | 133 | 120.8 Ų | 120.8 | 62% | 0.621 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.9 | -29.2 | 170.6 | -86.3 | 171 | 145 | 0 | 0 | 112.6 | L8 R9 C10 | E6-L8 VanDerWaalsContact C-N 3.3Å; E6-L8 PolarHBondContact O-N 3.37Å; E6-R9 PolarHBondContact O-N 3.23Å; E6-C10 PolarHBondContact O-N 2.98Å |
| 7 | G | 47.2 | Very low | 51.1 | Low | 53 Ų | 53 | 114.4 Ų | 114.4 | 55% | 0.546 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.5 | -28.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G3 C10 | G3-G7 PolarHBondContact O-N 3.09Å; G7-C10 PolarHBondContact O-N 3.31Å |
| 8 | L | 48.8 | Very low | 52.2 | Low | 116 Ų | 116 | 114.9 Ų | 114.9 | 61% | 0.607 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -78.8 | -23.9 | 175 | -78.2 | 166.9 | 0 | 0 | 0 | 113.1 | L5 E6 C10 S11 | L5-L8 HydrophobicContact CD2-CD1 4.45Å; E6-L8 VanDerWaalsContact C-N 3.3Å; E6-L8 PolarHBondContact O-N 3.37Å; L8-C10 VanDerWaalsContact C-N 3.26Å; L8-C10 PolarHBondContact O-N 3Å; L8-S11 PolarHBondContact O-N 2.66Å |
| 9 | R | 46.4 | Very low | 53.6 | Low | 180 Ų | 180 | 114.8 Ų | 114.8 | 68% | 0.679 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.1 | -21.9 | 169.7 | -93 | -179.8 | 147.3 | 179.9 | -5.6 | 113 | E6 S11 E12 | E6-R9 PolarHBondContact O-N 3.23Å; R9-S11 PolarHBondContact O-N 2.64Å; R9-E12 WeakPolarHBondContact O-CB 3.36Å; R9-E12 PolarHBondContact O-N 3.2Å; R9-E12 VanDerWaalsContact O-N 3.13Å |
| 10 | C | 47.3 | Very low | 55 | Low | 89 Ų | 89 | 115.5 Ų | 115.5 | 60% | 0.601 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 1 | 174.8 | -152 | 0 | 0 | 0 | 0 | 113.5 | E6 G7 L8 | E6-C10 PolarHBondContact O-N 2.98Å; G7-C10 PolarHBondContact O-N 3.31Å; L8-C10 VanDerWaalsContact C-N 3.26Å; L8-C10 PolarHBondContact O-N 3Å |
| 11 | S | 44.6 | Very low | 56.4 | Low | 73 Ų | 73 | 112.2 Ų | 112.2 | 51% | 0.51 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.1 | -12.5 | 164.1 | -171.3 | 0 | 0 | 0 | 0 | 112.8 | L8 R9 C13 | L8-S11 PolarHBondContact O-N 2.66Å; R9-S11 PolarHBondContact O-N 2.64Å; S11-C13 VanDerWaalsContact C-N 3.31Å |
| 12 | E | 48 | Very low | 58.5 | Low | 154 Ų | 154 | 103.8 Ų | 103.8 | 72% | 0.72 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -8.8 | 170.3 | -71.3 | 179.5 | 139.7 | 0 | 0 | 112.4 | R9 | R9-E12 WeakPolarHBondContact O-CB 3.36Å; R9-E12 PolarHBondContact O-N 3.2Å; R9-E12 VanDerWaalsContact O-N 3.13Å |
| 13 | C | 49 | Very low | 60.5 | Low | 102 Ų | 102 | 105 Ų | 105 | 69% | 0.689 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -6.7 | 175.2 | -63.4 | 0 | 0 | 0 | 0 | 113.8 | S11 D15 | S11-C13 VanDerWaalsContact C-N 3.31Å; C13-D15 PolarHBondContact O-N 3.19Å |
| 14 | I | 49.3 | Very low | 62.3 | Low | 78 Ų | 78 | 103 Ų | 103 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -79.4 | 115.8 | 165.4 | -148.7 | 171.9 | 0 | 0 | 0 | 105.1 | W16 | I14-W16 HydrophobicContact CG2-CD2 4.38Å; I14-W16 HydrophobicContact CG2-CG 3.91Å; I14-W16 PolarHBondContact O-N 2.99Å |
| 15 | D | 59.7 | Low | 64.1 | Low | 79 Ų | 79 | 97 Ų | 97 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | trans | -67.7 | 71.1 | -174 | -155.4 | -24.3 | 0 | 0 | 0 | 110.9 | C13 G17 E18 K19 | C13-D15 PolarHBondContact O-N 3.19Å; D15-G17 PolarHBondContact O-N 3.46Å; D15-E18 HydrophobicContact CB-CB 3.95Å; D15-E18 PolarHBondContact O-N 3.08Å; D15-E18 WeakPolarHBondContact OD1-CB 3.26Å; D15-E18 PolarHBondContact OD1-N 3.4Å; D15-E18 WeakPolarHBondContact OD2-CB 3.34Å; D15-K19 WeakPolarHBondContact O-CB 3.24Å; D15-K19 WeakPolarHBondContact O-CG 3.2Å; D15-K19 PolarHBondContact O-N 3.02Å | ||
| 16 | W | 64.3 | Low | 66.2 | Low | 179 Ų | 179 | 95.8 Ų | 95.8 | 68% | 0.678 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.6 | -30 | 179.8 | -85.4 | 105.6 | 0 | 0 | 0 | 110.2 | I14 R20 | I14-W16 HydrophobicContact CG2-CD2 4.38Å; I14-W16 HydrophobicContact CG2-CG 3.91Å; I14-W16 PolarHBondContact O-N 2.99Å; W16-R20 WeakPolarHBondContact O-CB 3.3Å; W16-R20 PolarHBondContact O-N 3.24Å |
| 17 | G | 66.8 | Low | 68.2 | Low | 12 Ų | 12 | 91.2 Ų | 91.2 | 12% | 0.124 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.2 | -55 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D15 K19 R20 N21 | D15-G17 PolarHBondContact O-N 3.46Å; G17-K19 PolarHBondContact O-N 2.77Å; G17-R20 PolarHBondContact O-N 3.32Å; G17-N21 WeakPolarHBondContact O-CB 3.34Å; G17-N21 PolarHBondContact O-N 3.46Å; G17-N21 PolarHBondContact O-OD1 3.07Å |
| 18 | E | 70.8 | Confident | 70.4 | Confident | 124 Ų | 124 | 88.8 Ų | 88.8 | 58% | 0.579 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.7 | -39.2 | -178.9 | -161.9 | 179 | -138.9 | 0 | 0 | 112.4 | D15 N21 T22 | D15-E18 HydrophobicContact CB-CB 3.95Å; D15-E18 PolarHBondContact O-N 3.08Å; D15-E18 WeakPolarHBondContact OD1-CB 3.26Å; D15-E18 PolarHBondContact OD1-N 3.4Å; D15-E18 WeakPolarHBondContact OD2-CB 3.34Å; E18-N21 PolarHBondContact O-N 3.48Å; E18-T22 WeakPolarHBondContact O-CB 3.42Å; E18-T22 PolarHBondContact O-N 2.92Å; E18-T22 PolarHBondContact O-OG1 3.4Å |
| 19 | K | 78.6 | Confident | 72.6 | Confident | 112 Ų | 112 | 85.1 Ų | 85.1 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 171.7 | -73.5 | -176.1 | 179.7 | -176.8 | 0 | 112.1 | D15 G17 T22 I23 | D15-K19 WeakPolarHBondContact O-CB 3.24Å; D15-K19 WeakPolarHBondContact O-CG 3.2Å; D15-K19 PolarHBondContact O-N 3.02Å; G17-K19 PolarHBondContact O-N 2.77Å; K19-T22 PolarHBondContact O-N 3.44Å; K19-I23 WeakPolarHBondContact O-CD1 3.37Å; K19-I23 VanDerWaalsContact O-CG1 3.25Å; K19-I23 WeakPolarHBondContact O-CG1 3.35Å; K19-I23 PolarHBondContact O-N 3.35Å |
| 20 | R | 80.5 | Confident | 75 | Confident | 129 Ų | 129 | 80.6 Ų | 80.6 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 177.4 | 178.5 | 173.5 | 64.8 | -167.5 | -7.5 | 111.3 | W16 G17 T22 I23 A24 G150 T152 | W16-R20 WeakPolarHBondContact O-CB 3.3Å; W16-R20 PolarHBondContact O-N 3.24Å; G17-R20 PolarHBondContact O-N 3.32Å; R20-T22 VanDerWaalsContact C-N 3.32Å; R20-T22 PolarHBondContact O-N 3.17Å; R20-I23 PolarHBondContact O-N 2.82Å; R20-A24 VanDerWaalsContact O-CB 3.23Å; R20-A24 WeakPolarHBondContact O-CB 3.45Å; R20-A24 PolarHBondContact O-N 2.98Å; R20-G150 VanDerWaalsContact CG-O 3.31Å; R20-G150 WeakPolarHBondContact CG-O 3.43Å; R20-T152 VanDerWaalsContact CZ-OG1 3.32Å; R20-T152 PolarHBondContact NE-OG1 2.97Å; R20-T152 VanDerWaalsContact NE-OG1 3.17Å; R20-T152 PolarHBondContact NH2-OG1 3.33Å |
| 21 | N | 85.7 | Confident | 77.3 | Confident | 47 Ų | 47 | 78.3 Ų | 78.3 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 177.7 | -71.3 | -6.3 | 0 | 0 | 0 | 111.7 | G17 E18 S25 R151 T152 | G17-N21 WeakPolarHBondContact O-CB 3.34Å; G17-N21 PolarHBondContact O-N 3.46Å; G17-N21 PolarHBondContact O-OD1 3.07Å; E18-N21 PolarHBondContact O-N 3.48Å; N21-S25 WeakPolarHBondContact O-CB 3.36Å; N21-S25 PolarHBondContact O-N 3.15Å; N21-S25 PolarHBondContact O-OG 3.39Å; N21-S25 VanDerWaalsContact O-OG 3.12Å; N21-R151 WeakPolarHBondContact OD1-CA 3.26Å; N21-T152 PolarHBondContact ND2-O 3.48Å; N21-T152 PolarHBondContact OD1-N 3.42Å; N21-T152 PolarHBondContact OD1-O 3.32Å; N21-T152 PolarHBondContact OD1-OG1 2.85Å |
| 22 | T | 87.6 | Confident | 79.7 | Confident | 71 Ų | 71 | 77.6 Ų | 77.6 | 44% | 0.436 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 175.8 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | E18 K19 R20 S25 I26 | E18-T22 WeakPolarHBondContact O-CB 3.42Å; E18-T22 PolarHBondContact O-N 2.92Å; E18-T22 PolarHBondContact O-OG1 3.4Å; K19-T22 PolarHBondContact O-N 3.44Å; R20-T22 VanDerWaalsContact C-N 3.32Å; R20-T22 PolarHBondContact O-N 3.17Å; T22-S25 PolarHBondContact O-N 2.94Å; T22-S25 PolarHBondContact O-OG 3.4Å; T22-I26 HydrophobicContact CG2-CD1 3.83Å; T22-I26 WeakPolarHBondContact O-CB 3.22Å; T22-I26 WeakPolarHBondContact O-CD1 3.43Å; T22-I26 VanDerWaalsContact O-CG1 3.23Å; T22-I26 WeakPolarHBondContact O-CG1 3.3Å; T22-I26 PolarHBondContact O-N 2.9Å |
| 23 | I | 89.1 | Confident | 82 | Confident | 117 Ų | 117 | 76.2 Ų | 76.2 | 60% | 0.6 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -65.8 | -43.4 | 178.3 | -66.2 | 163.2 | 0 | 0 | 0 | 110.7 | K19 R20 S25 I26 A27 | K19-I23 WeakPolarHBondContact O-CD1 3.37Å; K19-I23 VanDerWaalsContact O-CG1 3.25Å; K19-I23 WeakPolarHBondContact O-CG1 3.35Å; K19-I23 PolarHBondContact O-N 3.35Å; R20-I23 PolarHBondContact O-N 2.82Å; I23-S25 PolarHBondContact O-N 3.26Å; I23-I26 PolarHBondContact O-N 3.05Å; I23-A27 VanDerWaalsContact O-CB 3.23Å; I23-A27 WeakPolarHBondContact O-CB 3.3Å; I23-A27 PolarHBondContact O-N 3.47Å |
| 24 | A | 89.6 | Confident | 84.3 | Confident | 8 Ų | 8 | 73.4 Ų | 73.4 | 7% | 0.066 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | R20 A28 | R20-A24 VanDerWaalsContact O-CB 3.23Å; R20-A24 WeakPolarHBondContact O-CB 3.45Å; R20-A24 PolarHBondContact O-N 2.98Å; A24-A28 WeakPolarHBondContact O-CB 3.38Å; A24-A28 PolarHBondContact O-N 3.49Å |
| 25 | S | 91.1 | Very high | 86.5 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 35% | 0.35 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.2 | -42.2 | 177.8 | 66.8 | 0 | 0 | 0 | 0 | 112.4 | N21 T22 I23 G29 | N21-S25 WeakPolarHBondContact O-CB 3.36Å; N21-S25 PolarHBondContact O-N 3.15Å; N21-S25 PolarHBondContact O-OG 3.39Å; N21-S25 VanDerWaalsContact O-OG 3.12Å; T22-S25 PolarHBondContact O-N 2.94Å; T22-S25 PolarHBondContact O-OG 3.4Å; I23-S25 PolarHBondContact O-N 3.26Å; S25-G29 PolarHBondContact O-N 3.2Å |
| 26 | I | 93.8 | Very high | 88.2 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 54% | 0.538 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.1 | -49.4 | 174.7 | -67.5 | 167.7 | 0 | 0 | 0 | 110.4 | T22 I23 A28 G29 V30 | T22-I26 HydrophobicContact CG2-CD1 3.83Å; T22-I26 WeakPolarHBondContact O-CB 3.22Å; T22-I26 WeakPolarHBondContact O-CD1 3.43Å; T22-I26 VanDerWaalsContact O-CG1 3.23Å; T22-I26 WeakPolarHBondContact O-CG1 3.3Å; T22-I26 PolarHBondContact O-N 2.9Å; I23-I26 PolarHBondContact O-N 3.05Å; I26-A28 PolarHBondContact O-N 3.04Å; I26-G29 PolarHBondContact O-N 3.5Å; I26-V30 HydrophobicContact CG2-CG2 4.41Å; I26-V30 WeakPolarHBondContact O-CG2 3.44Å; I26-V30 PolarHBondContact O-N 3.5Å |
| 27 | A | 93.5 | Very high | 89.6 | Confident | 37 Ų | 37 | 68 Ų | 68 | 31% | 0.306 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I23 V30 L31 V146 | I23-A27 VanDerWaalsContact O-CB 3.23Å; I23-A27 WeakPolarHBondContact O-CB 3.3Å; I23-A27 PolarHBondContact O-N 3.47Å; A27-V30 PolarHBondContact O-N 3.44Å; A27-L31 WeakPolarHBondContact O-CG 3.45Å; A27-L31 PolarHBondContact O-N 3.08Å; A27-V146 HydrophobicContact CB-CG1 4.04Å |
| 28 | A | 94.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 69.4 Ų | 69.4 | 2% | 0.017 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A24 I26 L31 F32 G143 V146 F147 | A24-A28 WeakPolarHBondContact O-CB 3.38Å; A24-A28 PolarHBondContact O-N 3.49Å; I26-A28 PolarHBondContact O-N 3.04Å; A28-L31 PolarHBondContact O-N 3.27Å; A28-F32 WeakPolarHBondContact O-CB 3.3Å; A28-F32 PolarHBondContact O-N 3.31Å; A28-G143 VanDerWaalsContact CB-O 3.28Å; A28-G143 WeakPolarHBondContact CB-O 3.47Å; A28-V146 HydrophobicContact CB-CG1 4.39Å; A28-F147 HydrophobicContact CB-CB 3.64Å; A28-F147 HydrophobicContact CB-CD2 3.88Å; A28-F147 HydrophobicContact CB-CG 4.25Å |
| 29 | G | 94.6 | Very high | 92 | Very high | 40 Ų | 40 | 63.7 Ų | 63.7 | 41% | 0.412 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S25 I26 F32 F33 | S25-G29 PolarHBondContact O-N 3.2Å; I26-G29 PolarHBondContact O-N 3.5Å; G29-F32 PolarHBondContact O-N 3.07Å; G29-F33 VanDerWaalsContact O-CB 3.3Å; G29-F33 WeakPolarHBondContact O-CB 3.48Å; G29-F33 PolarHBondContact O-N 3.03Å |
| 30 | V | 97 | Very high | 92.7 | Very high | 84 Ų | 84 | 62.9 Ų | 62.9 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.8 | -47 | 175.2 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | I26 A27 F32 F33 T34 | I26-V30 HydrophobicContact CG2-CG2 4.41Å; I26-V30 WeakPolarHBondContact O-CG2 3.44Å; I26-V30 PolarHBondContact O-N 3.5Å; A27-V30 PolarHBondContact O-N 3.44Å; V30-F32 PolarHBondContact O-N 3.47Å; V30-F33 PolarHBondContact O-N 2.88Å; V30-T34 HydrophobicContact CG1-CG2 4.28Å; V30-T34 VanDerWaalsContact O-CG2 3.3Å; V30-T34 WeakPolarHBondContact O-CG2 3.26Å; V30-T34 PolarHBondContact O-N 3.4Å; V30-T34 PolarHBondContact O-OG1 2.86Å |
