| 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 | 43.8 | Very low | 55.6 | Low | 223 Ų | 223 | 119.2 Ų | 119.2 | 100% | 1.099 | 61% | 0.612 | S | S | * | * | 0 | 5.7 | 0 | -105.5 | 179.4 | -106.4 | 0 | 0 | 114.7 | N5 | M1-N5 PolarHBondContact O-ND2 3.28Š| |||
| 2 | G | 54 | Low | 57 | Low | 49 Ų | 49 | 116.5 Ų | 116.5 | 51% | 0.505 | 60% | 0.6 | S | S | . | * | trans | -91.5 | -40.2 | -175 | 0 | 0 | 0 | 0 | 0 | 116.2 | W4 N5 V6 | G2-W4 PolarHBondContact O-N 3.45Å; G2-N5 PolarHBondContact O-N 3.5Å; G2-V6 WeakPolarHBondContact O-CG2 3.39Å; G2-V6 PolarHBondContact O-N 2.8Å | ||
| 3 | L | 43.8 | Very low | 58.1 | Low | 145 Ų | 145 | 121.5 Ų | 121.5 | 76% | 0.759 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.2 | -40.4 | -173.4 | -86.2 | 159 | 0 | 0 | 0 | 113.8 | N5 V6 F7 | L3-N5 VanDerWaalsContact C-N 3.31Å; L3-N5 PolarHBondContact O-N 2.62Å; L3-V6 PolarHBondContact O-N 2.88Å; L3-F7 WeakPolarHBondContact O-CB 3.37Å; L3-F7 PolarHBondContact O-N 3.5Å |
| 4 | W | 45.7 | Very low | 58.7 | Low | 209 Ų | 209 | 116.3 Ų | 116.3 | 79% | 0.792 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.1 | -36.8 | 179.1 | -71.9 | 105 | 0 | 0 | 0 | 112.6 | G2 F7 T8 | G2-W4 PolarHBondContact O-N 3.45Å; W4-F7 PolarHBondContact O-N 3.45Å; W4-T8 WeakPolarHBondContact O-CG2 3.27Å; W4-T8 PolarHBondContact O-N 3.35Å; W4-T8 PolarHBondContact O-OG1 3.25Å |
| 5 | N | 54.7 | Low | 59.6 | Low | 106 Ų | 106 | 112.6 Ų | 112.6 | 57% | 0.567 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.4 | -33.5 | 177.5 | -80.4 | -32.3 | 0 | 0 | 0 | 113.3 | M1 G2 L3 T8 S9 | M1-N5 PolarHBondContact O-ND2 3.28Å; G2-N5 PolarHBondContact O-N 3.5Å; L3-N5 VanDerWaalsContact C-N 3.31Å; L3-N5 PolarHBondContact O-N 2.62Å; N5-T8 VanDerWaalsContact CA-OG1 3.31Å; N5-T8 WeakPolarHBondContact CA-OG1 3.36Å; N5-T8 PolarHBondContact O-OG1 2.8Å; N5-S9 WeakPolarHBondContact O-CB 3.48Å; N5-S9 PolarHBondContact O-N 2.91Å; N5-S9 PolarHBondContact O-OG 3.41Å; N5-S9 VanDerWaalsContact O-OG 3.08Å |
| 6 | V | 57.1 | Low | 60.5 | Low | 67 Ų | 67 | 116.2 Ų | 116.2 | 41% | 0.406 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.7 | -44.2 | 173.9 | 175.2 | 0 | 0 | 0 | 0 | 109.7 | G2 L3 T8 S9 I10 | G2-V6 WeakPolarHBondContact O-CG2 3.39Å; G2-V6 PolarHBondContact O-N 2.8Å; L3-V6 PolarHBondContact O-N 2.88Å; V6-T8 PolarHBondContact O-N 3.27Å; V6-S9 PolarHBondContact O-N 3.25Å; V6-I10 HydrophobicContact CG1-CD1 3.76Å; V6-I10 HydrophobicContact CG1-CG1 4.43Å; V6-I10 VanDerWaalsContact O-CG1 3.26Å; V6-I10 WeakPolarHBondContact O-CG1 3.28Å; V6-I10 PolarHBondContact O-N 2.85Å |
| 7 | F | 50.9 | Low | 60.9 | Low | 151 Ų | 151 | 117.3 Ų | 117.3 | 66% | 0.662 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.6 | -42.6 | 178.9 | -135.4 | -88.8 | 0 | 0 | 0 | 112.1 | L3 W4 I10 K11 | L3-F7 WeakPolarHBondContact O-CB 3.37Å; L3-F7 PolarHBondContact O-N 3.5Å; W4-F7 PolarHBondContact O-N 3.45Å; F7-I10 PolarHBondContact O-N 3.03Å; F7-K11 WeakPolarHBondContact O-CB 3.33Å; F7-K11 PolarHBondContact O-N 3.38Å |
| 8 | T | 64.2 | Low | 61.2 | Low | 65 Ų | 65 | 112.7 Ų | 112.7 | 40% | 0.399 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.5 | -42.7 | 175.2 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | W4 N5 V6 I10 K11 D12 | W4-T8 WeakPolarHBondContact O-CG2 3.27Å; W4-T8 PolarHBondContact O-N 3.35Å; W4-T8 PolarHBondContact O-OG1 3.25Å; N5-T8 VanDerWaalsContact CA-OG1 3.31Å; N5-T8 WeakPolarHBondContact CA-OG1 3.36Å; N5-T8 PolarHBondContact O-OG1 2.8Å; V6-T8 PolarHBondContact O-N 3.27Å; T8-I10 VanDerWaalsContact C-N 3.34Å; T8-I10 PolarHBondContact O-N 3.41Å; T8-K11 WeakPolarHBondContact O-CB 3.48Å; T8-K11 PolarHBondContact O-N 2.83Å; T8-D12 WeakPolarHBondContact O-CB 3.39Å; T8-D12 PolarHBondContact O-N 3.41Å |
| 9 | S | 62 | Low | 61.6 | Low | 67 Ų | 67 | 112.5 Ų | 112.5 | 47% | 0.469 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.8 | -39.3 | 176 | -75.3 | 0 | 0 | 0 | 0 | 113.3 | N5 V6 R13 | N5-S9 WeakPolarHBondContact O-CB 3.48Å; N5-S9 PolarHBondContact O-N 2.91Å; N5-S9 PolarHBondContact O-OG 3.41Å; N5-S9 VanDerWaalsContact O-OG 3.08Å; V6-S9 PolarHBondContact O-N 3.25Å; S9-R13 WeakPolarHBondContact O-CG 3.29Å; S9-R13 PolarHBondContact O-N 3.39Å |
| 10 | I | 65.9 | Low | 62.3 | Low | 105 Ų | 105 | 112.7 Ų | 112.7 | 54% | 0.538 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.4 | -44.1 | 176.1 | -68.2 | 167.7 | 0 | 0 | 0 | 110 | V6 F7 T8 D12 R13 A14 | V6-I10 HydrophobicContact CG1-CD1 3.76Å; V6-I10 HydrophobicContact CG1-CG1 4.43Å; V6-I10 VanDerWaalsContact O-CG1 3.26Å; V6-I10 WeakPolarHBondContact O-CG1 3.28Å; V6-I10 PolarHBondContact O-N 2.85Å; F7-I10 PolarHBondContact O-N 3.03Å; T8-I10 VanDerWaalsContact C-N 3.34Å; T8-I10 PolarHBondContact O-N 3.41Å; I10-D12 PolarHBondContact O-N 2.85Å; I10-R13 PolarHBondContact O-N 3.35Å; I10-A14 WeakPolarHBondContact O-CB 3.42Å; I10-A14 PolarHBondContact O-N 3.04Å |
| 11 | K | 69.2 | Low | 62.1 | Low | 124 Ų | 124 | 117.4 Ų | 117.4 | 54% | 0.539 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -58.2 | -47.4 | 175.5 | -174.7 | -176.9 | 175.5 | -173.7 | 0 | 111.3 | F7 T8 R13 A14 E15 | F7-K11 WeakPolarHBondContact O-CB 3.33Å; F7-K11 PolarHBondContact O-N 3.38Å; T8-K11 WeakPolarHBondContact O-CB 3.48Å; T8-K11 PolarHBondContact O-N 2.83Å; K11-R13 VanDerWaalsContact C-N 3.32Å; K11-R13 PolarHBondContact O-N 3.43Å; K11-A14 PolarHBondContact O-N 3.01Å; K11-E15 WeakPolarHBondContact O-CG 3.36Å; K11-E15 PolarHBondContact O-N 3.38Å |