| 31 | L | 95.6 | Very high | 93.3 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 177.8 | -71.7 | 168.6 | 0 | 0 | 0 | 112.4 | A27 A28 T34 G35 F139 V146 | A27-L31 WeakPolarHBondContact O-CG 3.45Å; A27-L31 PolarHBondContact O-N 3.08Å; A28-L31 PolarHBondContact O-N 3.27Å; L31-T34 WeakPolarHBondContact CA-OG1 3.38Å; L31-T34 PolarHBondContact O-N 3.25Å; L31-T34 PolarHBondContact O-OG1 3.12Å; L31-G35 PolarHBondContact O-N 2.88Å; L31-F139 HydrophobicContact CD2-CD1 3.76Å; L31-F139 HydrophobicContact CD2-CE1 4.32Å; L31-F139 WeakPolarHBondContact O-CB 3.48Å; L31-V146 HydrophobicContact CD1-CG2 4.15Å |
| 32 | F | 95.8 | Very high | 93.6 | Very high | 58 Ų | 58 | 57.3 Ų | 57.3 | 25% | 0.254 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 176.7 | -177.7 | -95.1 | 0 | 0 | 0 | 111.6 | A28 G29 V30 G35 W36 T64 F67 I140 | A28-F32 WeakPolarHBondContact O-CB 3.3Å; A28-F32 PolarHBondContact O-N 3.31Å; G29-F32 PolarHBondContact O-N 3.07Å; V30-F32 PolarHBondContact O-N 3.47Å; F32-G35 PolarHBondContact O-N 3.33Å; F32-W36 AromaticContact CE1-CD1 3.52Å; F32-W36 AromaticContact CE1-NE1 3.79Å; F32-W36 AromaticContact CE2-CD1 3.79Å; F32-W36 AromaticContact CE2-NE1 3.49Å; F32-W36 AromaticContact CZ-CD1 3.41Å; F32-W36 VanDerWaalsContact CZ-CD1 3.41Å; F32-W36 AromaticContact CZ-NE1 3.17Å; F32-W36 PolarHBondContact O-N 3.11Å; F32-T64 HydrophobicContact CE2-CG2 3.74Å; F32-T64 HydrophobicContact CZ-CG2 3.72Å; F32-F67 HydrophobicContact CD2-CD1 4.38Å; F32-F67 HydrophobicContact CD2-CE1 4.49Å; F32-F67 HydrophobicContact CD2-CG 4.42Å; F32-F67 HydrophobicContact CE2-CD1 4.37Å; F32-I140 HydrophobicContact CD2-CG1 4.07Å; F32-I140 HydrophobicContact CD2-CG2 4.29Å; F32-I140 HydrophobicContact CE2-CG1 4.33Å; F32-I140 HydrophobicContact CE2-CG2 4.39Å |
| 33 | F | 96.5 | Very high | 93.7 | Very high | 126 Ų | 126 | 55.4 Ų | 55.4 | 55% | 0.553 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.8 | -46.3 | 177.3 | 175.3 | -99.3 | 0 | 0 | 0 | 111.8 | G29 V30 G35 W36 W37 | G29-F33 VanDerWaalsContact O-CB 3.3Å; G29-F33 WeakPolarHBondContact O-CB 3.48Å; G29-F33 PolarHBondContact O-N 3.03Å; V30-F33 PolarHBondContact O-N 2.88Å; F33-G35 VanDerWaalsContact C-N 3.3Å; F33-G35 PolarHBondContact O-N 3.2Å; F33-W36 PolarHBondContact O-N 3.15Å; F33-W37 HydrophobicContact CE1-CB 4.44Å; F33-W37 HydrophobicContact CE1-CE3 4.35Å; F33-W37 HydrophobicContact CE2-CE3 4.28Å; F33-W37 HydrophobicContact CZ-CD2 4.28Å; F33-W37 AromaticContact CZ-CE3 3.67Å; F33-W37 HydrophobicContact CZ-CE3 3.67Å; F33-W37 HydrophobicContact CZ-CZ3 4.26Å; F33-W37 VanDerWaalsContact O-CB 3.3Å; F33-W37 WeakPolarHBondContact O-CB 3.48Å; F33-W37 PolarHBondContact O-N 3.19Å |
| 34 | T | 96.4 | Very high | 93.7 | Very high | 43 Ų | 43 | 55.1 Ų | 55.1 | 26% | 0.264 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 178.8 | 55.3 | 0 | 0 | 0 | 0 | 111.7 | V30 L31 W37 I38 | V30-T34 HydrophobicContact CG1-CG2 4.28Å; V30-T34 VanDerWaalsContact O-CG2 3.3Å; V30-T34 WeakPolarHBondContact O-CG2 3.26Å; V30-T34 PolarHBondContact O-N 3.4Å; V30-T34 PolarHBondContact O-OG1 2.86Å; L31-T34 WeakPolarHBondContact CA-OG1 3.38Å; L31-T34 PolarHBondContact O-N 3.25Å; L31-T34 PolarHBondContact O-OG1 3.12Å; T34-W37 PolarHBondContact O-N 3.2Å; T34-I38 WeakPolarHBondContact O-CD1 3.39Å; T34-I38 VanDerWaalsContact O-CG1 3.26Å; T34-I38 WeakPolarHBondContact O-CG1 3.45Å; T34-I38 PolarHBondContact O-N 3.13Å |
| 35 | G | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.4 | -48.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L31 F32 F33 I39 Q136 | L31-G35 PolarHBondContact O-N 2.88Å; F32-G35 PolarHBondContact O-N 3.33Å; F33-G35 VanDerWaalsContact C-N 3.3Å; F33-G35 PolarHBondContact O-N 3.2Å; G35-I39 PolarHBondContact O-N 3.26Å; G35-Q136 WeakPolarHBondContact O-CB 3.33Å; G35-Q136 WeakPolarHBondContact O-CG 3.34Å |
| 36 | W | 95.2 | Very high | 93.6 | Very high | 70 Ų | 70 | 58.7 Ų | 58.7 | 27% | 0.265 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.3 | -32.5 | 177.4 | -81.9 | 102.9 | 0 | 0 | 0 | 113.5 | F32 F33 I39 I40 V61 T64 | F32-W36 AromaticContact CE1-CD1 3.52Å; F32-W36 AromaticContact CE1-NE1 3.79Å; F32-W36 AromaticContact CE2-CD1 3.79Å; F32-W36 AromaticContact CE2-NE1 3.49Å; F32-W36 AromaticContact CZ-CD1 3.41Å; F32-W36 VanDerWaalsContact CZ-CD1 3.41Å; F32-W36 AromaticContact CZ-NE1 3.17Å; F32-W36 PolarHBondContact O-N 3.11Å; F33-W36 PolarHBondContact O-N 3.15Å; W36-I39 HydrophobicContact CE3-CG2 3.76Å; W36-I39 HydrophobicContact CZ3-CG2 4.26Å; W36-I39 WeakPolarHBondContact O-CG2 3.28Å; W36-I40 WeakPolarHBondContact O-CD1 3.37Å; W36-I40 VanDerWaalsContact O-CG1 3.24Å; W36-I40 WeakPolarHBondContact O-CG1 3.41Å; W36-I40 PolarHBondContact O-N 3.17Å; W36-V61 HydrophobicContact CH2-CG2 4.05Å; W36-T64 HydrophobicContact CZ2-CG2 4.44Å; W36-T64 WeakPolarHBondContact CZ2-OG1 3.25Å; W36-T64 PolarHBondContact NE1-OG1 3.36Å; W36-T64 VanDerWaalsContact NE1-OG1 3.12Å |
| 37 | W | 95.2 | Very high | 93.1 | Very high | 153 Ų | 153 | 58 Ų | 58 | 58% | 0.58 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.4 | -46 | 175.9 | -174.8 | -94.7 | 0 | 0 | 0 | 111.8 | F33 T34 I39 I40 D41 | F33-W37 HydrophobicContact CE1-CB 4.44Å; F33-W37 HydrophobicContact CE1-CE3 4.35Å; F33-W37 HydrophobicContact CE2-CE3 4.28Å; F33-W37 HydrophobicContact CZ-CD2 4.28Å; F33-W37 AromaticContact CZ-CE3 3.67Å; F33-W37 HydrophobicContact CZ-CE3 3.67Å; F33-W37 HydrophobicContact CZ-CZ3 4.26Å; F33-W37 VanDerWaalsContact O-CB 3.3Å; F33-W37 WeakPolarHBondContact O-CB 3.48Å; F33-W37 PolarHBondContact O-N 3.19Å; T34-W37 PolarHBondContact O-N 3.2Å; W37-I39 VanDerWaalsContact C-N 3.34Å; W37-I39 PolarHBondContact O-N 2.91Å; W37-I40 PolarHBondContact O-N 3.02Å; W37-D41 PolarHBondContact O-N 3.02Å |
| 38 | I | 94.1 | Very high | 92.7 | Very high | 41 Ų | 41 | 59.7 Ų | 59.7 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.1 | -39.9 | -178.9 | -71 | 165.3 | 0 | 0 | 0 | 111.9 | T34 A42 A132 F135 F139 | T34-I38 WeakPolarHBondContact O-CD1 3.39Å; T34-I38 VanDerWaalsContact O-CG1 3.26Å; T34-I38 WeakPolarHBondContact O-CG1 3.45Å; T34-I38 PolarHBondContact O-N 3.13Å; I38-A42 PolarHBondContact O-N 3.02Å; I38-A42 VanDerWaalsContact O-N 3.08Å; I38-A132 HydrophobicContact CG2-CB 3.74Å; I38-F135 HydrophobicContact CD1-CB 4.4Å; I38-F139 HydrophobicContact CD1-CD2 3.79Å; I38-F139 HydrophobicContact CD1-CE2 3.43Å; I38-F139 VanDerWaalsContact CD1-CE2 3.43Å |
| 39 | I | 93.1 | Very high | 92 | Very high | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.015 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72.4 | -33.7 | 179.3 | -163.9 | 64.7 | 0 | 0 | 0 | 112.2 | G35 W36 W37 A42 A43 F52 V133 Q136 | G35-I39 PolarHBondContact O-N 3.26Å; W36-I39 HydrophobicContact CE3-CG2 3.76Å; W36-I39 HydrophobicContact CZ3-CG2 4.26Å; W36-I39 WeakPolarHBondContact O-CG2 3.28Å; W37-I39 VanDerWaalsContact C-N 3.34Å; W37-I39 PolarHBondContact O-N 2.91Å; I39-A42 PolarHBondContact O-N 2.89Å; I39-A43 WeakPolarHBondContact O-CB 3.3Å; I39-A43 PolarHBondContact O-N 2.95Å; I39-F52 HydrophobicContact CD1-CE2 4.4Å; I39-F52 HydrophobicContact CD1-CZ 3.77Å; I39-V133 HydrophobicContact CD1-CG2 3.78Å; I39-Q136 HydrophobicContact CB-CB 4.42Å; I39-Q136 HydrophobicContact CB-CG 4.36Å; I39-Q136 VanDerWaalsContact CG1-OE1 3.28Å; I39-Q136 HydrophobicContact CG2-CG 4.43Å |
| 40 | I | 92.9 | Very high | 91.2 | Very high | 96 Ų | 96 | 71.1 Ų | 71.1 | 49% | 0.492 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.4 | -45.1 | 176.5 | -69.4 | 166.5 | 0 | 0 | 0 | 109.5 | W36 W37 A42 A43 V44 | W36-I40 WeakPolarHBondContact O-CD1 3.37Å; W36-I40 VanDerWaalsContact O-CG1 3.24Å; W36-I40 WeakPolarHBondContact O-CG1 3.41Å; W36-I40 PolarHBondContact O-N 3.17Å; W37-I40 PolarHBondContact O-N 3.02Å; I40-A42 PolarHBondContact O-N 3.44Å; I40-A43 PolarHBondContact O-N 3.12Å; I40-V44 HydrophobicContact CG2-CG2 4.47Å; I40-V44 WeakPolarHBondContact O-CG2 3.42Å; I40-V44 PolarHBondContact O-N 3.45Å |
| 41 | D | 93.6 | Very high | 90.3 | Very high | 58 Ų | 58 | 69.7 Ų | 69.7 | 31% | 0.31 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -55.6 | -49.7 | 174 | 176.6 | 79.8 | 0 | 0 | 0 | 111.6 | W37 A43 V44 I45 Y128 | W37-D41 PolarHBondContact O-N 3.02Å; D41-A43 VanDerWaalsContact C-N 3.34Å; D41-A43 PolarHBondContact O-N 2.87Å; D41-V44 PolarHBondContact O-N 3.2Å; D41-I45 WeakPolarHBondContact O-CG1 3.23Å; D41-I45 PolarHBondContact O-N 3.45Å; D41-I45 VanDerWaalsContact O-N 3.09Å; D41-Y128 PolarHBondContact OD2-OH 3.23Å |
| 42 | A | 91 | Very high | 89.7 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I38 I39 I40 V44 I45 Y46 Y128 A132 | I38-A42 PolarHBondContact O-N 3.02Å; I38-A42 VanDerWaalsContact O-N 3.08Å; I39-A42 PolarHBondContact O-N 2.89Å; I40-A42 PolarHBondContact O-N 3.44Å; A42-V44 VanDerWaalsContact C-N 3.34Å; A42-I45 PolarHBondContact O-N 2.91Å; A42-Y46 WeakPolarHBondContact O-CD2 3.48Å; A42-Y46 PolarHBondContact O-N 3.02Å; A42-Y128 HydrophobicContact CB-CD1 4.24Å; A42-Y128 HydrophobicContact CB-CE1 3.93Å; A42-A132 HydrophobicContact CB-CB 3.55Å |
| 43 | A | 89.7 | Confident | 89.2 | Confident | 32 Ų | 32 | 67.9 Ų | 67.9 | 26% | 0.264 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.7 | -31.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I39 I40 D41 F52 | I39-A43 WeakPolarHBondContact O-CB 3.3Å; I39-A43 PolarHBondContact O-N 2.95Å; I40-A43 PolarHBondContact O-N 3.12Å; D41-A43 VanDerWaalsContact C-N 3.34Å; D41-A43 PolarHBondContact O-N 2.87Å; A43-F52 HydrophobicContact CB-CE1 4.39Å |
| 44 | V | 90.9 | Very high | 88.5 | Confident | 111 Ų | 111 | 66.6 Ų | 66.6 | 67% | 0.673 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -73.7 | -40.5 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | I40 D41 A42 | I40-V44 HydrophobicContact CG2-CG2 4.47Å; I40-V44 WeakPolarHBondContact O-CG2 3.42Å; I40-V44 PolarHBondContact O-N 3.45Å; D41-V44 PolarHBondContact O-N 3.2Å; A42-V44 VanDerWaalsContact C-N 3.34Å |
| 45 | I | 90.4 | Very high | 88.1 | Confident | 84 Ų | 84 | 68.5 Ų | 68.5 | 43% | 0.431 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -72.9 | -36 | -179.7 | -62.1 | 167.9 | 0 | 0 | 0 | 111.3 | D41 A42 P47 Y128 | D41-I45 WeakPolarHBondContact O-CG1 3.23Å; D41-I45 PolarHBondContact O-N 3.45Å; D41-I45 VanDerWaalsContact O-N 3.09Å; A42-I45 PolarHBondContact O-N 2.91Å; I45-P47 VanDerWaalsContact C-CD 3.44Å; I45-P47 VanDerWaalsContact O-CD 3.26Å; I45-P47 WeakPolarHBondContact O-CD 3.5Å; I45-Y128 HydrophobicContact CD1-CE1 4.44Å |
| 46 | Y | 87.9 | Confident | 87.7 | Confident | 48 Ų | 48 | 71.1 Ų | 71.1 | 19% | 0.188 | 36% | 0.363 | C | S | . | . | trans | -121.1 | 72.1 | -175.7 | -55.6 | -73.6 | 0 | 0 | 0 | 112.1 | A42 T48 D51 I126 Y128 P129 | A42-Y46 WeakPolarHBondContact O-CD2 3.48Å; A42-Y46 PolarHBondContact O-N 3.02Å; Y46-T48 PolarHBondContact O-N 3.39Å; Y46-D51 HydrophobicContact CD1-CB 4.32Å; Y46-I126 HydrophobicContact CD1-CD1 4.48Å; Y46-I126 HydrophobicContact CD1-CG2 4.16Å; Y46-I126 HydrophobicContact CE1-CD1 3.93Å; Y46-I126 HydrophobicContact CE1-CG1 4.48Å; Y46-I126 HydrophobicContact CE1-CG2 3.44Å; Y46-I126 VanDerWaalsContact CE1-CG2 3.44Å; Y46-I126 HydrophobicContact CE2-CG2 4.24Å; Y46-I126 VanDerWaalsContact CZ-CG2 3.45Å; Y46-I126 WeakPolarHBondContact OH-CG2 3.32Å; Y46-Y128 HydrophobicContact CD2-CD1 4.32Å; Y46-Y128 AromaticContact CE2-CD1 3.62Å; Y46-Y128 HydrophobicContact CE2-CD1 3.62Å; Y46-Y128 HydrophobicContact CE2-CE1 4.43Å; Y46-Y128 HydrophobicContact CE2-CG 4.3Å; Y46-P129 HydrophobicContact CD2-CG 3.66Å; Y46-P129 HydrophobicContact CE2-CG 4.07Å; Y46-P129 HydrophobicContact CG-CG 3.95Å | ||
| 47 | P | 82.9 | Confident | 87.5 | Confident | 91 Ų | 91 | 70.4 Ų | 70.4 | 59% | 0.591 | 36% | 0.362 | S | S | * | . | trans | -74.8 | -10.9 | -177.7 | 31.4 | -36.8 | 0 | 0 | 0 | 113.6 | I45 | I45-P47 VanDerWaalsContact C-CD 3.44Å; I45-P47 VanDerWaalsContact O-CD 3.26Å; I45-P47 WeakPolarHBondContact O-CD 3.5Å | ||