| 12 | D | 72.7 | Confident | 63.1 | Low | 87 Ų | 87 | 110.7 Ų | 110.7 | 47% | 0.465 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.8 | -31.5 | -179.9 | -79.2 | -30.9 | 0 | 0 | 0 | 113.3 | T8 I10 R16 | T8-D12 WeakPolarHBondContact O-CB 3.39Å; T8-D12 PolarHBondContact O-N 3.41Å; I10-D12 PolarHBondContact O-N 2.85Å; D12-R16 PolarHBondContact O-N 3.41Å; D12-R16 VanDerWaalsContact O-N 3.15Å; D12-R16 PolarHBondContact O-NE 2.8Å |
| 13 | R | 71.5 | Confident | 64 | Low | 182 Ų | 182 | 113.5 Ų | 113.5 | 69% | 0.687 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.3 | -44.3 | 172 | -76.6 | 180 | -179.8 | -153.1 | -0.1 | 111.5 | S9 I10 K11 E15 R16 F17 | S9-R13 WeakPolarHBondContact O-CG 3.29Å; S9-R13 PolarHBondContact O-N 3.39Å; I10-R13 PolarHBondContact O-N 3.35Å; K11-R13 VanDerWaalsContact C-N 3.32Å; K11-R13 PolarHBondContact O-N 3.43Å; R13-E15 VanDerWaalsContact C-N 3.32Å; R13-E15 PolarHBondContact O-N 3.08Å; R13-R16 PolarHBondContact O-N 3.49Å; R13-F17 WeakPolarHBondContact O-CB 3.49Å; R13-F17 PolarHBondContact O-N 3.03Å |
| 14 | A | 65.9 | Low | 65.1 | Low | 48 Ų | 48 | 111 Ų | 111 | 40% | 0.397 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I10 K11 F17 L18 | I10-A14 WeakPolarHBondContact O-CB 3.42Å; I10-A14 PolarHBondContact O-N 3.04Å; K11-A14 PolarHBondContact O-N 3.01Å; A14-F17 PolarHBondContact O-N 2.92Å; A14-L18 WeakPolarHBondContact O-CB 3.32Å; A14-L18 VanDerWaalsContact O-CG 3.31Å; A14-L18 WeakPolarHBondContact O-CG 3.28Å; A14-L18 PolarHBondContact O-N 2.99Å |
| 15 | E | 72.3 | Confident | 66.3 | Low | 61 Ų | 61 | 102.1 Ų | 102.1 | 29% | 0.285 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 176.1 | -72.5 | -159.5 | 178.9 | 0 | 0 | 113 | K11 R13 N19 K40 | K11-E15 WeakPolarHBondContact O-CG 3.36Å; K11-E15 PolarHBondContact O-N 3.38Å; R13-E15 VanDerWaalsContact C-N 3.32Å; R13-E15 PolarHBondContact O-N 3.08Å; E15-N19 PolarHBondContact O-N 2.78Å; E15-K40 IonicContact OE1-NZ 2.8Å; E15-K40 PolarHBondContact OE1-NZ 3.49Å; E15-K40 IonicContact OE2-NZ 2.85Å; E15-K40 PolarHBondContact OE2-NZ 2.98Å |
| 16 | R | 73.9 | Confident | 67.4 | Low | 170 Ų | 170 | 102.4 Ų | 102.4 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -47.2 | 171.4 | -98.7 | 179.8 | -74.7 | 178.3 | -9.3 | 112 | D12 R13 L18 N19 E20 | D12-R16 PolarHBondContact O-N 3.41Å; D12-R16 VanDerWaalsContact O-N 3.15Å; D12-R16 PolarHBondContact O-NE 2.8Å; R13-R16 PolarHBondContact O-N 3.49Å; R16-L18 VanDerWaalsContact C-N 3.28Å; R16-L18 PolarHBondContact O-N 3.36Å; R16-N19 CarbonylContact O-C 3.49Å; R16-N19 PolarHBondContact O-N 3.01Å; R16-E20 PolarHBondContact O-N 3.42Å |
| 17 | F | 67.7 | Low | 68.3 | Low | 135 Ų | 135 | 102.9 Ų | 102.9 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.5 | -33.9 | -179.3 | -142.6 | -92.5 | 0 | 0 | 0 | 112.5 | R13 A14 N19 | R13-F17 WeakPolarHBondContact O-CB 3.49Å; R13-F17 PolarHBondContact O-N 3.03Å; A14-F17 PolarHBondContact O-N 2.92Å; F17-N19 VanDerWaalsContact C-N 3.28Å; F17-N19 PolarHBondContact O-N 2.89Å |
| 18 | L | 66.4 | Low | 69.4 | Low | 34 Ų | 34 | 96.7 Ų | 96.7 | 18% | 0.178 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -11.9 | 174.5 | -75.5 | 170.3 | 0 | 0 | 0 | 114.3 | A14 R16 T25 L28 K39 K40 A43 | A14-L18 WeakPolarHBondContact O-CB 3.32Å; A14-L18 VanDerWaalsContact O-CG 3.31Å; A14-L18 WeakPolarHBondContact O-CG 3.28Å; A14-L18 PolarHBondContact O-N 2.99Å; R16-L18 VanDerWaalsContact C-N 3.28Å; R16-L18 PolarHBondContact O-N 3.36Å; L18-T25 VanDerWaalsContact O-CG2 3.26Å; L18-T25 WeakPolarHBondContact O-CG2 3.33Å; L18-L28 HydrophobicContact CD2-CD2 3.82Å; L18-K39 PolarHBondContact O-NZ 3.45Å; L18-K39 VanDerWaalsContact O-NZ 3.08Å; L18-K40 HydrophobicContact CD1-CG 4.29Å; L18-A43 HydrophobicContact CD1-CB 4.25Å; L18-A43 HydrophobicContact CD2-CB 3.89Å |
| 19 | N | 68.8 | Low | 70 | Confident | 109 Ų | 109 | 94.9 Ų | 94.9 | 58% | 0.583 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -9.6 | 175.2 | -84.4 | -22.3 | 0 | 0 | 0 | 113 | E15 R16 F17 K39 | E15-N19 PolarHBondContact O-N 2.78Å; R16-N19 CarbonylContact O-C 3.49Å; R16-N19 PolarHBondContact O-N 3.01Å; F17-N19 VanDerWaalsContact C-N 3.28Å; F17-N19 PolarHBondContact O-N 2.89Å; N19-K39 PolarHBondContact OD1-NZ 3.41Å |
| 20 | E | 74.7 | Confident | 70.8 | Confident | 116 Ų | 116 | 98.5 Ų | 98.5 | 54% | 0.542 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -79.1 | 131.2 | 175.4 | -165 | 156.2 | -161.8 | 0 | 0 | 109.9 | R16 N22 T25 | R16-E20 PolarHBondContact O-N 3.42Å; E20-N22 PolarHBondContact O-N 2.76Å; E20-T25 WeakPolarHBondContact O-CG2 3.37Å; E20-T25 PolarHBondContact O-OG1 2.67Å |
| 21 | K | 57.9 | Low | 71.3 | Confident | 212 Ų | 212 | 97.1 Ų | 97.1 | 92% | 0.922 | 48% | 0.481 | S | S | * | . | trans | -71.3 | 95.1 | -180 | -78.5 | -172.1 | 175.8 | -174.2 | 0 | 110 | ||||
| 22 | N | 66.6 | Low | 71.8 | Confident | 83 Ų | 83 | 94.1 Ų | 94.1 | 44% | 0.444 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -129.2 | 169.7 | 174.8 | -145 | -24 | 0 | 0 | 0 | 111 | E20 V24 T25 D26 | E20-N22 PolarHBondContact O-N 2.76Å; N22-V24 PolarHBondContact O-N 3.28Å; N22-V24 VanDerWaalsContact O-N 3.14Å; N22-T25 PolarHBondContact N-OG1 2.75Å; N22-T25 PolarHBondContact O-N 2.9Å; N22-T25 VanDerWaalsContact O-N 3.07Å; N22-T25 PolarHBondContact O-OG1 3.3Å; N22-D26 PolarHBondContact O-N 2.85Å; N22-D26 VanDerWaalsContact O-N 3.08Å |
| 23 | V | 71.3 | Confident | 72.2 | Confident | 108 Ų | 108 | 98 Ų | 98 | 66% | 0.655 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -55.4 | -36.3 | -179 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | D26 V27 | V23-D26 PolarHBondContact O-N 3.48Å; V23-V27 WeakPolarHBondContact O-CG2 3.26Å; V23-V27 PolarHBondContact O-N 3.5Å |
| 24 | V | 67.3 | Low | 72.7 | Confident | 92 Ų | 92 | 98.4 Ų | 98.4 | 56% | 0.558 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.2 | -43.7 | 178.5 | -180 | 0 | 0 | 0 | 0 | 112 | N22 D26 V27 L28 | N22-V24 PolarHBondContact O-N 3.28Å; N22-V24 VanDerWaalsContact O-N 3.14Å; V24-D26 VanDerWaalsContact C-N 3.31Å; V24-D26 PolarHBondContact O-N 3.38Å; V24-V27 PolarHBondContact O-N 2.91Å; V24-L28 HydrophobicContact CG1-CD1 4.26Å; V24-L28 WeakPolarHBondContact O-CB 3.4Å; V24-L28 WeakPolarHBondContact O-CD1 3.07Å; V24-L28 PolarHBondContact O-N 2.79Å |
| 25 | T | 70.6 | Confident | 73.2 | Confident | 22 Ų | 22 | 99.7 Ų | 99.7 | 14% | 0.135 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -69.9 | -28.9 | 176.6 | 39.8 | 0 | 0 | 0 | 0 | 112.7 | L18 E20 N22 L28 G29 | L18-T25 VanDerWaalsContact O-CG2 3.26Å; L18-T25 WeakPolarHBondContact O-CG2 3.33Å; E20-T25 WeakPolarHBondContact O-CG2 3.37Å; E20-T25 PolarHBondContact O-OG1 2.67Å; N22-T25 PolarHBondContact N-OG1 2.75Å; N22-T25 PolarHBondContact O-N 2.9Å; N22-T25 VanDerWaalsContact O-N 3.07Å; N22-T25 PolarHBondContact O-OG1 3.3Å; T25-L28 PolarHBondContact O-N 2.91Å; T25-G29 PolarHBondContact O-N 3.38Å |
| 26 | D | 77.4 | Confident | 73.4 | Confident | 112 Ų | 112 | 100.2 Ų | 100.2 | 60% | 0.599 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -71.8 | -40.3 | 176.8 | -132.8 | 32.5 | 0 | 0 | 0 | 111 | N22 V23 V24 G29 K30 | N22-D26 PolarHBondContact O-N 2.85Å; N22-D26 VanDerWaalsContact O-N 3.08Å; V23-D26 PolarHBondContact O-N 3.48Å; V24-D26 VanDerWaalsContact C-N 3.31Å; V24-D26 PolarHBondContact O-N 3.38Å; D26-G29 PolarHBondContact O-N 3.33Å; D26-K30 PolarHBondContact O-N 3.47Å |
| 27 | V | 77.8 | Confident | 73.6 | Confident | 77 Ų | 77 | 96.1 Ų | 96.1 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 170.8 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | V23 V24 G29 K30 L31 | V23-V27 WeakPolarHBondContact O-CG2 3.26Å; V23-V27 PolarHBondContact O-N 3.5Å; V24-V27 PolarHBondContact O-N 2.91Å; V27-G29 VanDerWaalsContact C-N 3.32Å; V27-G29 PolarHBondContact O-N 3.5Å; V27-K30 PolarHBondContact O-N 2.7Å; V27-L31 HydrophobicContact CG1-CD1 4.07Å; V27-L31 WeakPolarHBondContact O-CB 3.24Å; V27-L31 WeakPolarHBondContact O-CG 3.25Å; V27-L31 PolarHBondContact O-N 3.15Å |
| 28 | L | 73.9 | Confident | 74.1 | Confident | 21 Ų | 21 | 97.1 Ų | 97.1 | 11% | 0.11 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -64 | -36.9 | 174.5 | -103.9 | 66.5 | 0 | 0 | 0 | 112.2 | L18 V24 T25 L31 E32 K39 A43 | L18-L28 HydrophobicContact CD2-CD2 3.82Å; V24-L28 HydrophobicContact CG1-CD1 4.26Å; V24-L28 WeakPolarHBondContact O-CB 3.4Å; V24-L28 WeakPolarHBondContact O-CD1 3.07Å; V24-L28 PolarHBondContact O-N 2.79Å; T25-L28 PolarHBondContact O-N 2.91Å; L28-L31 PolarHBondContact O-N 3.48Å; L28-E32 VanDerWaalsContact O-CB 3.29Å; L28-E32 WeakPolarHBondContact O-CB 3.23Å; L28-E32 PolarHBondContact O-N 3.26Å; L28-K39 HydrophobicContact CB-CB 4.3Å; L28-K39 HydrophobicContact CD2-CB 4.2Å; L28-A43 HydrophobicContact CD2-CB 3.89Å |
| 29 | G | 75.6 | Confident | 74.4 | Confident | 28 Ų | 28 | 98.2 Ų | 98.2 | 29% | 0.289 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T25 D26 V27 L31 E32 E33 | T25-G29 PolarHBondContact O-N 3.38Å; D26-G29 PolarHBondContact O-N 3.33Å; V27-G29 VanDerWaalsContact C-N 3.32Å; V27-G29 PolarHBondContact O-N 3.5Å; G29-L31 VanDerWaalsContact C-N 3.28Å; G29-L31 PolarHBondContact O-N 3.08Å; G29-E32 PolarHBondContact O-N 3.34Å; G29-E33 WeakPolarHBondContact O-CB 3.43Å; G29-E33 PolarHBondContact O-N 2.76Å |
| 30 | K | 80 | Confident | 74.4 | Confident | 142 Ų | 142 | 97.2 Ų | 97.2 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.3 | -33.6 | 173.7 | -76.1 | -178.1 | 178.2 | 175.6 | 0 | 113 | D26 V27 K34 | D26-K30 PolarHBondContact O-N 3.47Å; V27-K30 PolarHBondContact O-N 2.7Å; K30-K34 PolarHBondContact O-N 3.19Å |
| 31 | L | 75.4 | Confident | 74.5 | Confident | 77 Ų | 77 | 95.9 Ų | 95.9 | 40% | 0.403 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.7 | -39.5 | 174.7 | -75.1 | 166.9 | 0 | 0 | 0 | 111.7 | V27 L28 G29 K34 T35 I42 | V27-L31 HydrophobicContact CG1-CD1 4.07Å; V27-L31 WeakPolarHBondContact O-CB 3.24Å; V27-L31 WeakPolarHBondContact O-CG 3.25Å; V27-L31 PolarHBondContact O-N 3.15Å; L28-L31 PolarHBondContact O-N 3.48Å; G29-L31 VanDerWaalsContact C-N 3.28Å; G29-L31 PolarHBondContact O-N 3.08Å; L31-K34 PolarHBondContact O-N 3.35Å; L31-T35 WeakPolarHBondContact O-CB 3.32Å; L31-T35 WeakPolarHBondContact O-CG2 3.37Å; L31-T35 PolarHBondContact O-N 2.83Å; L31-T35 PolarHBondContact O-OG1 3.45Å; L31-I42 HydrophobicContact CB-CD1 4.17Å |