| 48 | T | 84.6 | Confident | 87.3 | Confident | 72 Ų | 72 | 65.6 Ų | 65.6 | 44% | 0.442 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -86.8 | 127.6 | -175.9 | 34.6 | 0 | 0 | 0 | 0 | 112.1 | Y46 K50 D51 F52 | Y46-T48 PolarHBondContact O-N 3.39Å; T48-K50 PolarHBondContact O-N 3.43Å; T48-D51 PolarHBondContact O-N 2.95Å; T48-D51 PolarHBondContact OG1-OD2 3.03Å; T48-F52 PolarHBondContact O-N 3.46Å |
| 49 | M | 80.4 | Confident | 87.2 | Confident | 103 Ų | 103 | 64.1 Ų | 64.1 | 51% | 0.507 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -20.2 | 177.8 | -80.1 | -72.5 | -114.7 | 0 | 0 | 115.4 | F52 H54 | M49-F52 WeakPolarHBondContact CA-O 3.38Å; M49-H54 HydrophobicContact CE-CB 4.03Å; M49-H54 WeakPolarHBondContact CE-ND1 3.39Å; M49-H54 HydrophobicContact SD-CB 3.84Å; M49-H54 VanDerWaalsContact SD-CE1 3.55Å; M49-H54 PolarHBondContact SD-N 3.47Å; M49-H54 PolarHBondContact SD-ND1 3.18Å |
| 50 | K | 76.1 | Confident | 87.2 | Confident | 180 Ų | 180 | 64 Ų | 64 | 78% | 0.783 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -37.9 | 176.5 | -68 | -175.4 | 178.2 | -179.4 | 0 | 111.9 | T48 K124 | T48-K50 PolarHBondContact O-N 3.43Å; K50-K124 PolarHBondContact O-NZ 2.98Å |
| 51 | D | 78.6 | Confident | 87.3 | Confident | 54 Ų | 54 | 62.7 Ų | 62.7 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -38.2 | -174.4 | -54.3 | -48.7 | 0 | 0 | 0 | 110.1 | Y46 T48 Y119 | Y46-D51 HydrophobicContact CD1-CB 4.32Å; T48-D51 PolarHBondContact O-N 2.95Å; T48-D51 PolarHBondContact OG1-OD2 3.03Å; D51-Y119 WeakPolarHBondContact O-CE1 3.06Å; D51-Y119 PolarHBondContact O-OH 2.91Å |
| 52 | F | 83 | Confident | 87.4 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 1% | 0.013 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -137.7 | 112.2 | 177.9 | -175 | -126.1 | 0 | 0 | 0 | 112 | I39 A43 T48 M49 Y56 H57 P129 V133 | I39-F52 HydrophobicContact CD1-CE2 4.4Å; I39-F52 HydrophobicContact CD1-CZ 3.77Å; A43-F52 HydrophobicContact CB-CE1 4.39Å; T48-F52 PolarHBondContact O-N 3.46Å; M49-F52 WeakPolarHBondContact CA-O 3.38Å; F52-Y56 HydrophobicContact CD2-CD2 4.18Å; F52-Y56 HydrophobicContact CE2-CD2 4.17Å; F52-H57 AromaticContact CE1-CD2 3.98Å; F52-H57 AromaticContact CE1-CE1 3.3Å; F52-H57 WeakPolarHBondContact CE1-CE1 3.35Å; F52-H57 AromaticContact CE1-NE2 3.22Å; F52-H57 WeakPolarHBondContact CE1-NE2 3.4Å; F52-H57 AromaticContact CZ-CE1 3.62Å; F52-H57 AromaticContact CZ-ND1 3.93Å; F52-H57 AromaticContact CZ-NE2 3.83Å; F52-P129 HydrophobicContact CB-CB 4.2Å; F52-P129 HydrophobicContact CB-CG 4.46Å; F52-P129 HydrophobicContact CD2-CB 3.58Å; F52-P129 HydrophobicContact CE2-CB 4.31Å; F52-P129 HydrophobicContact CG-CB 4.13Å; F52-V133 HydrophobicContact CE2-CG2 3.69Å; F52-V133 HydrophobicContact CZ-CG2 4.22Å |
| 53 | N | 85.3 | Confident | 87.6 | Confident | 57 Ų | 57 | 63.5 Ų | 63.5 | 31% | 0.305 | 35% | 0.348 | S | S | . | . | trans | -79.3 | 124.5 | -179.6 | -170.7 | -29.9 | 0 | 0 | 0 | 109.9 | S55 Y56 | N53-S55 PolarHBondContact O-N 2.87Å; N53-S55 WeakPolarHBondContact OD1-CB 3.4Å; N53-S55 PolarHBondContact OD1-N 3.21Å; N53-S55 PolarHBondContact OD1-OG 3.42Å; N53-Y56 HydrophobicContact CB-CD2 3.89Å; N53-Y56 HydrophobicContact CB-CE2 3.73Å; N53-Y56 HydrophobicContact CB-CG 4.36Å; N53-Y56 WeakPolarHBondContact O-CB 3.49Å; N53-Y56 PolarHBondContact O-N 3.38Å | ||
| 54 | H | 83.3 | Confident | 87.9 | Confident | 99 Ų | 99 | 63 Ų | 63 | 46% | 0.458 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -54.8 | -25.9 | 179 | -62.5 | 148 | 0 | 0 | 0 | 113.5 | M49 Y56 H57 | M49-H54 HydrophobicContact CE-CB 4.03Å; M49-H54 WeakPolarHBondContact CE-ND1 3.39Å; M49-H54 HydrophobicContact SD-CB 3.84Å; M49-H54 VanDerWaalsContact SD-CE1 3.55Å; M49-H54 PolarHBondContact SD-N 3.47Å; M49-H54 PolarHBondContact SD-ND1 3.18Å; H54-Y56 PolarHBondContact O-N 2.92Å; H54-H57 WeakPolarHBondContact O-CB 3.43Å; H54-H57 PolarHBondContact O-CD2 3.26Å; H54-H57 PolarHBondContact O-N 2.9Å |
| 55 | S | 86.6 | Confident | 88.2 | Confident | 83 Ų | 83 | 61.7 Ų | 61.7 | 58% | 0.58 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -60.7 | -24.5 | 175 | -61.4 | 0 | 0 | 0 | 0 | 113.3 | N53 H57 A58 | N53-S55 PolarHBondContact O-N 2.87Å; N53-S55 WeakPolarHBondContact OD1-CB 3.4Å; N53-S55 PolarHBondContact OD1-N 3.21Å; N53-S55 PolarHBondContact OD1-OG 3.42Å; S55-H57 PolarHBondContact O-N 3.25Å; S55-A58 VanDerWaalsContact O-CB 3.3Å; S55-A58 WeakPolarHBondContact O-CB 3.26Å; S55-A58 PolarHBondContact O-N 3.07Å |
| 56 | Y | 88 | Confident | 88.4 | Confident | 56 Ų | 56 | 57.7 Ų | 57.7 | 22% | 0.22 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -70.2 | -20.7 | 179.4 | -60.4 | -29.4 | 0 | 0 | 0 | 113.2 | F52 N53 H54 A58 C59 I114 Y119 | F52-Y56 HydrophobicContact CD2-CD2 4.18Å; F52-Y56 HydrophobicContact CE2-CD2 4.17Å; N53-Y56 HydrophobicContact CB-CD2 3.89Å; N53-Y56 HydrophobicContact CB-CE2 3.73Å; N53-Y56 HydrophobicContact CB-CG 4.36Å; N53-Y56 WeakPolarHBondContact O-CB 3.49Å; N53-Y56 PolarHBondContact O-N 3.38Å; H54-Y56 PolarHBondContact O-N 2.92Å; Y56-A58 PolarHBondContact O-N 3.39Å; Y56-C59 WeakPolarHBondContact O-CB 3.21Å; Y56-C59 PolarHBondContact O-N 2.77Å; Y56-I114 HydrophobicContact CD1-CD1 3.59Å; Y56-I114 HydrophobicContact CD1-CG1 3.85Å; Y56-I114 HydrophobicContact CD1-CG2 4.04Å; Y56-I114 HydrophobicContact CD2-CG2 3.97Å; Y56-I114 HydrophobicContact CE1-CD1 4.2Å; Y56-I114 HydrophobicContact CE1-CG1 3.94Å; Y56-I114 HydrophobicContact CE1-CG2 4.13Å; Y56-I114 HydrophobicContact CE2-CG2 4.05Å; Y56-I114 HydrophobicContact CG-CD1 4.13Å; Y56-I114 HydrophobicContact CG-CG2 3.97Å; Y56-Y119 HydrophobicContact CD2-CE2 4.32Å; Y56-Y119 AromaticContact CE2-CE2 3.9Å; Y56-Y119 HydrophobicContact CE2-CE2 3.9Å |
| 57 | H | 89.2 | Confident | 88.8 | Confident | 54 Ų | 54 | 56.9 Ų | 56.9 | 25% | 0.25 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.6 | -28.7 | 171.7 | -69.7 | -63.2 | 0 | 0 | 0 | 113.2 | F52 H54 S55 C59 G60 V61 | F52-H57 AromaticContact CE1-CD2 3.98Å; F52-H57 AromaticContact CE1-CE1 3.3Å; F52-H57 WeakPolarHBondContact CE1-CE1 3.35Å; F52-H57 AromaticContact CE1-NE2 3.22Å; F52-H57 WeakPolarHBondContact CE1-NE2 3.4Å; F52-H57 AromaticContact CZ-CE1 3.62Å; F52-H57 AromaticContact CZ-ND1 3.93Å; F52-H57 AromaticContact CZ-NE2 3.83Å; H54-H57 WeakPolarHBondContact O-CB 3.43Å; H54-H57 PolarHBondContact O-CD2 3.26Å; H54-H57 PolarHBondContact O-N 2.9Å; S55-H57 PolarHBondContact O-N 3.25Å; H57-C59 PolarHBondContact O-N 3.16Å; H57-G60 PolarHBondContact O-N 3.07Å; H57-G60 VanDerWaalsContact O-N 3.15Å; H57-V61 WeakPolarHBondContact O-CG2 3.47Å; H57-V61 PolarHBondContact O-N 3.39Å; H57-V61 VanDerWaalsContact O-N 3.11Å |
| 58 | A | 91.1 | Very high | 89.3 | Confident | 52 Ų | 52 | 57.6 Ų | 57.6 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.7 | -33.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S55 Y56 V61 I62 | S55-A58 VanDerWaalsContact O-CB 3.3Å; S55-A58 WeakPolarHBondContact O-CB 3.26Å; S55-A58 PolarHBondContact O-N 3.07Å; Y56-A58 PolarHBondContact O-N 3.39Å; A58-V61 PolarHBondContact O-N 3.39Å; A58-I62 VanDerWaalsContact O-CG1 3.25Å; A58-I62 WeakPolarHBondContact O-CG1 3.45Å; A58-I62 PolarHBondContact O-N 3Å |
| 59 | C | 93 | Very high | 89.7 | Confident | 11 Ų | 11 | 55.1 Ų | 55.1 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.7 | -49.7 | 177.7 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | Y56 H57 V61 I62 A63 S107 I114 V133 N137 | Y56-C59 WeakPolarHBondContact O-CB 3.21Å; Y56-C59 PolarHBondContact O-N 2.77Å; H57-C59 PolarHBondContact O-N 3.16Å; C59-V61 PolarHBondContact O-N 2.87Å; C59-I62 PolarHBondContact O-N 3.49Å; C59-A63 PolarHBondContact O-N 3.26Å; C59-S107 PolarHBondContact SG-O 3.18Å; C59-I114 HydrophobicContact CB-CD1 4.33Å; C59-V133 HydrophobicContact CB-CG1 4.44Å; C59-N137 PolarHBondContact O-OD1 3.23Å; C59-N137 PolarHBondContact SG-ND2 3.44Å; C59-N137 VanDerWaalsContact SG-ND2 3.39Å; C59-N137 PolarHBondContact SG-OD1 3.43Å; C59-N137 VanDerWaalsContact SG-OD1 3.35Å |
| 60 | G | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.7 | -33.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | H57 A63 T64 | H57-G60 PolarHBondContact O-N 3.07Å; H57-G60 VanDerWaalsContact O-N 3.15Å; G60-A63 PolarHBondContact O-N 3Å; G60-T64 PolarHBondContact O-N 3.41Å; G60-T64 PolarHBondContact O-OG1 3.09Å |
| 61 | V | 95.1 | Very high | 90.8 | Very high | 68 Ų | 68 | 42.5 Ų | 42.5 | 41% | 0.412 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.3 | -46.1 | 173.6 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | W36 H57 A58 C59 A63 T64 I65 | W36-V61 HydrophobicContact CH2-CG2 4.05Å; H57-V61 WeakPolarHBondContact O-CG2 3.47Å; H57-V61 PolarHBondContact O-N 3.39Å; H57-V61 VanDerWaalsContact O-N 3.11Å; A58-V61 PolarHBondContact O-N 3.39Å; C59-V61 PolarHBondContact O-N 2.87Å; V61-A63 VanDerWaalsContact C-N 3.31Å; V61-A63 PolarHBondContact O-N 3.41Å; V61-T64 WeakPolarHBondContact O-CB 3.46Å; V61-T64 PolarHBondContact O-N 3.02Å; V61-T64 VanDerWaalsContact O-N 3.09Å; V61-I65 HydrophobicContact CG1-CD1 4.17Å; V61-I65 WeakPolarHBondContact O-CG1 3.13Å; V61-I65 PolarHBondContact O-N 3.04Å |
| 62 | I | 95.3 | Very high | 91.3 | Very high | 71 Ų | 71 | 43.8 Ų | 43.8 | 36% | 0.364 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61 | -42 | 176.7 | -68.1 | 165.4 | 0 | 0 | 0 | 110.5 | A58 C59 T64 I65 A66 L103 | A58-I62 VanDerWaalsContact O-CG1 3.25Å; A58-I62 WeakPolarHBondContact O-CG1 3.45Å; A58-I62 PolarHBondContact O-N 3Å; C59-I62 PolarHBondContact O-N 3.49Å; I62-T64 VanDerWaalsContact C-N 3.26Å; I62-T64 PolarHBondContact O-N 3.31Å; I62-I65 PolarHBondContact O-N 3.35Å; I62-A66 WeakPolarHBondContact O-CB 3.36Å; I62-A66 PolarHBondContact O-N 3.43Å; I62-L103 HydrophobicContact CG2-CB 4.21Å; I62-L103 HydrophobicContact CG2-CD2 4.1Å |
| 63 | A | 95.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.9 | -38.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C59 G60 V61 A66 F67 S107 N137 I140 | C59-A63 PolarHBondContact O-N 3.26Å; G60-A63 PolarHBondContact O-N 3Å; V61-A63 VanDerWaalsContact C-N 3.31Å; V61-A63 PolarHBondContact O-N 3.41Å; A63-A66 WeakPolarHBondContact O-CB 3.42Å; A63-A66 PolarHBondContact O-N 3.42Å; A63-F67 WeakPolarHBondContact O-CB 3.46Å; A63-F67 PolarHBondContact O-N 2.94Å; A63-S107 WeakPolarHBondContact CB-OG 3.4Å; A63-N137 WeakPolarHBondContact CB-OD1 3.15Å; A63-I140 HydrophobicContact CB-CB 4.35Å; A63-I140 HydrophobicContact CB-CD1 4.44Å; A63-I140 HydrophobicContact CB-CG2 3.94Å; A63-I140 WeakPolarHBondContact O-CG2 3.38Å |
| 64 | T | 96 | Very high | 91 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 13% | 0.129 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.1 | -40.5 | 177.9 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | F32 W36 G60 V61 I62 A66 F67 L68 | F32-T64 HydrophobicContact CE2-CG2 3.74Å; F32-T64 HydrophobicContact CZ-CG2 3.72Å; W36-T64 HydrophobicContact CZ2-CG2 4.44Å; W36-T64 WeakPolarHBondContact CZ2-OG1 3.25Å; W36-T64 PolarHBondContact NE1-OG1 3.36Å; W36-T64 VanDerWaalsContact NE1-OG1 3.12Å; G60-T64 PolarHBondContact O-N 3.41Å; G60-T64 PolarHBondContact O-OG1 3.09Å; V61-T64 WeakPolarHBondContact O-CB 3.46Å; V61-T64 PolarHBondContact O-N 3.02Å; V61-T64 VanDerWaalsContact O-N 3.09Å; I62-T64 VanDerWaalsContact C-N 3.26Å; I62-T64 PolarHBondContact O-N 3.31Å; T64-A66 VanDerWaalsContact C-N 3.31Å; T64-A66 PolarHBondContact O-N 3.49Å; T64-F67 WeakPolarHBondContact O-CB 3.25Å; T64-F67 PolarHBondContact O-N 2.95Å; T64-L68 WeakPolarHBondContact O-CG 3.43Å; T64-L68 PolarHBondContact O-N 3.26Å |
| 65 | I | 96.2 | Very high | 90.6 | Very high | 84 Ų | 84 | 39.7 Ų | 39.7 | 43% | 0.431 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 173 | -66.6 | 168.3 | 0 | 0 | 0 | 109.4 | V61 I62 F67 L68 M69 | V61-I65 HydrophobicContact CG1-CD1 4.17Å; V61-I65 WeakPolarHBondContact O-CG1 3.13Å; V61-I65 PolarHBondContact O-N 3.04Å; I62-I65 PolarHBondContact O-N 3.35Å; I65-F67 VanDerWaalsContact C-N 3.34Å; I65-F67 PolarHBondContact O-N 3.33Å; I65-L68 PolarHBondContact O-N 3.47Å; I65-M69 HydrophobicContact CG2-CG 4.28Å; I65-M69 HydrophobicContact CG2-SD 3.93Å; I65-M69 VanDerWaalsContact O-CG 3.3Å; I65-M69 WeakPolarHBondContact O-CG 3.36Å; I65-M69 PolarHBondContact O-N 2.89Å |