| 32 | E | 80.4 | Confident | 75.4 | Confident | 61 Ų | 61 | 87.5 Ų | 87.5 | 29% | 0.285 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 173.7 | 172.4 | 165 | -146.2 | 0 | 0 | 111.1 | L28 G29 K34 T35 G36 I37 K38 K39 I42 | L28-E32 VanDerWaalsContact O-CB 3.29Å; L28-E32 WeakPolarHBondContact O-CB 3.23Å; L28-E32 PolarHBondContact O-N 3.26Å; G29-E32 PolarHBondContact O-N 3.34Å; E32-K34 PolarHBondContact O-N 2.79Å; E32-T35 PolarHBondContact O-N 3.39Å; E32-G36 VanDerWaalsContact O-CA 3.28Å; E32-G36 WeakPolarHBondContact O-CA 3.38Å; E32-G36 PolarHBondContact O-N 2.72Å; E32-I37 WeakPolarHBondContact CB-O 3.44Å; E32-I37 WeakPolarHBondContact CG-O 3.41Å; E32-K38 WeakPolarHBondContact OE1-CA 3.29Å; E32-K39 PolarHBondContact OE1-N 3.19Å; E32-K39 VanDerWaalsContact OE2-CB 3.27Å; E32-K39 WeakPolarHBondContact OE2-CB 3.22Å; E32-K39 WeakPolarHBondContact OE2-CG 3.21Å; E32-I42 HydrophobicContact CB-CD1 4.48Å |
| 33 | E | 80.4 | Confident | 75.6 | Confident | 168 Ų | 168 | 84.4 Ų | 84.4 | 79% | 0.785 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.8 | -36.2 | 178.6 | -165.4 | 177.5 | -166.4 | 0 | 0 | 112.5 | G29 | G29-E33 WeakPolarHBondContact O-CB 3.43Å; G29-E33 PolarHBondContact O-N 2.76Å |
| 34 | K | 81.3 | Confident | 75.7 | Confident | 191 Ų | 191 | 85.1 Ų | 85.1 | 83% | 0.83 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -80.3 | -33.5 | 177.4 | -80.9 | -164.9 | 172.2 | -162.9 | 0 | 114.6 | K30 L31 E32 | K30-K34 PolarHBondContact O-N 3.19Å; L31-K34 PolarHBondContact O-N 3.35Å; E32-K34 PolarHBondContact O-N 2.79Å |
| 35 | T | 77.7 | Confident | 76.1 | Confident | 75 Ų | 75 | 82.5 Ų | 82.5 | 46% | 0.46 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -99.7 | -17.1 | -174.2 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | L31 E32 I37 | L31-T35 WeakPolarHBondContact O-CB 3.32Å; L31-T35 WeakPolarHBondContact O-CG2 3.37Å; L31-T35 PolarHBondContact O-N 2.83Å; L31-T35 PolarHBondContact O-OG1 3.45Å; E32-T35 PolarHBondContact O-N 3.39Å; T35-I37 PolarHBondContact O-N 2.89Å; T35-I37 PolarHBondContact OG1-N 3.47Å |
| 36 | G | 75.5 | Confident | 76.2 | Confident | 71 Ų | 71 | 83.8 Ų | 83.8 | 73% | 0.732 | 46% | 0.458 | S | S | * | . | trans | 69.9 | 6.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E32 | E32-G36 VanDerWaalsContact O-CA 3.28Å; E32-G36 WeakPolarHBondContact O-CA 3.38Å; E32-G36 PolarHBondContact O-N 2.72Å | ||
| 37 | I | 78.8 | Confident | 75.9 | Confident | 85 Ų | 85 | 83.5 Ų | 83.5 | 44% | 0.436 | 46% | 0.46 | S | S | . | . | trans | -98.6 | 134.4 | -175.5 | -59.1 | 173.3 | 0 | 0 | 0 | 109.5 | E32 T35 K39 V41 I42 | E32-I37 WeakPolarHBondContact CB-O 3.44Å; E32-I37 WeakPolarHBondContact CG-O 3.41Å; T35-I37 PolarHBondContact O-N 2.89Å; T35-I37 PolarHBondContact OG1-N 3.47Å; I37-K39 PolarHBondContact O-N 3.35Å; I37-V41 HydrophobicContact CG2-CB 3.87Å; I37-V41 HydrophobicContact CG2-CG1 3.95Å; I37-I42 HydrophobicContact CB-CD1 4.28Å; I37-I42 HydrophobicContact CB-CG1 4.21Å; I37-I42 HydrophobicContact CG2-CG1 4Å; I37-I42 WeakPolarHBondContact O-CD1 3.2Å | ||
| 38 | K | 78.3 | Confident | 75.6 | Confident | 156 Ų | 156 | 83.1 Ų | 83.1 | 68% | 0.678 | 46% | 0.461 | S | S | * | . | trans | -52.1 | 132.1 | 179.4 | -66.5 | -179.8 | -179.1 | 177.2 | 0 | 111.7 | E32 K40 V41 I42 | E32-K38 WeakPolarHBondContact OE1-CA 3.29Å; K38-K40 PolarHBondContact O-N 2.89Å; K38-V41 HydrophobicContact CB-CG2 4.29Å; K38-V41 WeakPolarHBondContact O-CB 3.33Å; K38-V41 PolarHBondContact O-N 2.9Å; K38-I42 PolarHBondContact O-N 3.02Å | ||
| 39 | K | 72.4 | Confident | 75.5 | Confident | 57 Ų | 57 | 88.1 Ų | 88.1 | 25% | 0.248 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -48 | -35.9 | 176.8 | 54.9 | 179 | -177.4 | 164 | 0 | 115.1 | L18 N19 L28 E32 I37 V41 I42 A43 | L18-K39 PolarHBondContact O-NZ 3.45Å; L18-K39 VanDerWaalsContact O-NZ 3.08Å; N19-K39 PolarHBondContact OD1-NZ 3.41Å; L28-K39 HydrophobicContact CB-CB 4.3Å; L28-K39 HydrophobicContact CD2-CB 4.2Å; E32-K39 PolarHBondContact OE1-N 3.19Å; E32-K39 VanDerWaalsContact OE2-CB 3.27Å; E32-K39 WeakPolarHBondContact OE2-CB 3.22Å; E32-K39 WeakPolarHBondContact OE2-CG 3.21Å; I37-K39 PolarHBondContact O-N 3.35Å; K39-V41 VanDerWaalsContact C-N 3.34Å; K39-V41 PolarHBondContact O-N 3.44Å; K39-I42 PolarHBondContact O-N 3.06Å; K39-A43 WeakPolarHBondContact O-CB 3.37Å; K39-A43 PolarHBondContact O-N 3.19Å |
| 40 | K | 69.9 | Low | 75.1 | Confident | 88 Ų | 88 | 90.6 Ų | 90.6 | 38% | 0.383 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 175.8 | -76.6 | -171.5 | 176.7 | -174.6 | 0 | 112.3 | E15 L18 K38 L44 | E15-K40 IonicContact OE1-NZ 2.8Å; E15-K40 PolarHBondContact OE1-NZ 3.49Å; E15-K40 IonicContact OE2-NZ 2.85Å; E15-K40 PolarHBondContact OE2-NZ 2.98Å; L18-K40 HydrophobicContact CD1-CG 4.29Å; K38-K40 PolarHBondContact O-N 2.89Å; K40-L44 VanDerWaalsContact O-CB 3.28Å; K40-L44 WeakPolarHBondContact O-CB 3.48Å; K40-L44 PolarHBondContact O-N 2.77Å |
| 41 | V | 76.6 | Confident | 74.1 | Confident | 88 Ų | 88 | 85.2 Ų | 85.2 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73.9 | -38.3 | -179 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | I37 K38 K39 L44 G45 | I37-V41 HydrophobicContact CG2-CB 3.87Å; I37-V41 HydrophobicContact CG2-CG1 3.95Å; K38-V41 HydrophobicContact CB-CG2 4.29Å; K38-V41 WeakPolarHBondContact O-CB 3.33Å; K38-V41 PolarHBondContact O-N 2.9Å; K39-V41 VanDerWaalsContact C-N 3.34Å; K39-V41 PolarHBondContact O-N 3.44Å; V41-L44 PolarHBondContact O-N 3.38Å; V41-G45 PolarHBondContact O-N 3.22Å |
| 42 | I | 76.2 | Confident | 73.7 | Confident | 35 Ų | 35 | 86.5 Ų | 86.5 | 18% | 0.179 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 174.2 | -59.7 | 177.1 | 0 | 0 | 0 | 110.6 | L31 E32 I37 K38 K39 L44 G45 A46 | L31-I42 HydrophobicContact CB-CD1 4.17Å; E32-I42 HydrophobicContact CB-CD1 4.48Å; I37-I42 HydrophobicContact CB-CD1 4.28Å; I37-I42 HydrophobicContact CB-CG1 4.21Å; I37-I42 HydrophobicContact CG2-CG1 4Å; I37-I42 WeakPolarHBondContact O-CD1 3.2Å; K38-I42 PolarHBondContact O-N 3.02Å; K39-I42 PolarHBondContact O-N 3.06Å; I42-L44 PolarHBondContact O-N 3.08Å; I42-G45 PolarHBondContact O-N 3.26Å; I42-A46 WeakPolarHBondContact O-CB 3.04Å; I42-A46 PolarHBondContact O-N 3.48Å |
| 43 | A | 70.3 | Confident | 72.8 | Confident | 18 Ų | 18 | 92.5 Ų | 92.5 | 15% | 0.149 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -58.6 | -48.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L18 L28 K39 G45 A46 V47 | L18-A43 HydrophobicContact CD1-CB 4.25Å; L18-A43 HydrophobicContact CD2-CB 3.89Å; L28-A43 HydrophobicContact CD2-CB 3.89Å; K39-A43 WeakPolarHBondContact O-CB 3.37Å; K39-A43 PolarHBondContact O-N 3.19Å; A43-G45 VanDerWaalsContact C-N 3.33Å; A43-G45 PolarHBondContact O-N 3.45Å; A43-A46 PolarHBondContact O-N 3.23Å; A43-V47 VanDerWaalsContact O-CG2 3.32Å; A43-V47 WeakPolarHBondContact O-CG2 3.34Å; A43-V47 PolarHBondContact O-N 2.87Å |
| 44 | L | 74.2 | Confident | 71.6 | Confident | 123 Ų | 123 | 86.9 Ų | 86.9 | 64% | 0.644 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.8 | -37.9 | -178.4 | -156.6 | 128.9 | 0 | 0 | 0 | 111.4 | K40 V41 I42 S48 | K40-L44 VanDerWaalsContact O-CB 3.28Å; K40-L44 WeakPolarHBondContact O-CB 3.48Å; K40-L44 PolarHBondContact O-N 2.77Å; V41-L44 PolarHBondContact O-N 3.38Å; I42-L44 PolarHBondContact O-N 3.08Å; L44-S48 VanDerWaalsContact O-CB 3.25Å; L44-S48 WeakPolarHBondContact O-CB 3.31Å; L44-S48 PolarHBondContact O-N 3.15Å; L44-S48 PolarHBondContact O-OG 3.47Å |
| 45 | G | 75.4 | Confident | 70.2 | Confident | 37 Ų | 37 | 81.7 Ų | 81.7 | 38% | 0.381 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -46 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | V41 I42 A43 S48 L49 | V41-G45 PolarHBondContact O-N 3.22Å; I42-G45 PolarHBondContact O-N 3.26Å; A43-G45 VanDerWaalsContact C-N 3.33Å; A43-G45 PolarHBondContact O-N 3.45Å; G45-S48 PolarHBondContact O-N 3.46Å; G45-L49 VanDerWaalsContact O-CB 3.23Å; G45-L49 WeakPolarHBondContact O-CB 3.33Å; G45-L49 PolarHBondContact O-N 2.92Å |
| 46 | A | 72.6 | Confident | 69.1 | Low | 49 Ų | 49 | 88.2 Ų | 88.2 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I42 A43 L49 T50 | I42-A46 WeakPolarHBondContact O-CB 3.04Å; I42-A46 PolarHBondContact O-N 3.48Å; A43-A46 PolarHBondContact O-N 3.23Å; A46-L49 PolarHBondContact O-N 3.17Å; A46-T50 WeakPolarHBondContact O-CB 3.2Å; A46-T50 PolarHBondContact O-N 2.84Å; A46-T50 PolarHBondContact O-OG1 3.4Å |
| 47 | V | 70.5 | Confident | 68.3 | Low | 107 Ų | 107 | 86.7 Ų | 86.7 | 65% | 0.648 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.6 | -43 | 173 | 171 | 0 | 0 | 0 | 0 | 110.5 | A43 G51 | A43-V47 VanDerWaalsContact O-CG2 3.32Å; A43-V47 WeakPolarHBondContact O-CG2 3.34Å; A43-V47 PolarHBondContact O-N 2.87Å; V47-G51 PolarHBondContact O-N 3.29Å |
| 48 | S | 72.2 | Confident | 66.9 | Low | 68 Ų | 68 | 93.3 Ų | 93.3 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 177.7 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | L44 G45 G51 L52 | L44-S48 VanDerWaalsContact O-CB 3.25Å; L44-S48 WeakPolarHBondContact O-CB 3.31Å; L44-S48 PolarHBondContact O-N 3.15Å; L44-S48 PolarHBondContact O-OG 3.47Å; G45-S48 PolarHBondContact O-N 3.46Å; S48-G51 PolarHBondContact O-N 3.27Å; S48-L52 VanDerWaalsContact O-CB 3.24Å; S48-L52 WeakPolarHBondContact O-CB 3.47Å; S48-L52 PolarHBondContact O-N 2.78Å |
| 49 | L | 72.5 | Confident | 65.4 | Low | 126 Ų | 126 | 86.7 Ų | 86.7 | 66% | 0.66 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -70.5 | -40.6 | 178.4 | -159.4 | 86.2 | 0 | 0 | 0 | 111.3 | G45 A46 L52 Y53 | G45-L49 VanDerWaalsContact O-CB 3.23Å; G45-L49 WeakPolarHBondContact O-CB 3.33Å; G45-L49 PolarHBondContact O-N 2.92Å; A46-L49 PolarHBondContact O-N 3.17Å; L49-L52 PolarHBondContact O-N 3.42Å; L49-Y53 VanDerWaalsContact O-CB 3.22Å; L49-Y53 WeakPolarHBondContact O-CB 3.43Å; L49-Y53 PolarHBondContact O-N 3.35Å |
| 50 | T | 65.9 | Low | 64.3 | Low | 81 Ų | 81 | 85.9 Ų | 85.9 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 172.3 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | A46 Y53 L54 | A46-T50 WeakPolarHBondContact O-CB 3.2Å; A46-T50 PolarHBondContact O-N 2.84Å; A46-T50 PolarHBondContact O-OG1 3.4Å; T50-Y53 PolarHBondContact O-N 2.94Å; T50-L54 HydrophobicContact CG2-CD1 3.94Å; T50-L54 WeakPolarHBondContact O-CB 3.21Å; T50-L54 WeakPolarHBondContact O-CD1 3.31Å; T50-L54 VanDerWaalsContact O-CG 3.24Å; T50-L54 WeakPolarHBondContact O-CG 3.41Å; T50-L54 PolarHBondContact O-N 2.92Å |