| 66 | A | 95.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.6 | -43.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | I62 A63 T64 L68 M69 I70 G100 L103 A104 | I62-A66 WeakPolarHBondContact O-CB 3.36Å; I62-A66 PolarHBondContact O-N 3.43Å; A63-A66 WeakPolarHBondContact O-CB 3.42Å; A63-A66 PolarHBondContact O-N 3.42Å; T64-A66 VanDerWaalsContact C-N 3.31Å; T64-A66 PolarHBondContact O-N 3.49Å; A66-L68 VanDerWaalsContact C-N 3.35Å; A66-L68 PolarHBondContact O-N 3.35Å; A66-M69 PolarHBondContact O-N 3.5Å; A66-I70 VanDerWaalsContact O-CG1 3.28Å; A66-I70 WeakPolarHBondContact O-CG1 3.42Å; A66-I70 PolarHBondContact O-N 3.44Å; A66-G100 WeakPolarHBondContact CB-O 3.36Å; A66-L103 HydrophobicContact CB-CB 3.72Å; A66-A104 HydrophobicContact CB-CB 3.82Å |
| 67 | F | 94.7 | Very high | 89 | Confident | 32 Ų | 32 | 37.3 Ų | 37.3 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.9 | -48.7 | 173.5 | 170.8 | -85.6 | 0 | 0 | 0 | 111.5 | F32 A63 T64 I65 N71 I140 G144 | F32-F67 HydrophobicContact CD2-CD1 4.38Å; F32-F67 HydrophobicContact CD2-CE1 4.49Å; F32-F67 HydrophobicContact CD2-CG 4.42Å; F32-F67 HydrophobicContact CE2-CD1 4.37Å; A63-F67 WeakPolarHBondContact O-CB 3.46Å; A63-F67 PolarHBondContact O-N 2.94Å; T64-F67 WeakPolarHBondContact O-CB 3.25Å; T64-F67 PolarHBondContact O-N 2.95Å; I65-F67 VanDerWaalsContact C-N 3.34Å; I65-F67 PolarHBondContact O-N 3.33Å; F67-N71 WeakPolarHBondContact CD2-ND2 3.2Å; F67-N71 WeakPolarHBondContact CE2-ND2 3.23Å; F67-N71 VanDerWaalsContact O-CB 3.31Å; F67-N71 WeakPolarHBondContact O-CB 3.23Å; F67-N71 PolarHBondContact O-N 2.93Å; F67-N71 VanDerWaalsContact O-N 3.16Å; F67-N71 PolarHBondContact O-ND2 2.83Å; F67-I140 HydrophobicContact CB-CG2 3.93Å; F67-G144 VanDerWaalsContact CE2-CA 3.45Å |
| 68 | L | 93.6 | Very high | 88 | Confident | 105 Ų | 105 | 36.6 Ų | 36.6 | 55% | 0.55 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 178.5 | -67.3 | 175.6 | 0 | 0 | 0 | 111.5 | T64 I65 A66 I70 N71 A72 | T64-L68 WeakPolarHBondContact O-CG 3.43Å; T64-L68 PolarHBondContact O-N 3.26Å; I65-L68 PolarHBondContact O-N 3.47Å; A66-L68 VanDerWaalsContact C-N 3.35Å; A66-L68 PolarHBondContact O-N 3.35Å; L68-I70 PolarHBondContact O-N 3.02Å; L68-N71 PolarHBondContact O-N 3.38Å; L68-A72 WeakPolarHBondContact O-CB 3.26Å; L68-A72 PolarHBondContact O-N 3.29Å |
| 69 | M | 92.6 | Very high | 86.8 | Confident | 20 Ų | 20 | 42.7 Ų | 42.7 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 179.8 | -72 | 179.6 | 72.3 | 0 | 0 | 112.6 | I65 A66 W96 I99 L103 | I65-M69 HydrophobicContact CG2-CG 4.28Å; I65-M69 HydrophobicContact CG2-SD 3.93Å; I65-M69 VanDerWaalsContact O-CG 3.3Å; I65-M69 WeakPolarHBondContact O-CG 3.36Å; I65-M69 PolarHBondContact O-N 2.89Å; A66-M69 PolarHBondContact O-N 3.5Å; M69-W96 HydrophobicContact CE-CD2 3.85Å; M69-W96 HydrophobicContact CE-CE3 4.13Å; M69-W96 HydrophobicContact CE-CG 4.38Å; M69-W96 HydrophobicContact CE-CH2 4.15Å; M69-W96 HydrophobicContact CE-CZ2 3.87Å; M69-W96 HydrophobicContact CE-CZ3 4.27Å; M69-W96 HydrophobicContact CG-CZ2 3.77Å; M69-W96 PolarHBondContact O-NE1 2.96Å; M69-W96 HydrophobicContact SD-CZ2 4.45Å; M69-I99 HydrophobicContact CE-CB 4.12Å; M69-I99 HydrophobicContact CE-CG2 3.77Å; M69-L103 HydrophobicContact SD-CD1 3.76Å |
| 70 | I | 91.4 | Very high | 85.4 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.6 | -41.7 | -179.1 | -67.2 | 165.3 | 0 | 0 | 0 | 110.8 | A66 L68 F101 A104 K148 | A66-I70 VanDerWaalsContact O-CG1 3.28Å; A66-I70 WeakPolarHBondContact O-CG1 3.42Å; A66-I70 PolarHBondContact O-N 3.44Å; L68-I70 PolarHBondContact O-N 3.02Å; I70-F101 HydrophobicContact CD1-CD1 3.88Å; I70-F101 HydrophobicContact CD1-CE1 4.02Å; I70-F101 HydrophobicContact CD1-CG 4.18Å; I70-F101 HydrophobicContact CD1-CZ 4.43Å; I70-F101 HydrophobicContact CG1-CD2 4.45Å; I70-F101 HydrophobicContact CG1-CE2 4.5Å; I70-F101 HydrophobicContact CG1-CG 4.48Å; I70-F101 HydrophobicContact CG2-CE1 4.47Å; I70-F101 HydrophobicContact CG2-CE2 4.25Å; I70-F101 HydrophobicContact CG2-CZ 3.97Å; I70-A104 HydrophobicContact CD1-CB 3.95Å; I70-K148 HydrophobicContact CG2-CB 4.11Å; I70-K148 HydrophobicContact CG2-CD 3.99Å; I70-K148 HydrophobicContact CG2-CG 3.85Å; I70-K148 WeakPolarHBondContact O-CE 3.33Å; I70-K148 PolarHBondContact O-NZ 3.34Å; I70-K148 VanDerWaalsContact O-NZ 3.11Å |
| 71 | N | 90.1 | Very high | 83.8 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -86.5 | -20.9 | -172.2 | -69.5 | -52.8 | 0 | 0 | 0 | 114.3 | F67 L68 V73 G144 F147 K148 R151 | F67-N71 WeakPolarHBondContact CD2-ND2 3.2Å; F67-N71 WeakPolarHBondContact CE2-ND2 3.23Å; F67-N71 VanDerWaalsContact O-CB 3.31Å; F67-N71 WeakPolarHBondContact O-CB 3.23Å; F67-N71 PolarHBondContact O-N 2.93Å; F67-N71 VanDerWaalsContact O-N 3.16Å; F67-N71 PolarHBondContact O-ND2 2.83Å; L68-N71 PolarHBondContact O-N 3.38Å; N71-V73 VanDerWaalsContact C-N 3.35Å; N71-G144 PolarHBondContact OD1-O 3.43Å; N71-F147 HydrophobicContact CB-CD1 3.66Å; N71-F147 HydrophobicContact CB-CE1 4.06Å; N71-F147 VanDerWaalsContact CG-CD1 3.49Å; N71-F147 VanDerWaalsContact OD1-CD1 3.28Å; N71-F147 WeakPolarHBondContact OD1-CD1 3.3Å; N71-K148 WeakPolarHBondContact OD1-CA 3.07Å; N71-K148 WeakPolarHBondContact OD1-CB 3.28Å; N71-K148 PolarHBondContact OD1-N 2.87Å; N71-R151 PolarHBondContact O-NH2 2.95Å |
| 72 | A | 87.2 | Confident | 81.9 | Confident | 80 Ų | 80 | 46.7 Ų | 46.7 | 66% | 0.661 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -70.6 | -27.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L68 | L68-A72 WeakPolarHBondContact O-CB 3.26Å; L68-A72 PolarHBondContact O-N 3.29Å |
| 73 | V | 84.3 | Confident | 79.8 | Confident | 11 Ų | 11 | 54.7 Ų | 54.7 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -82.7 | 129.8 | 176.3 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | N71 Q77 V78 A93 W96 K148 | N71-V73 VanDerWaalsContact C-N 3.35Å; V73-Q77 HydrophobicContact CG1-CB 4.31Å; V73-V78 HydrophobicContact CG1-CG2 3.96Å; V73-A93 HydrophobicContact CG1-CB 4.21Å; V73-W96 VanDerWaalsContact CG2-CD1 3.41Å; V73-W96 HydrophobicContact CG2-CG 4.28Å; V73-K148 PolarHBondContact O-NZ 3.42Å |
| 74 | S | 78.9 | Confident | 77.8 | Confident | 31 Ų | 31 | 59 Ų | 59 | 22% | 0.217 | 32% | 0.315 | C | S | . | . | trans | -73.1 | 149.8 | 175.7 | 79.1 | 0 | 0 | 0 | 0 | 111 | G76 Q77 E153 | S74-G76 PolarHBondContact O-N 2.94Å; S74-Q77 PolarHBondContact O-N 2.96Å; S74-Q77 VanDerWaalsContact OG-CG 3.24Å; S74-Q77 WeakPolarHBondContact OG-CG 3.45Å; S74-Q77 PolarHBondContact OG-N 2.84Å; S74-Q77 VanDerWaalsContact OG-N 3.15Å; S74-Q77 PolarHBondContact OG-OE1 3.49Å; S74-E153 VanDerWaalsContact CA-OE1 3.26Å; S74-E153 WeakPolarHBondContact CA-OE1 3.32Å; S74-E153 WeakPolarHBondContact CB-OE1 3.33Å; S74-E153 VanDerWaalsContact CB-OE2 3.3Å; S74-E153 WeakPolarHBondContact CB-OE2 3.17Å | ||
| 75 | N | 73.6 | Confident | 75.7 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 17% | 0.171 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63 | -32.4 | 173 | -69.1 | -31.4 | 0 | 0 | 0 | 111.4 | V78 R79 K148 E153 | N75-V78 PolarHBondContact O-N 3.46Å; N75-R79 PolarHBondContact O-N 3.34Å; N75-K148 PolarHBondContact ND2-O 3.04Å; N75-K148 VanDerWaalsContact ND2-O 3.16Å; N75-K148 WeakPolarHBondContact OD1-CE 3.24Å; N75-K148 PolarHBondContact OD1-NZ 3.35Å; N75-E153 WeakPolarHBondContact CA-OE2 3.41Å; N75-E153 WeakPolarHBondContact CB-OE2 3.37Å; N75-E153 VanDerWaalsContact N-CD 3.27Å; N75-E153 PolarHBondContact N-OE1 3.04Å; N75-E153 PolarHBondContact N-OE2 2.82Å |
| 76 | G | 70.7 | Confident | 73.9 | Confident | 3 Ų | 3 | 65.5 Ų | 65.5 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.9 | -38 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S74 V78 R79 G80 D81 E153 | S74-G76 PolarHBondContact O-N 2.94Å; G76-V78 VanDerWaalsContact C-N 3.27Å; G76-V78 PolarHBondContact O-N 2.96Å; G76-R79 PolarHBondContact O-N 3.12Å; G76-G80 PolarHBondContact O-N 3.48Å; G76-D81 PolarHBondContact O-N 2.84Å; G76-E153 PolarHBondContact N-OE2 2.95Å |
| 77 | Q | 70.9 | Confident | 72 | Confident | 85 Ų | 85 | 72.3 Ų | 72.3 | 40% | 0.397 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.6 | -28.9 | 176.3 | -77.7 | 171.5 | -32.5 | 0 | 0 | 112.9 | V73 S74 A93 | V73-Q77 HydrophobicContact CG1-CB 4.31Å; S74-Q77 PolarHBondContact O-N 2.96Å; S74-Q77 VanDerWaalsContact OG-CG 3.24Å; S74-Q77 WeakPolarHBondContact OG-CG 3.45Å; S74-Q77 PolarHBondContact OG-N 2.84Å; S74-Q77 VanDerWaalsContact OG-N 3.15Å; S74-Q77 PolarHBondContact OG-OE1 3.49Å; Q77-A93 HydrophobicContact CB-CB 4.37Å |
| 78 | V | 67.9 | Low | 70.3 | Confident | 39 Ų | 39 | 77.4 Ų | 77.4 | 24% | 0.236 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -77.1 | -39.9 | 177.6 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | V73 N75 G76 R94 L97 | V73-V78 HydrophobicContact CG1-CG2 3.96Å; N75-V78 PolarHBondContact O-N 3.46Å; G76-V78 VanDerWaalsContact C-N 3.27Å; G76-V78 PolarHBondContact O-N 2.96Å; V78-R94 PolarHBondContact O-NE 3.49Å; V78-R94 PolarHBondContact O-NH2 3.42Å; V78-L97 HydrophobicContact CG2-CD1 3.77Å |
| 79 | R | 67.1 | Low | 69.3 | Low | 181 Ų | 181 | 74.1 Ų | 74.1 | 68% | 0.683 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -70.9 | -32.2 | -179.9 | -72.5 | 179.7 | 176.8 | 168.9 | -0.1 | 113.2 | N75 G76 D81 Q90 | N75-R79 PolarHBondContact O-N 3.34Å; G76-R79 PolarHBondContact O-N 3.12Å; R79-D81 WeakPolarHBondContact CB-OD2 3.5Å; R79-Q90 PolarHBondContact O-NE2 2.93Å |
| 80 | G | 62.8 | Low | 68.5 | Low | 30 Ų | 30 | 76.9 Ų | 76.9 | 31% | 0.309 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | 12.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G76 S82 Q90 | G76-G80 PolarHBondContact O-N 3.48Å; G80-S82 PolarHBondContact O-N 3.17Å; G80-Q90 VanDerWaalsContact N-NE2 3.11Å |
| 81 | D | 60.1 | Low | 68 | Low | 80 Ų | 80 | 81.2 Ų | 81.2 | 43% | 0.428 | 46% | 0.458 | S | S | . | . | trans | -76.2 | -2 | 178.4 | -53.3 | -38.1 | 0 | 0 | 0 | 111.7 | G76 R79 L155 | G76-D81 PolarHBondContact O-N 2.84Å; R79-D81 WeakPolarHBondContact CB-OD2 3.5Å; D81-L155 HydrophobicContact CB-CD1 3.7Å; D81-L155 HydrophobicContact CB-CD2 4.24Å; D81-L155 WeakPolarHBondContact OD2-CD1 3.33Å | ||
| 82 | S | 56.1 | Low | 67.7 | Low | 52 Ų | 52 | 81.2 Ų | 81.2 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | trans | -91.8 | 113.1 | 176.3 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | G80 S84 | G80-S82 PolarHBondContact O-N 3.17Å; S82-S84 PolarHBondContact O-N 3.49Å | ||
| 83 | Y | 50.9 | Low | 67.6 | Low | 239 Ų | 239 | 78.2 Ų | 78.2 | 94% | 0.937 | 44% | 0.437 | S | S | * | . | trans | -68.5 | 28.3 | 171.7 | -65.8 | -84.1 | 0 | 0 | 0 | 114.2 | ||||
| 84 | S | 52.9 | Low | 67.7 | Low | 94 Ų | 94 | 83.6 Ų | 83.6 | 66% | 0.657 | 46% | 0.456 | S | S | * | . | trans | -105.3 | 98 | -178 | -167.3 | 0 | 0 | 0 | 0 | 110.6 | S82 G86 | S82-S84 PolarHBondContact O-N 3.49Å; S84-G86 PolarHBondContact O-N 2.81Å | ||
| 85 | E | 53.1 | Low | 68.2 | Low | 201 Ų | 201 | 86.5 Ų | 86.5 | 94% | 0.939 | 47% | 0.468 | S | S | * | . | trans | -71.9 | 66.7 | 167.3 | -67.7 | -172.1 | 156.1 | 0 | 0 | 110.9 | ||||
| 86 | G | 57.1 | Low | 69 | Low | 41 Ų | 41 | 91 Ų | 91 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | trans | -70.9 | 159 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S84 L88 G89 | S84-G86 PolarHBondContact O-N 2.81Å; G86-L88 PolarHBondContact O-N 2.86Å; G86-G89 PolarHBondContact O-N 2.99Å | ||
| 87 | C | 55.8 | Low | 69.9 | Low | 144 Ų | 144 | 92.2 Ų | 92.2 | 97% | 0.973 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -24.9 | -176.2 | -178.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 88 | L | 59.1 | Low | 70.9 | Confident | 138 Ų | 138 | 94.3 Ų | 94.3 | 72% | 0.723 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -7.7 | 175.3 | -85.6 | 159.4 | 0 | 0 | 0 | 113.8 | G86 G92 | G86-L88 PolarHBondContact O-N 2.86Å; L88-G92 PolarHBondContact O-N 3.01Å |