| 51 | G | 60.4 | Low | 63.4 | Low | 28 Ų | 28 | 85.3 Ų | 85.3 | 29% | 0.289 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V47 S48 L54 V55 | V47-G51 PolarHBondContact O-N 3.29Å; S48-G51 PolarHBondContact O-N 3.27Å; G51-L54 PolarHBondContact O-N 2.95Å; G51-V55 WeakPolarHBondContact O-CB 3.21Å; G51-V55 WeakPolarHBondContact O-CG2 3.31Å; G51-V55 PolarHBondContact O-N 3.48Å |
| 52 | L | 66.8 | Low | 62 | Low | 105 Ų | 105 | 86.5 Ų | 86.5 | 55% | 0.55 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 177.6 | -161 | 77.7 | 0 | 0 | 0 | 111.3 | S48 L49 V55 Y56 | S48-L52 VanDerWaalsContact O-CB 3.24Å; S48-L52 WeakPolarHBondContact O-CB 3.47Å; S48-L52 PolarHBondContact O-N 2.78Å; L49-L52 PolarHBondContact O-N 3.42Å; L52-V55 CarbonylContact O-C 3.57Å; L52-V55 PolarHBondContact O-N 3.34Å; L52-Y56 VanDerWaalsContact O-CB 3.29Å; L52-Y56 WeakPolarHBondContact O-CB 3.37Å; L52-Y56 PolarHBondContact O-N 2.86Å |
| 53 | Y | 60.9 | Low | 60.8 | Low | 187 Ų | 187 | 88.1 Ų | 88.1 | 73% | 0.733 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.3 | -39.5 | 175.7 | 178.5 | -100.3 | 0 | 0 | 0 | 112.2 | L49 T50 G57 | L49-Y53 VanDerWaalsContact O-CB 3.22Å; L49-Y53 WeakPolarHBondContact O-CB 3.43Å; L49-Y53 PolarHBondContact O-N 3.35Å; T50-Y53 PolarHBondContact O-N 2.94Å; Y53-G57 PolarHBondContact O-N 3.01Å; Y53-G57 VanDerWaalsContact O-N 3.08Å |
| 54 | L | 54.3 | Low | 59.8 | Low | 49 Ų | 49 | 89.8 Ų | 89.8 | 26% | 0.257 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 171.7 | -75.1 | 162.9 | 0 | 0 | 0 | 111.4 | T50 G51 G59 A60 L63 | T50-L54 HydrophobicContact CG2-CD1 3.94Å; T50-L54 WeakPolarHBondContact O-CB 3.21Å; T50-L54 WeakPolarHBondContact O-CD1 3.31Å; T50-L54 VanDerWaalsContact O-CG 3.24Å; T50-L54 WeakPolarHBondContact O-CG 3.41Å; T50-L54 PolarHBondContact O-N 2.92Å; G51-L54 PolarHBondContact O-N 2.95Å; L54-G59 CarbonylContact O-C 3.54Å; L54-A60 PolarHBondContact O-N 3.03Å; L54-L63 HydrophobicContact CD1-CD1 3.95Å; L54-L63 HydrophobicContact CD1-CD2 4.06Å |
| 55 | V | 53.2 | Low | 58.8 | Low | 83 Ų | 83 | 88.5 Ų | 88.5 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.1 | -33.9 | 177.6 | 168.7 | 0 | 0 | 0 | 0 | 112.6 | G51 L52 | G51-V55 WeakPolarHBondContact O-CB 3.21Å; G51-V55 WeakPolarHBondContact O-CG2 3.31Å; G51-V55 PolarHBondContact O-N 3.48Å; L52-V55 CarbonylContact O-C 3.57Å; L52-V55 PolarHBondContact O-N 3.34Å |
| 56 | Y | 54.5 | Low | 57.5 | Low | 212 Ų | 212 | 91 Ų | 91 | 83% | 0.831 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -87.2 | -8.1 | -179.6 | -131 | -93.6 | 0 | 0 | 0 | 113.4 | L52 | L52-Y56 VanDerWaalsContact O-CB 3.29Å; L52-Y56 WeakPolarHBondContact O-CB 3.37Å; L52-Y56 PolarHBondContact O-N 2.86Å |
| 57 | G | 58.6 | Low | 56.5 | Low | 38 Ų | 38 | 93.4 Ų | 93.4 | 39% | 0.392 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -119 | -173.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y53 G59 A60 | Y53-G57 PolarHBondContact O-N 3.01Å; Y53-G57 VanDerWaalsContact O-N 3.08Å; G57-G59 PolarHBondContact O-N 3.34Å; G57-A60 PolarHBondContact O-N 2.69Å |
| 58 | Y | 49.9 | Very low | 55.4 | Low | 225 Ų | 225 | 88.6 Ų | 88.6 | 88% | 0.882 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -4 | 174.5 | -80.2 | -88.3 | 0 | 0 | 0 | 114.5 | ||
| 59 | G | 45.8 | Very low | 54.3 | Low | 16 Ų | 16 | 92.3 Ų | 92.3 | 17% | 0.165 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -73.3 | -23.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L54 G57 S61 L62 L63 | L54-G59 CarbonylContact O-C 3.54Å; G57-G59 PolarHBondContact O-N 3.34Å; G59-S61 PolarHBondContact O-N 3.14Å; G59-L62 PolarHBondContact O-N 2.79Å; G59-L63 WeakPolarHBondContact O-CB 3.39Å; G59-L63 PolarHBondContact O-N 2.8Å |
| 60 | A | 50.5 | Low | 53.2 | Low | 40 Ų | 40 | 90.1 Ų | 90.1 | 33% | 0.331 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | L54 G57 L62 C64 | L54-A60 PolarHBondContact O-N 3.03Å; G57-A60 PolarHBondContact O-N 2.69Å; A60-L62 PolarHBondContact O-N 2.85Å; A60-C64 WeakPolarHBondContact O-CB 3.34Å; A60-C64 PolarHBondContact O-N 3.07Å |
| 61 | S | 49.3 | Very low | 52.4 | Low | 77 Ų | 77 | 92.9 Ų | 92.9 | 54% | 0.538 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.9 | -33.3 | 177.4 | -56 | 0 | 0 | 0 | 0 | 112.9 | G59 N65 | G59-S61 PolarHBondContact O-N 3.14Å; S61-N65 VanDerWaalsContact O-CB 3.23Å; S61-N65 WeakPolarHBondContact O-CB 3.45Å; S61-N65 PolarHBondContact O-N 2.87Å; S61-N65 PolarHBondContact O-ND2 2.8Å |
| 62 | L | 48 | Very low | 51.7 | Low | 112 Ų | 112 | 91.5 Ų | 91.5 | 59% | 0.586 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -80.3 | -38.4 | -178.9 | -139.7 | 159 | 0 | 0 | 0 | 111.3 | G59 A60 L66 | G59-L62 PolarHBondContact O-N 2.79Å; A60-L62 PolarHBondContact O-N 2.85Å; L62-L66 HydrophobicContact CD2-CD1 3.47Å; L62-L66 VanDerWaalsContact CD2-CD1 3.47Å; L62-L66 HydrophobicContact CD2-CG 4.23Å; L62-L66 VanDerWaalsContact O-CB 3.22Å; L62-L66 WeakPolarHBondContact O-CB 3.18Å; L62-L66 WeakPolarHBondContact O-CG 3.23Å; L62-L66 PolarHBondContact O-N 3.37Å |
| 63 | L | 51.7 | Low | 51 | Low | 70 Ų | 70 | 88.3 Ų | 88.3 | 37% | 0.366 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -72.1 | -38.3 | 174.6 | -151.9 | 83.6 | 0 | 0 | 0 | 111.1 | L54 G59 L66 I67 | L54-L63 HydrophobicContact CD1-CD1 3.95Å; L54-L63 HydrophobicContact CD1-CD2 4.06Å; G59-L63 WeakPolarHBondContact O-CB 3.39Å; G59-L63 PolarHBondContact O-N 2.8Å; L63-L66 PolarHBondContact O-N 2.63Å; L63-I67 HydrophobicContact CD2-CD1 4.08Å; L63-I67 HydrophobicContact CG-CD1 3.88Å; L63-I67 VanDerWaalsContact O-CB 3.22Å; L63-I67 WeakPolarHBondContact O-CB 3.23Å; L63-I67 WeakPolarHBondContact O-CG1 3.36Å; L63-I67 PolarHBondContact O-N 2.87Å |
| 64 | C | 49.5 | Very low | 50.6 | Low | 53 Ų | 53 | 86.9 Ų | 86.9 | 36% | 0.358 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70.2 | -37.4 | 174.3 | -165 | 0 | 0 | 0 | 0 | 111.5 | A60 G68 | A60-C64 WeakPolarHBondContact O-CB 3.34Å; A60-C64 PolarHBondContact O-N 3.07Å; C64-G68 WeakPolarHBondContact O-CA 3.24Å; C64-G68 PolarHBondContact O-N 2.93Å |
| 65 | N | 51.5 | Low | 50.5 | Low | 95 Ų | 95 | 89.8 Ų | 89.8 | 51% | 0.508 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.5 | -42.5 | 169.4 | -91 | -66.6 | 0 | 0 | 0 | 112.4 | S61 G68 F69 | S61-N65 VanDerWaalsContact O-CB 3.23Å; S61-N65 WeakPolarHBondContact O-CB 3.45Å; S61-N65 PolarHBondContact O-N 2.87Å; S61-N65 PolarHBondContact O-ND2 2.8Å; N65-G68 CarbonylContact O-C 3.51Å; N65-G68 PolarHBondContact O-N 3.08Å; N65-F69 WeakPolarHBondContact O-CA 3.35Å; N65-F69 WeakPolarHBondContact O-CB 3.43Å; N65-F69 PolarHBondContact O-N 3.44Å |
| 66 | L | 49.8 | Very low | 50.3 | Low | 89 Ų | 89 | 87.7 Ų | 87.7 | 47% | 0.466 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 178.9 | -90.7 | 159.6 | 0 | 0 | 0 | 111.4 | L62 L63 F69 V70 | L62-L66 HydrophobicContact CD2-CD1 3.47Å; L62-L66 VanDerWaalsContact CD2-CD1 3.47Å; L62-L66 HydrophobicContact CD2-CG 4.23Å; L62-L66 VanDerWaalsContact O-CB 3.22Å; L62-L66 WeakPolarHBondContact O-CB 3.18Å; L62-L66 WeakPolarHBondContact O-CG 3.23Å; L62-L66 PolarHBondContact O-N 3.37Å; L63-L66 PolarHBondContact O-N 2.63Å; L66-F69 PolarHBondContact O-N 3.27Å; L66-V70 HydrophobicContact CD2-CG2 3.81Å; L66-V70 WeakPolarHBondContact O-CA 3.47Å; L66-V70 WeakPolarHBondContact O-CB 3.31Å; L66-V70 WeakPolarHBondContact O-CG2 3.33Å; L66-V70 PolarHBondContact O-N 3.33Å |
| 67 | I | 50.8 | Low | 50.4 | Low | 101 Ų | 101 | 83.5 Ų | 83.5 | 52% | 0.518 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 176.8 | -63.5 | 171.8 | 0 | 0 | 0 | 109.7 | L63 F69 Y71 P72 | L63-I67 HydrophobicContact CD2-CD1 4.08Å; L63-I67 HydrophobicContact CG-CD1 3.88Å; L63-I67 VanDerWaalsContact O-CB 3.22Å; L63-I67 WeakPolarHBondContact O-CB 3.23Å; L63-I67 WeakPolarHBondContact O-CG1 3.36Å; L63-I67 PolarHBondContact O-N 2.87Å; I67-F69 VanDerWaalsContact C-N 3.29Å; I67-F69 PolarHBondContact O-N 2.98Å; I67-Y71 WeakPolarHBondContact O-CB 3.5Å; I67-Y71 PolarHBondContact O-N 3.29Å; I67-P72 WeakPolarHBondContact O-CD 3.16Å |
| 68 | G | 47 | Very low | 49.9 | Very low | 5 Ų | 5 | 87.2 Ų | 87.2 | 5% | 0.052 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -75.2 | -6.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | C64 N65 P72 | C64-G68 WeakPolarHBondContact O-CA 3.24Å; C64-G68 PolarHBondContact O-N 2.93Å; N65-G68 CarbonylContact O-C 3.51Å; N65-G68 PolarHBondContact O-N 3.08Å; G68-P72 VanDerWaalsContact O-CG 3.24Å; G68-P72 WeakPolarHBondContact O-CG 3.46Å |
| 69 | F | 49.2 | Very low | 49.6 | Very low | 147 Ų | 147 | 78.3 Ų | 78.3 | 65% | 0.645 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -118.6 | -44.8 | 176.4 | -161.6 | -90.3 | 0 | 0 | 0 | 111.7 | N65 L66 I67 A73 | N65-F69 WeakPolarHBondContact O-CA 3.35Å; N65-F69 WeakPolarHBondContact O-CB 3.43Å; N65-F69 PolarHBondContact O-N 3.44Å; L66-F69 PolarHBondContact O-N 3.27Å; I67-F69 VanDerWaalsContact C-N 3.29Å; I67-F69 PolarHBondContact O-N 2.98Å; F69-A73 WeakPolarHBondContact O-CB 3.45Å; F69-A73 PolarHBondContact O-N 3.01Å |
| 70 | V | 49.6 | Very low | 49.7 | Very low | 79 Ų | 79 | 84.6 Ų | 84.6 | 48% | 0.479 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -76.2 | -39 | -177.4 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | L66 A73 Y74 | L66-V70 HydrophobicContact CD2-CG2 3.81Å; L66-V70 WeakPolarHBondContact O-CA 3.47Å; L66-V70 WeakPolarHBondContact O-CB 3.31Å; L66-V70 WeakPolarHBondContact O-CG2 3.33Å; L66-V70 PolarHBondContact O-N 3.33Å; V70-A73 PolarHBondContact O-N 3.4Å; V70-Y74 VanDerWaalsContact O-CB 3.25Å; V70-Y74 WeakPolarHBondContact O-CB 3.26Å; V70-Y74 PolarHBondContact O-N 3.4Å |
| 71 | Y | 49.2 | Very low | 49.7 | Very low | 139 Ų | 139 | 90.8 Ų | 90.8 | 55% | 0.545 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 179 | -162.5 | -92.3 | 0 | 0 | 0 | 112.1 | I67 Y75 | I67-Y71 WeakPolarHBondContact O-CB 3.5Å; I67-Y71 PolarHBondContact O-N 3.29Å; Y71-Y75 HydrophobicContact CE1-CD2 4.43Å; Y71-Y75 PolarHBondContact O-N 3.47Å |
| 72 | P | 45.8 | Very low | 49.5 | Very low | 0 Ų | 0 | 90.6 Ų | 90.6 | 0% | 0 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -60.7 | -50.1 | 167.2 | -25.7 | 34.7 | 0 | 0 | 0 | 114.5 | I67 G68 Y74 Y75 S76 W91 Y94 W95 | I67-P72 WeakPolarHBondContact O-CD 3.16Å; G68-P72 VanDerWaalsContact O-CG 3.24Å; G68-P72 WeakPolarHBondContact O-CG 3.46Å; P72-Y74 VanDerWaalsContact C-N 3.29Å; P72-Y74 PolarHBondContact O-N 2.94Å; P72-Y75 CarbonylContact O-C 3.57Å; P72-Y75 PolarHBondContact O-N 2.98Å; P72-Y75 VanDerWaalsContact O-N 3.12Å; P72-S76 WeakPolarHBondContact O-CB 3.23Å; P72-S76 PolarHBondContact O-N 3.3Å; P72-S76 PolarHBondContact O-OG 3.4Å; P72-S76 VanDerWaalsContact O-OG 3.13Å; P72-W91 HydrophobicContact CB-CH2 3.12Å; P72-W91 HydrophobicContact CB-CZ2 3.84Å; P72-W91 HydrophobicContact CB-CZ3 3.67Å; P72-W91 HydrophobicContact CG-CH2 3.52Å; P72-W91 HydrophobicContact CG-CZ2 4.5Å; P72-W91 HydrophobicContact CG-CZ3 4.06Å; P72-Y94 HydrophobicContact CG-CE1 4.42Å; P72-W95 HydrophobicContact CB-CH2 3.66Å; P72-W95 HydrophobicContact CB-CZ2 3.59Å; P72-W95 HydrophobicContact CG-CH2 4.02Å; P72-W95 HydrophobicContact CG-CZ2 4.34Å |