| 89 | G | 72.5 | Confident | 72.2 | Confident | 36 Ų | 36 | 95.8 Ų | 95.8 | 37% | 0.371 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | 48.1 | -153.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116 | G86 T91 | G86-G89 PolarHBondContact O-N 2.99Å; G89-T91 VanDerWaalsContact C-N 3.27Å; G89-T91 PolarHBondContact O-N 3.31Å |
| 90 | Q | 76.5 | Confident | 73.5 | Confident | 78 Ų | 78 | 87.2 Ų | 87.2 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -34.8 | 172.2 | -81.2 | -172.9 | -69.2 | 0 | 0 | 113.2 | R79 G80 G92 A93 R94 | R79-Q90 PolarHBondContact O-NE2 2.93Å; G80-Q90 VanDerWaalsContact N-NE2 3.11Å; Q90-G92 VanDerWaalsContact C-N 3.34Å; Q90-G92 PolarHBondContact O-N 2.83Å; Q90-A93 PolarHBondContact O-N 3.21Å; Q90-R94 WeakPolarHBondContact O-CG 3.47Å; Q90-R94 PolarHBondContact O-N 3.35Å |
| 91 | T | 80.1 | Confident | 75 | Confident | 96 Ų | 96 | 87.6 Ų | 87.6 | 59% | 0.589 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.8 | -41.5 | -175.7 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | G89 R94 I95 | G89-T91 VanDerWaalsContact C-N 3.27Å; G89-T91 PolarHBondContact O-N 3.31Å; T91-R94 PolarHBondContact O-N 3.2Å; T91-I95 HydrophobicContact CG2-CD1 4.06Å; T91-I95 WeakPolarHBondContact O-CG1 3.48Å; T91-I95 PolarHBondContact O-N 2.91Å |
| 92 | G | 83.4 | Confident | 76.7 | Confident | 15 Ų | 15 | 89 Ų | 89 | 16% | 0.155 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | L88 Q90 R94 I95 W96 | L88-G92 PolarHBondContact O-N 3.01Å; Q90-G92 VanDerWaalsContact C-N 3.34Å; Q90-G92 PolarHBondContact O-N 2.83Å; G92-R94 VanDerWaalsContact C-N 3.3Å; G92-R94 PolarHBondContact O-N 3.16Å; G92-I95 PolarHBondContact O-N 3.41Å; G92-W96 WeakPolarHBondContact O-CB 3.03Å; G92-W96 PolarHBondContact O-N 2.87Å |
| 93 | A | 84.7 | Confident | 78.6 | Confident | 17 Ų | 17 | 89.4 Ų | 89.4 | 14% | 0.14 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | V73 Q77 Q90 L97 | V73-A93 HydrophobicContact CG1-CB 4.21Å; Q77-A93 HydrophobicContact CB-CB 4.37Å; Q90-A93 PolarHBondContact O-N 3.21Å; A93-L97 VanDerWaalsContact O-CB 3.29Å; A93-L97 WeakPolarHBondContact O-CB 3.28Å; A93-L97 PolarHBondContact O-N 3.29Å |
| 94 | R | 86.5 | Confident | 80.7 | Confident | 124 Ų | 124 | 78.3 Ų | 78.3 | 47% | 0.468 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 175.5 | -69.6 | 176 | -174.9 | 174.4 | 4.1 | 112.4 | V78 Q90 T91 G92 L97 F98 | V78-R94 PolarHBondContact O-NE 3.49Å; V78-R94 PolarHBondContact O-NH2 3.42Å; Q90-R94 WeakPolarHBondContact O-CG 3.47Å; Q90-R94 PolarHBondContact O-N 3.35Å; T91-R94 PolarHBondContact O-N 3.2Å; G92-R94 VanDerWaalsContact C-N 3.3Å; G92-R94 PolarHBondContact O-N 3.16Å; R94-L97 PolarHBondContact O-N 3.38Å; R94-F98 VanDerWaalsContact O-CB 3.26Å; R94-F98 WeakPolarHBondContact O-CB 3.28Å; R94-F98 PolarHBondContact O-N 3.49Å |
| 95 | I | 89.5 | Confident | 82.7 | Confident | 92 Ų | 92 | 78.8 Ų | 78.8 | 47% | 0.472 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 176.3 | -69.5 | 167.4 | 0 | 0 | 0 | 110.3 | T91 G92 L97 F98 I99 | T91-I95 HydrophobicContact CG2-CD1 4.06Å; T91-I95 WeakPolarHBondContact O-CG1 3.48Å; T91-I95 PolarHBondContact O-N 2.91Å; G92-I95 PolarHBondContact O-N 3.41Å; I95-L97 PolarHBondContact O-N 2.7Å; I95-F98 WeakPolarHBondContact O-CB 3.5Å; I95-F98 PolarHBondContact O-N 3.3Å; I95-I99 HydrophobicContact CG2-CD1 3.86Å; I95-I99 HydrophobicContact CG2-CG1 4.44Å; I95-I99 WeakPolarHBondContact O-CG1 3.46Å; I95-I99 PolarHBondContact O-N 3.27Å |
| 96 | W | 90.4 | Very high | 84.8 | Confident | 125 Ų | 125 | 71 Ų | 71 | 47% | 0.473 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 177.7 | -174.6 | -89.9 | 0 | 0 | 0 | 112 | M69 V73 G92 I99 G100 | M69-W96 HydrophobicContact CE-CD2 3.85Å; M69-W96 HydrophobicContact CE-CE3 4.13Å; M69-W96 HydrophobicContact CE-CG 4.38Å; M69-W96 HydrophobicContact CE-CH2 4.15Å; M69-W96 HydrophobicContact CE-CZ2 3.87Å; M69-W96 HydrophobicContact CE-CZ3 4.27Å; M69-W96 HydrophobicContact CG-CZ2 3.77Å; M69-W96 PolarHBondContact O-NE1 2.96Å; M69-W96 HydrophobicContact SD-CZ2 4.45Å; V73-W96 VanDerWaalsContact CG2-CD1 3.41Å; V73-W96 HydrophobicContact CG2-CG 4.28Å; G92-W96 WeakPolarHBondContact O-CB 3.03Å; G92-W96 PolarHBondContact O-N 2.87Å; W96-I99 PolarHBondContact O-N 3.1Å; W96-G100 PolarHBondContact O-N 3.33Å |
| 97 | L | 90.6 | Very high | 86.6 | Confident | 30 Ų | 30 | 69.2 Ų | 69.2 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 176.3 | 178.3 | 145.7 | 0 | 0 | 0 | 111.8 | V78 A93 R94 I95 G100 F101 | V78-L97 HydrophobicContact CG2-CD1 3.77Å; A93-L97 VanDerWaalsContact O-CB 3.29Å; A93-L97 WeakPolarHBondContact O-CB 3.28Å; A93-L97 PolarHBondContact O-N 3.29Å; R94-L97 PolarHBondContact O-N 3.38Å; I95-L97 PolarHBondContact O-N 2.7Å; L97-G100 PolarHBondContact O-N 2.93Å; L97-F101 HydrophobicContact CD1-CE2 4.27Å; L97-F101 HydrophobicContact CD2-CD2 3.54Å; L97-F101 HydrophobicContact CD2-CE2 3.52Å; L97-F101 HydrophobicContact CG-CD2 3.9Å; L97-F101 HydrophobicContact CG-CE2 3.73Å; L97-F101 VanDerWaalsContact O-CD2 3.28Å; L97-F101 WeakPolarHBondContact O-CD2 3.47Å; L97-F101 PolarHBondContact O-N 3.27Å |
| 98 | F | 92.3 | Very high | 88.5 | Confident | 129 Ų | 129 | 64 Ų | 64 | 57% | 0.566 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.9 | -47.1 | 176 | 179.8 | -105.5 | 0 | 0 | 0 | 111.8 | R94 I95 G100 F101 M102 | R94-F98 VanDerWaalsContact O-CB 3.26Å; R94-F98 WeakPolarHBondContact O-CB 3.28Å; R94-F98 PolarHBondContact O-N 3.49Å; I95-F98 WeakPolarHBondContact O-CB 3.5Å; I95-F98 PolarHBondContact O-N 3.3Å; F98-G100 VanDerWaalsContact C-N 3.3Å; F98-G100 PolarHBondContact O-N 3.01Å; F98-F101 PolarHBondContact O-N 2.9Å; F98-M102 HydrophobicContact CD1-CG 4.31Å; F98-M102 HydrophobicContact CD1-SD 3.73Å; F98-M102 HydrophobicContact CE1-CG 3.99Å; F98-M102 HydrophobicContact CE1-SD 3.17Å; F98-M102 WeakPolarHBondContact CE1-SD 3.47Å; F98-M102 HydrophobicContact CE2-CG 4.45Å; F98-M102 HydrophobicContact CZ-CG 4.05Å; F98-M102 HydrophobicContact CZ-SD 3.66Å; F98-M102 WeakPolarHBondContact O-CG 3.49Å; F98-M102 PolarHBondContact O-N 3.48Å |
| 99 | I | 94.4 | Very high | 90.3 | Very high | 70 Ų | 70 | 63.1 Ų | 63.1 | 36% | 0.359 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 174.6 | -65.5 | 167.5 | 0 | 0 | 0 | 110.2 | M69 I95 W96 F101 M102 L103 | M69-I99 HydrophobicContact CE-CB 4.12Å; M69-I99 HydrophobicContact CE-CG2 3.77Å; I95-I99 HydrophobicContact CG2-CD1 3.86Å; I95-I99 HydrophobicContact CG2-CG1 4.44Å; I95-I99 WeakPolarHBondContact O-CG1 3.46Å; I95-I99 PolarHBondContact O-N 3.27Å; W96-I99 PolarHBondContact O-N 3.1Å; I99-F101 PolarHBondContact O-N 3.25Å; I99-M102 PolarHBondContact O-N 2.85Å; I99-L103 HydrophobicContact CG2-CD1 4.05Å; I99-L103 HydrophobicContact CG2-CG 4.31Å; I99-L103 WeakPolarHBondContact O-CG 3.17Å; I99-L103 PolarHBondContact O-N 3.44Å |
| 100 | G | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.1 | -49.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A66 W96 L97 F98 L103 A104 | A66-G100 WeakPolarHBondContact CB-O 3.36Å; W96-G100 PolarHBondContact O-N 3.33Å; L97-G100 PolarHBondContact O-N 2.93Å; F98-G100 VanDerWaalsContact C-N 3.3Å; F98-G100 PolarHBondContact O-N 3.01Å; G100-L103 PolarHBondContact O-N 3.11Å; G100-A104 WeakPolarHBondContact O-CB 3.37Å; G100-A104 PolarHBondContact O-N 3.22Å |
| 101 | F | 93.8 | Very high | 92.3 | Very high | 38 Ų | 38 | 59.6 Ų | 59.6 | 17% | 0.167 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 176.6 | -82.4 | -66.9 | 0 | 0 | 0 | 112.9 | I70 L97 F98 I99 L103 A104 F105 L145 F149 | I70-F101 HydrophobicContact CD1-CD1 3.88Å; I70-F101 HydrophobicContact CD1-CE1 4.02Å; I70-F101 HydrophobicContact CD1-CG 4.18Å; I70-F101 HydrophobicContact CD1-CZ 4.43Å; I70-F101 HydrophobicContact CG1-CD2 4.45Å; I70-F101 HydrophobicContact CG1-CE2 4.5Å; I70-F101 HydrophobicContact CG1-CG 4.48Å; I70-F101 HydrophobicContact CG2-CE1 4.47Å; I70-F101 HydrophobicContact CG2-CE2 4.25Å; I70-F101 HydrophobicContact CG2-CZ 3.97Å; L97-F101 HydrophobicContact CD1-CE2 4.27Å; L97-F101 HydrophobicContact CD2-CD2 3.54Å; L97-F101 HydrophobicContact CD2-CE2 3.52Å; L97-F101 HydrophobicContact CG-CD2 3.9Å; L97-F101 HydrophobicContact CG-CE2 3.73Å; L97-F101 VanDerWaalsContact O-CD2 3.28Å; L97-F101 WeakPolarHBondContact O-CD2 3.47Å; L97-F101 PolarHBondContact O-N 3.27Å; F98-F101 PolarHBondContact O-N 2.9Å; I99-F101 PolarHBondContact O-N 3.25Å; F101-L103 VanDerWaalsContact C-N 3.34Å; F101-L103 PolarHBondContact O-N 2.96Å; F101-A104 PolarHBondContact O-N 2.75Å; F101-F105 HydrophobicContact CB-CD2 4.41Å; F101-F105 HydrophobicContact CB-CE2 4.39Å; F101-F105 HydrophobicContact CD1-CE2 4.1Å; F101-F105 WeakPolarHBondContact O-CD2 3.31Å; F101-F105 PolarHBondContact O-N 2.87Å; F101-L145 HydrophobicContact CE1-CD2 3.78Å; F101-F149 HydrophobicContact CZ-CZ 4.39Å |
| 102 | M | 96.6 | Very high | 93 | Very high | 110 Ų | 110 | 58.8 Ų | 58.8 | 54% | 0.542 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 175.2 | -73.6 | -177.1 | 73.3 | 0 | 0 | 112 | F98 I99 G106 | F98-M102 HydrophobicContact CD1-CG 4.31Å; F98-M102 HydrophobicContact CD1-SD 3.73Å; F98-M102 HydrophobicContact CE1-CG 3.99Å; F98-M102 HydrophobicContact CE1-SD 3.17Å; F98-M102 WeakPolarHBondContact CE1-SD 3.47Å; F98-M102 HydrophobicContact CE2-CG 4.45Å; F98-M102 HydrophobicContact CZ-CG 4.05Å; F98-M102 HydrophobicContact CZ-SD 3.66Å; F98-M102 WeakPolarHBondContact O-CG 3.49Å; F98-M102 PolarHBondContact O-N 3.48Å; I99-M102 PolarHBondContact O-N 2.85Å; M102-G106 WeakPolarHBondContact O-CA 3.45Å; M102-G106 PolarHBondContact O-N 3.26Å |
| 103 | L | 95.9 | Very high | 93.5 | Very high | 61 Ų | 61 | 67.4 Ų | 67.4 | 32% | 0.319 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 176.7 | -68.5 | 174.6 | 0 | 0 | 0 | 111.5 | I62 A66 M69 I99 G100 F101 G106 S107 | I62-L103 HydrophobicContact CG2-CB 4.21Å; I62-L103 HydrophobicContact CG2-CD2 4.1Å; A66-L103 HydrophobicContact CB-CB 3.72Å; M69-L103 HydrophobicContact SD-CD1 3.76Å; I99-L103 HydrophobicContact CG2-CD1 4.05Å; I99-L103 HydrophobicContact CG2-CG 4.31Å; I99-L103 WeakPolarHBondContact O-CG 3.17Å; I99-L103 PolarHBondContact O-N 3.44Å; G100-L103 PolarHBondContact O-N 3.11Å; F101-L103 VanDerWaalsContact C-N 3.34Å; F101-L103 PolarHBondContact O-N 2.96Å; L103-G106 PolarHBondContact O-N 2.89Å; L103-S107 WeakPolarHBondContact O-CB 3.47Å; L103-S107 PolarHBondContact O-N 3.44Å; L103-S107 PolarHBondContact O-OG 3.43Å |
| 104 | A | 95.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 67.4 Ų | 67.4 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A66 I70 G100 F101 S107 L108 F141 | A66-A104 HydrophobicContact CB-CB 3.82Å; I70-A104 HydrophobicContact CD1-CB 3.95Å; G100-A104 WeakPolarHBondContact O-CB 3.37Å; G100-A104 PolarHBondContact O-N 3.22Å; F101-A104 PolarHBondContact O-N 2.75Å; A104-S107 PolarHBondContact O-OG 2.97Å; A104-S107 VanDerWaalsContact O-OG 3.1Å; A104-L108 PolarHBondContact O-N 2.91Å; A104-F141 HydrophobicContact CB-CD2 3.76Å; A104-F141 HydrophobicContact CB-CE2 3.92Å |
| 105 | F | 95.4 | Very high | 94.2 | Very high | 104 Ų | 104 | 62.3 Ų | 62.3 | 46% | 0.456 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.8 | -40 | 174.5 | -74.5 | -64.8 | 0 | 0 | 0 | 111.8 | F101 S107 L108 I109 F141 | F101-F105 HydrophobicContact CB-CD2 4.41Å; F101-F105 HydrophobicContact CB-CE2 4.39Å; F101-F105 HydrophobicContact CD1-CE2 4.1Å; F101-F105 WeakPolarHBondContact O-CD2 3.31Å; F101-F105 PolarHBondContact O-N 2.87Å; F105-S107 PolarHBondContact O-N 3.46Å; F105-L108 PolarHBondContact O-N 2.88Å; F105-I109 VanDerWaalsContact O-CG1 3.28Å; F105-I109 WeakPolarHBondContact O-CG1 3.43Å; F105-I109 PolarHBondContact O-N 3.38Å; F105-F141 AromaticContact CD1-CE2 3.94Å; F105-F141 HydrophobicContact CD1-CE2 3.94Å; F105-F141 AromaticContact CD1-CZ 3.99Å; F105-F141 HydrophobicContact CD1-CZ 3.99Å; F105-F141 HydrophobicContact CE1-CE1 4.45Å; F105-F141 AromaticContact CE1-CE2 3.83Å; F105-F141 HydrophobicContact CE1-CE2 3.83Å; F105-F141 AromaticContact CE1-CZ 3.43Å; F105-F141 HydrophobicContact CE1-CZ 3.43Å; F105-F141 VanDerWaalsContact CE1-CZ 3.43Å; F105-F141 HydrophobicContact CG-CE2 4.36Å; F105-F141 HydrophobicContact CZ-CE2 4.13Å; F105-F141 AromaticContact CZ-CZ 3.76Å; F105-F141 HydrophobicContact CZ-CZ 3.76Å |
| 106 | G | 96.3 | Very high | 94.3 | Very high | 37 Ų | 37 | 63.2 Ų | 63.2 | 38% | 0.381 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M102 L103 A110 | M102-G106 WeakPolarHBondContact O-CA 3.45Å; M102-G106 PolarHBondContact O-N 3.26Å; L103-G106 PolarHBondContact O-N 2.89Å; G106-A110 VanDerWaalsContact O-CB 3.24Å; G106-A110 WeakPolarHBondContact O-CB 3.48Å; G106-A110 PolarHBondContact O-N 2.93Å |
| 107 | S | 95.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 176.1 | 74.7 | 0 | 0 | 0 | 0 | 111.6 | C59 A63 L103 A104 F105 A110 S111 N137 | C59-S107 PolarHBondContact SG-O 3.18Å; A63-S107 WeakPolarHBondContact CB-OG 3.4Å; L103-S107 WeakPolarHBondContact O-CB 3.47Å; L103-S107 PolarHBondContact O-N 3.44Å; L103-S107 PolarHBondContact O-OG 3.43Å; A104-S107 PolarHBondContact O-OG 2.97Å; A104-S107 VanDerWaalsContact O-OG 3.1Å; F105-S107 PolarHBondContact O-N 3.46Å; S107-A110 PolarHBondContact O-N 3.35Å; S107-S111 WeakPolarHBondContact O-CB 3.29Å; S107-S111 PolarHBondContact O-N 2.93Å; S107-S111 PolarHBondContact O-OG 3.24Å; S107-N137 VanDerWaalsContact CB-OD1 3.29Å; S107-N137 WeakPolarHBondContact CB-OD1 3.32Å; S107-N137 PolarHBondContact OG-OD1 3.15Å |
| 108 | L | 95.8 | Very high | 94.1 | Very high | 34 Ų | 34 | 57.2 Ų | 57.2 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 176.9 | -171.2 | 65.1 | 0 | 0 | 0 | 112 | A104 F105 S111 M112 F134 N137 A138 F141 | A104-L108 PolarHBondContact O-N 2.91Å; F105-L108 PolarHBondContact O-N 2.88Å; L108-S111 PolarHBondContact O-N 3.32Å; L108-S111 PolarHBondContact O-OG 2.84Å; L108-M112 PolarHBondContact O-N 2.66Å; L108-F134 HydrophobicContact CD1-CE2 4.28Å; L108-N137 HydrophobicContact CD1-CB 4.27Å; L108-A138 HydrophobicContact CD1-CB 4.17Å; L108-F141 HydrophobicContact CD2-CD1 4.36Å; L108-F141 HydrophobicContact CD2-CG 4.42Å |
| 109 | I | 95.9 | Very high | 93.9 | Very high | 119 Ų | 119 | 51.1 Ų | 51.1 | 61% | 0.61 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63.8 | -43 | 176.6 | -65.2 | 164.6 | 0 | 0 | 0 | 110.7 | F105 S111 M112 W113 | F105-I109 VanDerWaalsContact O-CG1 3.28Å; F105-I109 WeakPolarHBondContact O-CG1 3.43Å; F105-I109 PolarHBondContact O-N 3.38Å; I109-S111 VanDerWaalsContact C-N 3.33Å; I109-S111 PolarHBondContact O-N 3.17Å; I109-M112 WeakPolarHBondContact O-CB 3.35Å; I109-M112 PolarHBondContact O-N 3.39Å; I109-W113 PolarHBondContact O-N 2.8Å |
| 110 | A | 95.6 | Very high | 93.6 | Very high | 41 Ų | 41 | 51 Ų | 51 | 34% | 0.339 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G106 S107 M112 W113 I114 | G106-A110 VanDerWaalsContact O-CB 3.24Å; G106-A110 WeakPolarHBondContact O-CB 3.48Å; G106-A110 PolarHBondContact O-N 2.93Å; S107-A110 PolarHBondContact O-N 3.35Å; A110-M112 VanDerWaalsContact C-N 3.33Å; A110-M112 PolarHBondContact O-N 2.87Å; A110-W113 WeakPolarHBondContact O-CB 3.42Å; A110-W113 PolarHBondContact O-N 3.33Å; A110-I114 WeakPolarHBondContact O-CG1 3.37Å; A110-I114 PolarHBondContact O-N 3.32Å |
| 111 | S | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 176.2 | 76.1 | 0 | 0 | 0 | 0 | 112.4 | S107 L108 I109 W113 I114 L115 | S107-S111 WeakPolarHBondContact O-CB 3.29Å; S107-S111 PolarHBondContact O-N 2.93Å; S107-S111 PolarHBondContact O-OG 3.24Å; L108-S111 PolarHBondContact O-N 3.32Å; L108-S111 PolarHBondContact O-OG 2.84Å; I109-S111 VanDerWaalsContact C-N 3.33Å; I109-S111 PolarHBondContact O-N 3.17Å; S111-W113 VanDerWaalsContact C-N 3.35Å; S111-I114 PolarHBondContact O-N 2.81Å; S111-L115 PolarHBondContact O-N 3.26Å |
| 112 | M | 95.2 | Very high | 93 | Very high | 79 Ų | 79 | 60.1 Ų | 60.1 | 39% | 0.389 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 173.6 | -165.4 | 74.8 | 93.5 | 0 | 0 | 111.2 | L108 I109 A110 L115 F116 F134 | L108-M112 PolarHBondContact O-N 2.66Å; I109-M112 WeakPolarHBondContact O-CB 3.35Å; I109-M112 PolarHBondContact O-N 3.39Å; A110-M112 VanDerWaalsContact C-N 3.33Å; A110-M112 PolarHBondContact O-N 2.87Å; M112-L115 PolarHBondContact O-N 3.32Å; M112-F116 HydrophobicContact CG-CD2 3.98Å; M112-F116 HydrophobicContact CG-CE2 4.16Å; M112-F116 WeakPolarHBondContact O-CD2 3.28Å; M112-F116 PolarHBondContact O-N 2.68Å; M112-F116 HydrophobicContact SD-CD2 4Å; M112-F116 HydrophobicContact SD-CE2 3.59Å; M112-F116 VanDerWaalsContact SD-CE2 3.59Å; M112-F134 HydrophobicContact CB-CD2 4.48Å; M112-F134 HydrophobicContact CE-CE2 3.54Å; M112-F134 HydrophobicContact CE-CZ 3.91Å; M112-F134 HydrophobicContact SD-CD2 3.91Å; M112-F134 HydrophobicContact SD-CE2 3.47Å; M112-F134 WeakPolarHBondContact SD-CE2 3.16Å; M112-F134 HydrophobicContact SD-CZ 4.06Å |
| 113 | W | 94.4 | Very high | 92.4 | Very high | 195 Ų | 195 | 63.1 Ų | 63.1 | 74% | 0.739 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.1 | -41.1 | 174.2 | 178.7 | -93.9 | 0 | 0 | 0 | 112.4 | I109 A110 S111 L115 G117 G118 | I109-W113 PolarHBondContact O-N 2.8Å; A110-W113 WeakPolarHBondContact O-CB 3.42Å; A110-W113 PolarHBondContact O-N 3.33Å; S111-W113 VanDerWaalsContact C-N 3.35Å; W113-L115 VanDerWaalsContact C-N 3.35Å; W113-L115 PolarHBondContact O-N 2.93Å; W113-G117 VanDerWaalsContact O-CA 3.28Å; W113-G117 WeakPolarHBondContact O-CA 3.23Å; W113-G117 PolarHBondContact O-N 3.22Å; W113-G118 PolarHBondContact O-N 2.94Å |
| 114 | I | 92.4 | Very high | 91.6 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 9% | 0.087 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -60.3 | -46.7 | 176.2 | -69.8 | 163.9 | 0 | 0 | 0 | 110.2 | Y56 C59 A110 S111 G118 Y119 V133 | Y56-I114 HydrophobicContact CD1-CD1 3.59Å; Y56-I114 HydrophobicContact CD1-CG1 3.85Å; Y56-I114 HydrophobicContact CD1-CG2 4.04Å; Y56-I114 HydrophobicContact CD2-CG2 3.97Å; Y56-I114 HydrophobicContact CE1-CD1 4.2Å; Y56-I114 HydrophobicContact CE1-CG1 3.94Å; Y56-I114 HydrophobicContact CE1-CG2 4.13Å; Y56-I114 HydrophobicContact CE2-CG2 4.05Å; Y56-I114 HydrophobicContact CG-CD1 4.13Å; Y56-I114 HydrophobicContact CG-CG2 3.97Å; C59-I114 HydrophobicContact CB-CD1 4.33Å; A110-I114 WeakPolarHBondContact O-CG1 3.37Å; A110-I114 PolarHBondContact O-N 3.32Å; S111-I114 PolarHBondContact O-N 2.81Å; I114-G118 WeakPolarHBondContact O-CA 3.46Å; I114-G118 PolarHBondContact O-N 2.9Å; I114-Y119 HydrophobicContact CG2-CD2 4.31Å; I114-Y119 HydrophobicContact CG2-CE2 3.97Å; I114-Y119 WeakPolarHBondContact O-CD2 3.3Å; I114-Y119 PolarHBondContact O-N 3.16Å; I114-V133 HydrophobicContact CD1-CG1 4.21Å |
| 115 | L | 92.8 | Very high | 90.8 | Very high | 18 Ų | 18 | 71.4 Ų | 71.4 | 9% | 0.094 | 37% | 0.373 | C | S | . | . | I | π-helix | trans | -59.5 | -58.4 | 177.9 | 173.1 | 59.7 | 0 | 0 | 0 | 111.6 | S111 M112 W113 Y119 V120 V127 I131 F134 | S111-L115 PolarHBondContact O-N 3.26Å; M112-L115 PolarHBondContact O-N 3.32Å; W113-L115 VanDerWaalsContact C-N 3.35Å; W113-L115 PolarHBondContact O-N 2.93Å; L115-Y119 WeakPolarHBondContact O-CB 3.1Å; L115-Y119 PolarHBondContact O-N 3.26Å; L115-V120 HydrophobicContact CD1-CG2 4.38Å; L115-V120 PolarHBondContact O-N 2.69Å; L115-V120 VanDerWaalsContact O-N 3.07Å; L115-V127 HydrophobicContact CD1-CG1 4.18Å; L115-I131 HydrophobicContact CD1-CB 4.45Å; L115-I131 HydrophobicContact CD1-CG1 3.63Å; L115-F134 HydrophobicContact CB-CB 4.41Å; L115-F134 HydrophobicContact CD2-CB 4.07Å; L115-F134 HydrophobicContact CD2-CD1 4.34Å; L115-F134 HydrophobicContact CD2-CG 4.12Å |
| 116 | F | 92.6 | Very high | 90.4 | Very high | 111 Ų | 111 | 69.2 Ų | 69.2 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | I | π-helix | trans | -78.4 | -47.3 | -173.3 | -73 | -68.6 | 0 | 0 | 0 | 113.1 | M112 V120 A121 | M112-F116 HydrophobicContact CG-CD2 3.98Å; M112-F116 HydrophobicContact CG-CE2 4.16Å; M112-F116 WeakPolarHBondContact O-CD2 3.28Å; M112-F116 PolarHBondContact O-N 2.68Å; M112-F116 HydrophobicContact SD-CD2 4Å; M112-F116 HydrophobicContact SD-CE2 3.59Å; M112-F116 VanDerWaalsContact SD-CE2 3.59Å; F116-V120 HydrophobicContact CD1-CB 4.1Å; F116-V120 HydrophobicContact CD1-CG1 4.27Å; F116-V120 HydrophobicContact CD1-CG2 3.98Å; F116-V120 HydrophobicContact CE1-CG2 4.44Å; F116-V120 PolarHBondContact O-N 3.38Å; F116-A121 VanDerWaalsContact O-CB 3.23Å; F116-A121 WeakPolarHBondContact O-CB 3.33Å; F116-A121 PolarHBondContact O-N 2.92Å |
| 117 | G | 89.9 | Confident | 90.1 | Very high | 21 Ų | 21 | 69.7 Ų | 69.7 | 22% | 0.216 | 36% | 0.361 | C | S | . | . | I | π-helix | trans | -80.1 | -29.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | W113 | W113-G117 VanDerWaalsContact O-CA 3.28Å; W113-G117 WeakPolarHBondContact O-CA 3.23Å; W113-G117 PolarHBondContact O-N 3.22Å |
| 118 | G | 86.2 | Confident | 89.8 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 8% | 0.082 | 38% | 0.376 | C | S | . | . | I | π-helix | trans | -87.8 | -34.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | W113 I114 | W113-G118 PolarHBondContact O-N 2.94Å; I114-G118 WeakPolarHBondContact O-CA 3.46Å; I114-G118 PolarHBondContact O-N 2.9Å |
| 119 | Y | 88.2 | Confident | 89.6 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 0% | 0.004 | 37% | 0.368 | C | S | . | . | I | π-helix | trans | -117.4 | -53.5 | -173.6 | -68.7 | -90.7 | 0 | 0 | 0 | 113.3 | D51 Y56 I114 L115 E123 K124 I126 P129 G130 | D51-Y119 WeakPolarHBondContact O-CE1 3.06Å; D51-Y119 PolarHBondContact O-OH 2.91Å; Y56-Y119 HydrophobicContact CD2-CE2 4.32Å; Y56-Y119 AromaticContact CE2-CE2 3.9Å; Y56-Y119 HydrophobicContact CE2-CE2 3.9Å; I114-Y119 HydrophobicContact CG2-CD2 4.31Å; I114-Y119 HydrophobicContact CG2-CE2 3.97Å; I114-Y119 WeakPolarHBondContact O-CD2 3.3Å; I114-Y119 PolarHBondContact O-N 3.16Å; L115-Y119 WeakPolarHBondContact O-CB 3.1Å; L115-Y119 PolarHBondContact O-N 3.26Å; Y119-E123 PolarHBondContact O-N 2.92Å; Y119-K124 HydrophobicContact CD1-CB 4.45Å; Y119-K124 HydrophobicContact CD1-CD 3.76Å; Y119-K124 HydrophobicContact CE1-CD 3.98Å; Y119-K124 PolarHBondContact O-N 3.33Å; Y119-I126 VanDerWaalsContact CD1-O 3.28Å; Y119-I126 WeakPolarHBondContact CD1-O 3.41Å; Y119-P129 HydrophobicContact CE1-CB 4.02Å; Y119-P129 HydrophobicContact CE1-CG 4.16Å; Y119-G130 VanDerWaalsContact CD2-CA 3.42Å |
| 120 | V | 89.3 | Confident | 89.4 | Confident | 68 Ų | 68 | 66.5 Ų | 66.5 | 41% | 0.412 | 34% | 0.339 | S | S | . | . | I | π-helix | trans | -71.3 | -52.7 | -173.3 | 179.2 | 0 | 0 | 0 | 0 | 112.4 | L115 F116 K122 E123 V127 | L115-V120 HydrophobicContact CD1-CG2 4.38Å; L115-V120 PolarHBondContact O-N 2.69Å; L115-V120 VanDerWaalsContact O-N 3.07Å; F116-V120 HydrophobicContact CD1-CB 4.1Å; F116-V120 HydrophobicContact CD1-CG1 4.27Å; F116-V120 HydrophobicContact CD1-CG2 3.98Å; F116-V120 HydrophobicContact CE1-CG2 4.44Å; F116-V120 PolarHBondContact O-N 3.38Å; V120-K122 PolarHBondContact O-N 3.11Å; V120-E123 PolarHBondContact O-N 3.48Å; V120-V127 HydrophobicContact CG2-CG1 4.12Å |
| 121 | A | 89 | Confident | 89.3 | Confident | 80 Ų | 80 | 67.6 Ų | 67.6 | 66% | 0.661 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -17.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F116 | F116-A121 VanDerWaalsContact O-CB 3.23Å; F116-A121 WeakPolarHBondContact O-CB 3.33Å; F116-A121 PolarHBondContact O-N 2.92Å |
| 122 | K | 85.3 | Confident | 89.3 | Confident | 149 Ų | 149 | 67.7 Ų | 67.7 | 65% | 0.648 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 3.1 | 174.5 | -68.2 | -168.8 | 178.2 | -173.9 | 0 | 113.1 | V120 K124 | V120-K122 PolarHBondContact O-N 3.11Å; K122-K124 PolarHBondContact O-N 3.24Å; K122-K124 VanDerWaalsContact O-N 3.13Å |
| 123 | E | 83.4 | Confident | 89.3 | Confident | 173 Ų | 173 | 63.9 Ų | 63.9 | 81% | 0.808 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 42.5 | 179.3 | -60.1 | -176.3 | 171.2 | 0 | 0 | 112.5 | Y119 V120 D125 | Y119-E123 PolarHBondContact O-N 2.92Å; V120-E123 PolarHBondContact O-N 3.48Å; E123-D125 PolarHBondContact O-N 3.45Å |
| 124 | K | 80.4 | Confident | 89.4 | Confident | 69 Ų | 69 | 56.6 Ų | 56.6 | 30% | 0.3 | 29% | 0.294 | S | S | . | . | trans | -65.1 | 137.2 | 176.1 | -79 | -164.2 | 171.7 | -165 | 0 | 109.8 | K50 Y119 K122 I126 | K50-K124 PolarHBondContact O-NZ 2.98Å; Y119-K124 HydrophobicContact CD1-CB 4.45Å; Y119-K124 HydrophobicContact CD1-CD 3.76Å; Y119-K124 HydrophobicContact CE1-CD 3.98Å; Y119-K124 PolarHBondContact O-N 3.33Å; K122-K124 PolarHBondContact O-N 3.24Å; K122-K124 VanDerWaalsContact O-N 3.13Å; K124-I126 PolarHBondContact O-N 3.44Å | ||
| 125 | D | 79.2 | Confident | 89.6 | Confident | 170 Ų | 170 | 60 Ų | 60 | 91% | 0.909 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -55.8 | -28.4 | 175.6 | -63.8 | -46 | 0 | 0 | 0 | 112.7 | E123 | E123-D125 PolarHBondContact O-N 3.45Š|
| 126 | I | 85.3 | Confident | 89.7 | Confident | 59 Ų | 59 | 59.2 Ų | 59.2 | 30% | 0.303 | 30% | 0.304 | S | S | . | . | trans | -121.9 | 108.4 | -177.3 | -58.7 | 163.7 | 0 | 0 | 0 | 109.6 | Y46 Y119 K124 P129 | Y46-I126 HydrophobicContact CD1-CD1 4.48Å; Y46-I126 HydrophobicContact CD1-CG2 4.16Å; Y46-I126 HydrophobicContact CE1-CD1 3.93Å; Y46-I126 HydrophobicContact CE1-CG1 4.48Å; Y46-I126 HydrophobicContact CE1-CG2 3.44Å; Y46-I126 VanDerWaalsContact CE1-CG2 3.44Å; Y46-I126 HydrophobicContact CE2-CG2 4.24Å; Y46-I126 VanDerWaalsContact CZ-CG2 3.45Å; Y46-I126 WeakPolarHBondContact OH-CG2 3.32Å; Y119-I126 VanDerWaalsContact CD1-O 3.28Å; Y119-I126 WeakPolarHBondContact CD1-O 3.41Å; K124-I126 PolarHBondContact O-N 3.44Å; I126-P129 HydrophobicContact CG2-CG 4.34Å | ||
| 127 | V | 90 | Very high | 89.9 | Confident | 46 Ų | 46 | 53.9 Ų | 53.9 | 28% | 0.279 | 28% | 0.281 | S | S | . | . | trans | -99.5 | -16.3 | -178.3 | -174.3 | 0 | 0 | 0 | 0 | 112.7 | L115 V120 P129 G130 I131 | L115-V127 HydrophobicContact CD1-CG1 4.18Å; V120-V127 HydrophobicContact CG2-CG1 4.12Å; V127-P129 VanDerWaalsContact C-CD 3.46Å; V127-G130 PolarHBondContact O-N 2.93Å; V127-I131 HydrophobicContact CG1-CD1 4.13Å; V127-I131 HydrophobicContact CG1-CG1 4.18Å; V127-I131 PolarHBondContact O-N 3.42Å | ||
| 128 | Y | 90.8 | Very high | 90.3 | Very high | 91 Ų | 91 | 53.3 Ų | 53.3 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -51.1 | -43.3 | -174.8 | -176.8 | -98.2 | 0 | 0 | 0 | 115 | D41 A42 I45 Y46 G130 I131 A132 | D41-Y128 PolarHBondContact OD2-OH 3.23Å; A42-Y128 HydrophobicContact CB-CD1 4.24Å; A42-Y128 HydrophobicContact CB-CE1 3.93Å; I45-Y128 HydrophobicContact CD1-CE1 4.44Å; Y46-Y128 HydrophobicContact CD2-CD1 4.32Å; Y46-Y128 AromaticContact CE2-CD1 3.62Å; Y46-Y128 HydrophobicContact CE2-CD1 3.62Å; Y46-Y128 HydrophobicContact CE2-CE1 4.43Å; Y46-Y128 HydrophobicContact CE2-CG 4.3Å; Y128-G130 VanDerWaalsContact C-N 3.29Å; Y128-G130 PolarHBondContact O-N 3.35Å; Y128-I131 WeakPolarHBondContact O-CB 3.41Å; Y128-I131 PolarHBondContact O-N 3.26Å; Y128-I131 VanDerWaalsContact O-N 3.08Å; Y128-A132 PolarHBondContact O-N 2.94Å |
| 129 | P | 91.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.2 | -36.8 | 178.7 | -21.7 | 31.6 | 0 | 0 | 0 | 113.2 | Y46 F52 Y119 I126 V127 I131 A132 V133 | Y46-P129 HydrophobicContact CD2-CG 3.66Å; Y46-P129 HydrophobicContact CE2-CG 4.07Å; Y46-P129 HydrophobicContact CG-CG 3.95Å; F52-P129 HydrophobicContact CB-CB 4.2Å; F52-P129 HydrophobicContact CB-CG 4.46Å; F52-P129 HydrophobicContact CD2-CB 3.58Å; F52-P129 HydrophobicContact CE2-CB 4.31Å; F52-P129 HydrophobicContact CG-CB 4.13Å; Y119-P129 HydrophobicContact CE1-CB 4.02Å; Y119-P129 HydrophobicContact CE1-CG 4.16Å; I126-P129 HydrophobicContact CG2-CG 4.34Å; V127-P129 VanDerWaalsContact C-CD 3.46Å; P129-I131 VanDerWaalsContact C-N 3.34Å; P129-A132 PolarHBondContact O-N 3.23Å; P129-V133 WeakPolarHBondContact O-CG2 3.47Å; P129-V133 PolarHBondContact O-N 3.45Å |
| 130 | G | 91.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y119 V127 Y128 V133 F134 | Y119-G130 VanDerWaalsContact CD2-CA 3.42Å; V127-G130 PolarHBondContact O-N 2.93Å; Y128-G130 VanDerWaalsContact C-N 3.29Å; Y128-G130 PolarHBondContact O-N 3.35Å; G130-V133 PolarHBondContact O-N 3.49Å; G130-F134 PolarHBondContact O-N 3.33Å; G130-F134 VanDerWaalsContact O-N 3.16Å |
| 131 | I | 93.5 | Very high | 91.5 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 33% | 0.333 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 177.2 | -64.4 | 172.1 | 0 | 0 | 0 | 109.8 | L115 V127 Y128 P129 V133 F134 F135 | L115-I131 HydrophobicContact CD1-CB 4.45Å; L115-I131 HydrophobicContact CD1-CG1 3.63Å; V127-I131 HydrophobicContact CG1-CD1 4.13Å; V127-I131 HydrophobicContact CG1-CG1 4.18Å; V127-I131 PolarHBondContact O-N 3.42Å; Y128-I131 WeakPolarHBondContact O-CB 3.41Å; Y128-I131 PolarHBondContact O-N 3.26Å; Y128-I131 VanDerWaalsContact O-N 3.08Å; P129-I131 VanDerWaalsContact C-N 3.34Å; I131-V133 PolarHBondContact O-N 3.48Å; I131-F134 PolarHBondContact O-N 3.3Å; I131-F135 HydrophobicContact CG2-CD2 3.48Å; I131-F135 VanDerWaalsContact CG2-CD2 3.48Å; I131-F135 HydrophobicContact CG2-CE2 3.58Å; I131-F135 WeakPolarHBondContact O-CD2 3.02Å; I131-F135 PolarHBondContact O-N 2.71Å |
| 132 | A | 94.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I38 A42 Y128 P129 F134 F135 Q136 | I38-A132 HydrophobicContact CG2-CB 3.74Å; A42-A132 HydrophobicContact CB-CB 3.55Å; Y128-A132 PolarHBondContact O-N 2.94Å; P129-A132 PolarHBondContact O-N 3.23Å; A132-F134 VanDerWaalsContact C-N 3.35Å; A132-F134 PolarHBondContact O-N 2.91Å; A132-F135 PolarHBondContact O-N 3.43Å; A132-Q136 WeakPolarHBondContact O-CB 3.24Å; A132-Q136 PolarHBondContact O-N 2.84Å |
| 133 | V | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 176.9 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | I39 F52 C59 I114 P129 G130 I131 N137 | I39-V133 HydrophobicContact CD1-CG2 3.78Å; F52-V133 HydrophobicContact CE2-CG2 3.69Å; F52-V133 HydrophobicContact CZ-CG2 4.22Å; C59-V133 HydrophobicContact CB-CG1 4.44Å; I114-V133 HydrophobicContact CD1-CG1 4.21Å; P129-V133 WeakPolarHBondContact O-CG2 3.47Å; P129-V133 PolarHBondContact O-N 3.45Å; G130-V133 PolarHBondContact O-N 3.49Å; I131-V133 PolarHBondContact O-N 3.48Å; V133-N137 PolarHBondContact O-N 3.01Å; V133-N137 PolarHBondContact O-ND2 3.38Å |
| 134 | F | 96.3 | Very high | 92.7 | Very high | 41 Ų | 41 | 39.6 Ų | 39.6 | 18% | 0.18 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -50.8 | 176.8 | 174.5 | -104.4 | 0 | 0 | 0 | 111.7 | L108 M112 L115 G130 I131 A132 Q136 N137 A138 | L108-F134 HydrophobicContact CD1-CE2 4.28Å; M112-F134 HydrophobicContact CB-CD2 4.48Å; M112-F134 HydrophobicContact CE-CE2 3.54Å; M112-F134 HydrophobicContact CE-CZ 3.91Å; M112-F134 HydrophobicContact SD-CD2 3.91Å; M112-F134 HydrophobicContact SD-CE2 3.47Å; M112-F134 WeakPolarHBondContact SD-CE2 3.16Å; M112-F134 HydrophobicContact SD-CZ 4.06Å; L115-F134 HydrophobicContact CB-CB 4.41Å; L115-F134 HydrophobicContact CD2-CB 4.07Å; L115-F134 HydrophobicContact CD2-CD1 4.34Å; L115-F134 HydrophobicContact CD2-CG 4.12Å; G130-F134 PolarHBondContact O-N 3.33Å; G130-F134 VanDerWaalsContact O-N 3.16Å; I131-F134 PolarHBondContact O-N 3.3Å; A132-F134 VanDerWaalsContact C-N 3.35Å; A132-F134 PolarHBondContact O-N 2.91Å; F134-Q136 VanDerWaalsContact C-N 3.34Å; F134-Q136 PolarHBondContact O-N 2.8Å; F134-N137 PolarHBondContact O-N 3.06Å; F134-A138 WeakPolarHBondContact O-CB 3.39Å; F134-A138 PolarHBondContact O-N 3.13Å |
| 135 | F | 96.3 | Very high | 93.2 | Very high | 90 Ų | 90 | 38.3 Ų | 38.3 | 40% | 0.395 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.6 | -36.5 | 179.3 | -85.9 | -72.9 | 0 | 0 | 0 | 112.7 | I38 I131 A132 N137 A138 F139 | I38-F135 HydrophobicContact CD1-CB 4.4Å; I131-F135 HydrophobicContact CG2-CD2 3.48Å; I131-F135 VanDerWaalsContact CG2-CD2 3.48Å; I131-F135 HydrophobicContact CG2-CE2 3.58Å; I131-F135 WeakPolarHBondContact O-CD2 3.02Å; I131-F135 PolarHBondContact O-N 2.71Å; A132-F135 PolarHBondContact O-N 3.43Å; F135-N137 PolarHBondContact O-N 2.69Å; F135-A138 PolarHBondContact O-N 3.09Å; F135-F139 HydrophobicContact CB-CD2 4.18Å; F135-F139 HydrophobicContact CB-CE2 3.96Å; F135-F139 HydrophobicContact CD1-CD2 4.46Å; F135-F139 AromaticContact CD1-CE2 3.72Å; F135-F139 HydrophobicContact CD1-CE2 3.72Å; F135-F139 AromaticContact CD1-CZ 3.85Å; F135-F139 HydrophobicContact CD1-CZ 3.85Å; F135-F139 HydrophobicContact CE1-CZ 4.45Å; F135-F139 HydrophobicContact CG-CE2 4.23Å; F135-F139 WeakPolarHBondContact O-CB 3.28Å; F135-F139 WeakPolarHBondContact O-CD2 3.44Å; F135-F139 WeakPolarHBondContact O-CG 3.43Å; F135-F139 PolarHBondContact O-N 3Å |
| 136 | Q | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.9 | -52.8 | 171.9 | 176.3 | -175.1 | 22.6 | 0 | 0 | 111 | G35 I39 A132 F134 F139 I140 | G35-Q136 WeakPolarHBondContact O-CB 3.33Å; G35-Q136 WeakPolarHBondContact O-CG 3.34Å; I39-Q136 HydrophobicContact CB-CB 4.42Å; I39-Q136 HydrophobicContact CB-CG 4.36Å; I39-Q136 VanDerWaalsContact CG1-OE1 3.28Å; I39-Q136 HydrophobicContact CG2-CG 4.43Å; A132-Q136 WeakPolarHBondContact O-CB 3.24Å; A132-Q136 PolarHBondContact O-N 2.84Å; F134-Q136 VanDerWaalsContact C-N 3.34Å; F134-Q136 PolarHBondContact O-N 2.8Å; Q136-F139 PolarHBondContact O-N 2.84Å; Q136-I140 HydrophobicContact CG-CD1 3.73Å; Q136-I140 WeakPolarHBondContact O-CB 3.31Å; Q136-I140 VanDerWaalsContact O-CG1 3.26Å; Q136-I140 WeakPolarHBondContact O-CG1 3.33Å; Q136-I140 PolarHBondContact O-N 3.23Å |
| 137 | N | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.1 | -41.4 | -178.6 | -82 | -92.6 | 0 | 0 | 0 | 111.8 | C59 A63 S107 L108 V133 F134 F135 F141 | C59-N137 PolarHBondContact O-OD1 3.23Å; C59-N137 PolarHBondContact SG-ND2 3.44Å; C59-N137 VanDerWaalsContact SG-ND2 3.39Å; C59-N137 PolarHBondContact SG-OD1 3.43Å; C59-N137 VanDerWaalsContact SG-OD1 3.35Å; A63-N137 WeakPolarHBondContact CB-OD1 3.15Å; S107-N137 VanDerWaalsContact CB-OD1 3.29Å; S107-N137 WeakPolarHBondContact CB-OD1 3.32Å; S107-N137 PolarHBondContact OG-OD1 3.15Å; L108-N137 HydrophobicContact CD1-CB 4.27Å; V133-N137 PolarHBondContact O-N 3.01Å; V133-N137 PolarHBondContact O-ND2 3.38Å; F134-N137 PolarHBondContact O-N 3.06Å; F135-N137 PolarHBondContact O-N 2.69Å; N137-F141 WeakPolarHBondContact O-CB 3.26Å; N137-F141 PolarHBondContact O-N 3.43Å |
| 138 | A | 96.8 | Very high | 94 | Very high | 9 Ų | 9 | 31 Ų | 31 | 7% | 0.074 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.6 | -48.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L108 F134 F135 F141 F142 | L108-A138 HydrophobicContact CD1-CB 4.17Å; F134-A138 WeakPolarHBondContact O-CB 3.39Å; F134-A138 PolarHBondContact O-N 3.13Å; F135-A138 PolarHBondContact O-N 3.09Å; A138-F141 PolarHBondContact O-N 3.47Å; A138-F142 HydrophobicContact CB-CD2 4.36Å; A138-F142 HydrophobicContact CB-CE2 4.26Å; A138-F142 WeakPolarHBondContact O-CB 3.28Å; A138-F142 WeakPolarHBondContact O-CD2 3.28Å; A138-F142 WeakPolarHBondContact O-CG 3.41Å; A138-F142 PolarHBondContact O-N 3.29Å |
| 139 | F | 97.2 | Very high | 93.7 | Very high | 56 Ų | 56 | 33.4 Ų | 33.4 | 25% | 0.246 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.8 | -39.6 | -179.6 | -70.9 | -48.4 | 0 | 0 | 0 | 112.8 | L31 I38 F135 Q136 G143 | L31-F139 HydrophobicContact CD2-CD1 3.76Å; L31-F139 HydrophobicContact CD2-CE1 4.32Å; L31-F139 WeakPolarHBondContact O-CB 3.48Å; I38-F139 HydrophobicContact CD1-CD2 3.79Å; I38-F139 HydrophobicContact CD1-CE2 3.43Å; I38-F139 VanDerWaalsContact CD1-CE2 3.43Å; F135-F139 HydrophobicContact CB-CD2 4.18Å; F135-F139 HydrophobicContact CB-CE2 3.96Å; F135-F139 HydrophobicContact CD1-CD2 4.46Å; F135-F139 AromaticContact CD1-CE2 3.72Å; F135-F139 HydrophobicContact CD1-CE2 3.72Å; F135-F139 AromaticContact CD1-CZ 3.85Å; F135-F139 HydrophobicContact CD1-CZ 3.85Å; F135-F139 HydrophobicContact CE1-CZ 4.45Å; F135-F139 HydrophobicContact CG-CE2 4.23Å; F135-F139 WeakPolarHBondContact O-CB 3.28Å; F135-F139 WeakPolarHBondContact O-CD2 3.44Å; F135-F139 WeakPolarHBondContact O-CG 3.43Å; F135-F139 PolarHBondContact O-N 3Å; Q136-F139 PolarHBondContact O-N 2.84Å; F139-G143 WeakPolarHBondContact O-CA 3.35Å; F139-G143 PolarHBondContact O-N 2.86Å |
| 140 | I | 96.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.5 | -42.6 | 174.3 | -67 | 168 | 0 | 0 | 0 | 110.7 | F32 A63 F67 Q136 G144 | F32-I140 HydrophobicContact CD2-CG1 4.07Å; F32-I140 HydrophobicContact CD2-CG2 4.29Å; F32-I140 HydrophobicContact CE2-CG1 4.33Å; F32-I140 HydrophobicContact CE2-CG2 4.39Å; A63-I140 HydrophobicContact CB-CB 4.35Å; A63-I140 HydrophobicContact CB-CD1 4.44Å; A63-I140 HydrophobicContact CB-CG2 3.94Å; A63-I140 WeakPolarHBondContact O-CG2 3.38Å; F67-I140 HydrophobicContact CB-CG2 3.93Å; Q136-I140 HydrophobicContact CG-CD1 3.73Å; Q136-I140 WeakPolarHBondContact O-CB 3.31Å; Q136-I140 VanDerWaalsContact O-CG1 3.26Å; Q136-I140 WeakPolarHBondContact O-CG1 3.33Å; Q136-I140 PolarHBondContact O-N 3.23Å; I140-G144 PolarHBondContact O-N 3.42Å |
| 141 | F | 96.1 | Very high | 92.7 | Very high | 20 Ų | 20 | 37.1 Ų | 37.1 | 9% | 0.088 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.3 | -53.8 | 177.3 | 179.4 | -94.2 | 0 | 0 | 0 | 111.5 | A104 F105 L108 N137 A138 G143 G144 L145 | A104-F141 HydrophobicContact CB-CD2 3.76Å; A104-F141 HydrophobicContact CB-CE2 3.92Å; F105-F141 AromaticContact CD1-CE2 3.94Å; F105-F141 HydrophobicContact CD1-CE2 3.94Å; F105-F141 AromaticContact CD1-CZ 3.99Å; F105-F141 HydrophobicContact CD1-CZ 3.99Å; F105-F141 HydrophobicContact CE1-CE1 4.45Å; F105-F141 AromaticContact CE1-CE2 3.83Å; F105-F141 HydrophobicContact CE1-CE2 3.83Å; F105-F141 AromaticContact CE1-CZ 3.43Å; F105-F141 HydrophobicContact CE1-CZ 3.43Å; F105-F141 VanDerWaalsContact CE1-CZ 3.43Å; F105-F141 HydrophobicContact CG-CE2 4.36Å; F105-F141 HydrophobicContact CZ-CE2 4.13Å; F105-F141 AromaticContact CZ-CZ 3.76Å; F105-F141 HydrophobicContact CZ-CZ 3.76Å; L108-F141 HydrophobicContact CD2-CD1 4.36Å; L108-F141 HydrophobicContact CD2-CG 4.42Å; N137-F141 WeakPolarHBondContact O-CB 3.26Å; N137-F141 PolarHBondContact O-N 3.43Å; A138-F141 PolarHBondContact O-N 3.47Å; F141-G143 PolarHBondContact O-N 3.42Å; F141-G144 WeakPolarHBondContact O-CA 3.46Å; F141-G144 PolarHBondContact O-N 3.34Å; F141-G144 VanDerWaalsContact O-N 3.12Å; F141-L145 HydrophobicContact CD1-CD1 4.08Å; F141-L145 HydrophobicContact CD1-CG 4.35Å; F141-L145 HydrophobicContact CE1-CD1 3.39Å; F141-L145 HydrophobicContact CE1-CG 3.99Å; F141-L145 HydrophobicContact CZ-CD1 3.81Å; F141-L145 HydrophobicContact CZ-CD2 4.31Å; F141-L145 HydrophobicContact CZ-CG 4.22Å; F141-L145 WeakPolarHBondContact O-CG 3.49Å; F141-L145 PolarHBondContact O-N 2.89Å |
| 142 | F | 95.3 | Very high | 91.6 | Very high | 109 Ų | 109 | 35.2 Ų | 35.2 | 48% | 0.478 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.5 | -39.8 | 179.5 | -70.9 | -57.4 | 0 | 0 | 0 | 112.2 | A138 G144 L145 V146 | A138-F142 HydrophobicContact CB-CD2 4.36Å; A138-F142 HydrophobicContact CB-CE2 4.26Å; A138-F142 WeakPolarHBondContact O-CB 3.28Å; A138-F142 WeakPolarHBondContact O-CD2 3.28Å; A138-F142 WeakPolarHBondContact O-CG 3.41Å; A138-F142 PolarHBondContact O-N 3.29Å; F142-G144 PolarHBondContact O-N 3.28Å; F142-L145 PolarHBondContact O-N 3.41Å; F142-V146 WeakPolarHBondContact O-CB 3.43Å; F142-V146 VanDerWaalsContact O-CG2 3.26Å; F142-V146 WeakPolarHBondContact O-CG2 3.42Å; F142-V146 PolarHBondContact O-N 3.3Å |
| 143 | G | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.3 | -39.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A28 F139 F141 V146 F147 | A28-G143 VanDerWaalsContact CB-O 3.28Å; A28-G143 WeakPolarHBondContact CB-O 3.47Å; F139-G143 WeakPolarHBondContact O-CA 3.35Å; F139-G143 PolarHBondContact O-N 2.86Å; F141-G143 PolarHBondContact O-N 3.42Å; G143-V146 PolarHBondContact O-N 2.9Å; G143-F147 WeakPolarHBondContact O-CB 3.37Å; G143-F147 PolarHBondContact O-N 3.21Å |
| 144 | G | 92.7 | Very high | 88.3 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F67 N71 I140 F141 F142 F147 K148 | F67-G144 VanDerWaalsContact CE2-CA 3.45Å; N71-G144 PolarHBondContact OD1-O 3.43Å; I140-G144 PolarHBondContact O-N 3.42Å; F141-G144 WeakPolarHBondContact O-CA 3.46Å; F141-G144 PolarHBondContact O-N 3.34Å; F141-G144 VanDerWaalsContact O-N 3.12Å; F142-G144 PolarHBondContact O-N 3.28Å; G144-F147 PolarHBondContact O-N 3.34Å; G144-K148 VanDerWaalsContact O-CB 3.28Å; G144-K148 WeakPolarHBondContact O-CB 3.14Å; G144-K148 PolarHBondContact O-N 3.24Å |
| 145 | L | 91.9 | Very high | 86 | Confident | 42 Ų | 42 | 44.3 Ų | 44.3 | 22% | 0.22 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | 176.9 | -62 | -169 | 0 | 0 | 0 | 112.2 | F101 F141 F142 F147 K148 F149 | F101-L145 HydrophobicContact CE1-CD2 3.78Å; F141-L145 HydrophobicContact CD1-CD1 4.08Å; F141-L145 HydrophobicContact CD1-CG 4.35Å; F141-L145 HydrophobicContact CE1-CD1 3.39Å; F141-L145 HydrophobicContact CE1-CG 3.99Å; F141-L145 HydrophobicContact CZ-CD1 3.81Å; F141-L145 HydrophobicContact CZ-CD2 4.31Å; F141-L145 HydrophobicContact CZ-CG 4.22Å; F141-L145 WeakPolarHBondContact O-CG 3.49Å; F141-L145 PolarHBondContact O-N 2.89Å; F142-L145 PolarHBondContact O-N 3.41Å; L145-F147 VanDerWaalsContact C-N 3.33Å; L145-F147 PolarHBondContact O-N 3.28Å; L145-K148 PolarHBondContact O-N 3.39Å; L145-F149 HydrophobicContact CB-CD2 4.25Å; L145-F149 HydrophobicContact CD2-CD2 4.47Å; L145-F149 HydrophobicContact CD2-CE2 3.97Å; L145-F149 WeakPolarHBondContact O-CB 3.29Å; L145-F149 WeakPolarHBondContact O-CD2 3.28Å; L145-F149 PolarHBondContact O-N 3.37Å |
| 146 | V | 92.1 | Very high | 83.7 | Confident | 53 Ų | 53 | 52.2 Ų | 52.2 | 32% | 0.321 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 176.8 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | A27 A28 L31 F142 G143 G150 | A27-V146 HydrophobicContact CB-CG1 4.04Å; A28-V146 HydrophobicContact CB-CG1 4.39Å; L31-V146 HydrophobicContact CD1-CG2 4.15Å; F142-V146 WeakPolarHBondContact O-CB 3.43Å; F142-V146 VanDerWaalsContact O-CG2 3.26Å; F142-V146 WeakPolarHBondContact O-CG2 3.42Å; F142-V146 PolarHBondContact O-N 3.3Å; G143-V146 PolarHBondContact O-N 2.9Å; V146-G150 WeakPolarHBondContact O-CA 3.39Å; V146-G150 PolarHBondContact O-N 3.49Å |
| 147 | F | 90.1 | Very high | 80.7 | Confident | 64 Ų | 64 | 64.5 Ų | 64.5 | 28% | 0.281 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 176.7 | -164.4 | -97.7 | 0 | 0 | 0 | 112.4 | A28 N71 G143 G144 L145 R151 | A28-F147 HydrophobicContact CB-CB 3.64Å; A28-F147 HydrophobicContact CB-CD2 3.88Å; A28-F147 HydrophobicContact CB-CG 4.25Å; N71-F147 HydrophobicContact CB-CD1 3.66Å; N71-F147 HydrophobicContact CB-CE1 4.06Å; N71-F147 VanDerWaalsContact CG-CD1 3.49Å; N71-F147 VanDerWaalsContact OD1-CD1 3.28Å; N71-F147 WeakPolarHBondContact OD1-CD1 3.3Å; G143-F147 WeakPolarHBondContact O-CB 3.37Å; G143-F147 PolarHBondContact O-N 3.21Å; G144-F147 PolarHBondContact O-N 3.34Å; L145-F147 VanDerWaalsContact C-N 3.33Å; L145-F147 PolarHBondContact O-N 3.28Å; F147-R151 VanDerWaalsContact O-CB 3.32Å; F147-R151 WeakPolarHBondContact O-CB 3.49Å |
| 148 | K | 88.3 | Confident | 79.9 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.5 | -46 | -176.4 | -175.3 | 59.3 | 170.6 | -176.6 | 0 | 112.8 | I70 N71 V73 N75 G144 L145 | I70-K148 HydrophobicContact CG2-CB 4.11Å; I70-K148 HydrophobicContact CG2-CD 3.99Å; I70-K148 HydrophobicContact CG2-CG 3.85Å; I70-K148 WeakPolarHBondContact O-CE 3.33Å; I70-K148 PolarHBondContact O-NZ 3.34Å; I70-K148 VanDerWaalsContact O-NZ 3.11Å; N71-K148 WeakPolarHBondContact OD1-CA 3.07Å; N71-K148 WeakPolarHBondContact OD1-CB 3.28Å; N71-K148 PolarHBondContact OD1-N 2.87Å; V73-K148 PolarHBondContact O-NZ 3.42Å; N75-K148 PolarHBondContact ND2-O 3.04Å; N75-K148 VanDerWaalsContact ND2-O 3.16Å; N75-K148 WeakPolarHBondContact OD1-CE 3.24Å; N75-K148 PolarHBondContact OD1-NZ 3.35Å; G144-K148 VanDerWaalsContact O-CB 3.28Å; G144-K148 WeakPolarHBondContact O-CB 3.14Å; G144-K148 PolarHBondContact O-N 3.24Å; L145-K148 PolarHBondContact O-N 3.39Å |
| 149 | F | 85.4 | Confident | 79 | Confident | 143 Ų | 143 | 70.8 Ų | 70.8 | 63% | 0.627 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -99.2 | -22.8 | -174 | -61.9 | -55.1 | 0 | 0 | 0 | 113.9 | F101 L145 | F101-F149 HydrophobicContact CZ-CZ 4.39Å; L145-F149 HydrophobicContact CB-CD2 4.25Å; L145-F149 HydrophobicContact CD2-CD2 4.47Å; L145-F149 HydrophobicContact CD2-CE2 3.97Å; L145-F149 WeakPolarHBondContact O-CB 3.29Å; L145-F149 WeakPolarHBondContact O-CD2 3.28Å; L145-F149 PolarHBondContact O-N 3.37Å |
| 150 | G | 80.2 | Confident | 78 | Confident | 21 Ų | 21 | 71.7 Ų | 71.7 | 22% | 0.216 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -74.6 | -28.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | R20 V146 | R20-G150 VanDerWaalsContact CG-O 3.31Å; R20-G150 WeakPolarHBondContact CG-O 3.43Å; V146-G150 WeakPolarHBondContact O-CA 3.39Å; V146-G150 PolarHBondContact O-N 3.49Å |
| 151 | R | 80.1 | Confident | 76.9 | Confident | 56 Ų | 56 | 75.8 Ų | 75.8 | 21% | 0.211 | 36% | 0.355 | C | S | . | . | trans | -73.6 | 128.4 | 173.4 | 161 | 173 | 52 | 153.7 | -15.2 | 110.9 | N21 N71 F147 E153 | N21-R151 WeakPolarHBondContact OD1-CA 3.26Å; N71-R151 PolarHBondContact O-NH2 2.95Å; F147-R151 VanDerWaalsContact O-CB 3.32Å; F147-R151 WeakPolarHBondContact O-CB 3.49Å; R151-E153 HydrophobicContact CG-CG 3.91Å; R151-E153 IonicContact CZ-OE1 3.28Å; R151-E153 VanDerWaalsContact CZ-OE1 3.28Å; R151-E153 IonicContact NE-OE1 3.69Å; R151-E153 IonicContact NH1-OE1 2.68Å; R151-E153 PolarHBondContact NH1-OE1 3.46Å | ||
| 152 | T | 72.1 | Confident | 75.7 | Confident | 26 Ų | 26 | 79.3 Ų | 79.3 | 16% | 0.16 | 37% | 0.372 | C | S | . | . | trans | -97.3 | 125.2 | 158.5 | 34.8 | 0 | 0 | 0 | 0 | 109.7 | R20 N21 D154 | R20-T152 VanDerWaalsContact CZ-OG1 3.32Å; R20-T152 PolarHBondContact NE-OG1 2.97Å; R20-T152 VanDerWaalsContact NE-OG1 3.17Å; R20-T152 PolarHBondContact NH2-OG1 3.33Å; N21-T152 PolarHBondContact ND2-O 3.48Å; N21-T152 PolarHBondContact OD1-N 3.42Å; N21-T152 PolarHBondContact OD1-O 3.32Å; N21-T152 PolarHBondContact OD1-OG1 2.85Å; T152-D154 VanDerWaalsContact CG2-OD1 3.28Å; T152-D154 WeakPolarHBondContact CG2-OD1 3.41Å | ||
| 153 | E | 64.9 | Low | 74.4 | Confident | 48 Ų | 48 | 77.3 Ų | 77.3 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | trans | -94.2 | 97.7 | 169.7 | -63.5 | 177.6 | 172.1 | 0 | 0 | 105.9 | S74 N75 G76 R151 L155 | S74-E153 VanDerWaalsContact CA-OE1 3.26Å; S74-E153 WeakPolarHBondContact CA-OE1 3.32Å; S74-E153 WeakPolarHBondContact CB-OE1 3.33Å; S74-E153 VanDerWaalsContact CB-OE2 3.3Å; S74-E153 WeakPolarHBondContact CB-OE2 3.17Å; N75-E153 WeakPolarHBondContact CA-OE2 3.41Å; N75-E153 WeakPolarHBondContact CB-OE2 3.37Å; N75-E153 VanDerWaalsContact N-CD 3.27Å; N75-E153 PolarHBondContact N-OE1 3.04Å; N75-E153 PolarHBondContact N-OE2 2.82Å; G76-E153 PolarHBondContact N-OE2 2.95Å; R151-E153 HydrophobicContact CG-CG 3.91Å; R151-E153 IonicContact CZ-OE1 3.28Å; R151-E153 VanDerWaalsContact CZ-OE1 3.28Å; R151-E153 IonicContact NE-OE1 3.69Å; R151-E153 IonicContact NH1-OE1 2.68Å; R151-E153 PolarHBondContact NH1-OE1 3.46Å; E153-L155 VanDerWaalsContact C-N 3.32Å; E153-L155 PolarHBondContact O-N 2.87Å | ||
| 154 | D | 54.4 | Low | 73 | Confident | 108 Ų | 108 | 82.9 Ų | 82.9 | 58% | 0.578 | 39% | 0.391 | S | S | * | . | trans | -67.6 | 102.6 | 165.5 | -64.3 | -44.2 | 0 | 0 | 0 | 105.9 | T152 W156 | T152-D154 VanDerWaalsContact CG2-OD1 3.28Å; T152-D154 WeakPolarHBondContact CG2-OD1 3.41Å; D154-W156 PolarHBondContact O-N 3.39Å; D154-W156 VanDerWaalsContact O-N 3.09Å | ||
| 155 | L | 48.8 | Very low | 71.5 | Confident | 77 Ų | 77 | 88.9 Ų | 88.9 | 40% | 0.403 | 42% | 0.418 | S | S | . | . | trans | -62.2 | 109.8 | 165 | -80.1 | 146.7 | 0 | 0 | 0 | 104.9 | D81 E153 Q157 | D81-L155 HydrophobicContact CB-CD1 3.7Å; D81-L155 HydrophobicContact CB-CD2 4.24Å; D81-L155 WeakPolarHBondContact OD2-CD1 3.33Å; E153-L155 VanDerWaalsContact C-N 3.32Å; E153-L155 PolarHBondContact O-N 2.87Å; L155-Q157 VanDerWaalsContact C-N 3.3Å; L155-Q157 PolarHBondContact O-N 2.99Å | ||
| 156 | W | 46.5 | Very low | 69.8 | Low | 255 Ų | 255 | 92.8 Ų | 92.8 | 97% | 0.966 | 44% | 0.435 | S | S | * | . | trans | -51.1 | 100.6 | 165.7 | -66.2 | 92 | 0 | 0 | 0 | 107.6 | D154 | D154-W156 PolarHBondContact O-N 3.39Å; D154-W156 VanDerWaalsContact O-N 3.09Å | ||
| 157 | Q | 34.7 | Very low | 67.8 | Low | 259 Ų | 259 | 96.5 Ų | 96.5 | 100% | 1.21 | 45% | 0.445 | S | S | * | . | trans | -79.7 | 0 | 163.5 | -69.1 | -164 | -58.3 | 0 | 0 | 108.7 | L155 | L155-Q157 VanDerWaalsContact C-N 3.3Å; L155-Q157 PolarHBondContact O-N 2.99Å |
Retrieved 157 of 157 residues in 57.3 ms
(Link to these results)