| 73 | A | 52.3 | Low | 49.5 | Very low | 38 Ų | 38 | 91.2 Ų | 91.2 | 31% | 0.314 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F69 V70 S76 I77 | F69-A73 WeakPolarHBondContact O-CB 3.45Å; F69-A73 PolarHBondContact O-N 3.01Å; V70-A73 PolarHBondContact O-N 3.4Å; A73-S76 PolarHBondContact O-N 3.08Å; A73-I77 VanDerWaalsContact O-CG1 3.31Å; A73-I77 WeakPolarHBondContact O-CG1 3.49Å; A73-I77 PolarHBondContact O-N 3Å |
| 74 | Y | 52.4 | Low | 49.2 | Very low | 156 Ų | 156 | 92 Ų | 92 | 61% | 0.612 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.6 | -41.3 | 175.3 | -173.6 | -97.4 | 0 | 0 | 0 | 112.1 | V70 P72 K78 | V70-Y74 VanDerWaalsContact O-CB 3.25Å; V70-Y74 WeakPolarHBondContact O-CB 3.26Å; V70-Y74 PolarHBondContact O-N 3.4Å; P72-Y74 VanDerWaalsContact C-N 3.29Å; P72-Y74 PolarHBondContact O-N 2.94Å; Y74-K78 PolarHBondContact O-N 3.28Å |
| 75 | Y | 51.3 | Low | 49.2 | Very low | 111 Ų | 111 | 98.2 Ų | 98.2 | 44% | 0.435 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -75.1 | -32.8 | 177 | -105.9 | -86.2 | 0 | 0 | 0 | 113.3 | Y71 P72 K78 A79 | Y71-Y75 HydrophobicContact CE1-CD2 4.43Å; Y71-Y75 PolarHBondContact O-N 3.47Å; P72-Y75 CarbonylContact O-C 3.57Å; P72-Y75 PolarHBondContact O-N 2.98Å; P72-Y75 VanDerWaalsContact O-N 3.12Å; Y75-K78 CarbonylContact O-C 3.32Å; Y75-K78 WeakPolarHBondContact O-CB 3.48Å; Y75-K78 PolarHBondContact O-N 3.43Å; Y75-A79 VanDerWaalsContact O-CB 3.29Å; Y75-A79 WeakPolarHBondContact O-CB 3.43Å; Y75-A79 PolarHBondContact O-N 2.93Å |
| 76 | S | 50.4 | Low | 49.2 | Very low | 39 Ų | 39 | 101.3 Ų | 101.3 | 27% | 0.273 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 174.8 | -69.8 | 0 | 0 | 0 | 0 | 111.8 | P72 A73 K78 A79 I80 | P72-S76 WeakPolarHBondContact O-CB 3.23Å; P72-S76 PolarHBondContact O-N 3.3Å; P72-S76 PolarHBondContact O-OG 3.4Å; P72-S76 VanDerWaalsContact O-OG 3.13Å; A73-S76 PolarHBondContact O-N 3.08Å; S76-K78 VanDerWaalsContact C-N 3.27Å; S76-K78 PolarHBondContact O-N 3.03Å; S76-A79 PolarHBondContact O-N 2.84Å; S76-I80 VanDerWaalsContact O-CG1 3.3Å; S76-I80 WeakPolarHBondContact O-CG1 3.43Å; S76-I80 PolarHBondContact O-N 3.03Å |
| 77 | I | 54.9 | Low | 49.2 | Very low | 123 Ų | 123 | 101 Ų | 101 | 63% | 0.631 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.7 | -40.4 | 172.5 | -70.4 | 170.3 | 0 | 0 | 0 | 110.2 | A73 A79 | A73-I77 VanDerWaalsContact O-CG1 3.31Å; A73-I77 WeakPolarHBondContact O-CG1 3.49Å; A73-I77 PolarHBondContact O-N 3Å; I77-A79 VanDerWaalsContact C-N 3.34Å |
| 78 | K | 48.9 | Very low | 49 | Very low | 116 Ų | 116 | 101.5 Ų | 101.5 | 50% | 0.504 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.5 | -26.5 | 177.7 | -143.3 | -179.1 | -175 | -171.8 | 0 | 113.7 | Y74 Y75 S76 | Y74-K78 PolarHBondContact O-N 3.28Å; Y75-K78 CarbonylContact O-C 3.32Å; Y75-K78 WeakPolarHBondContact O-CB 3.48Å; Y75-K78 PolarHBondContact O-N 3.43Å; S76-K78 VanDerWaalsContact C-N 3.27Å; S76-K78 PolarHBondContact O-N 3.03Å |
| 79 | A | 43 | Very low | 49.2 | Very low | 38 Ų | 38 | 105.9 Ų | 105.9 | 31% | 0.314 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -83.2 | -34.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y75 S76 I77 E81 S82 | Y75-A79 VanDerWaalsContact O-CB 3.29Å; Y75-A79 WeakPolarHBondContact O-CB 3.43Å; Y75-A79 PolarHBondContact O-N 2.93Å; S76-A79 PolarHBondContact O-N 2.84Å; I77-A79 VanDerWaalsContact C-N 3.34Å; A79-E81 PolarHBondContact O-N 3.22Å; A79-S82 PolarHBondContact O-N 3.47Å; A79-S82 VanDerWaalsContact O-O 3.08Å |
| 80 | I | 47.6 | Very low | 49.2 | Very low | 149 Ų | 149 | 105.3 Ų | 105.3 | 76% | 0.764 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.1 | -25.7 | 171.7 | -72.7 | 167.4 | 0 | 0 | 0 | 111.5 | S76 S82 | S76-I80 VanDerWaalsContact O-CG1 3.3Å; S76-I80 WeakPolarHBondContact O-CG1 3.43Å; S76-I80 PolarHBondContact O-N 3.03Å; I80-S82 VanDerWaalsContact C-N 3.35Å |
| 81 | E | 51.1 | Low | 49.2 | Very low | 170 Ų | 170 | 104.1 Ų | 104.1 | 79% | 0.794 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -6.1 | 175.7 | -128.7 | 176 | -177.2 | 0 | 0 | 113.9 | A79 | A79-E81 PolarHBondContact O-N 3.22Š|
| 82 | S | 46.1 | Very low | 49.3 | Very low | 72 Ų | 72 | 103.1 Ų | 103.1 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -120.2 | 130.3 | -175.5 | -152.6 | 0 | 0 | 0 | 0 | 113 | A79 I80 C84 | A79-S82 PolarHBondContact O-N 3.47Å; A79-S82 VanDerWaalsContact O-O 3.08Å; I80-S82 VanDerWaalsContact C-N 3.35Å; S82-C84 VanDerWaalsContact C-N 3.33Å; S82-C84 PolarHBondContact O-N 2.9Å; S82-C84 VanDerWaalsContact O-N 3.08Å |
| 83 | P | 47.9 | Very low | 49.7 | Very low | 125 Ų | 125 | 107.1 Ų | 107.1 | 81% | 0.812 | 55% | 0.554 | S | S | * | * | trans | -84 | 28.8 | -164.9 | 33.5 | -36.6 | 0 | 0 | 0 | 116.3 | ||||
| 84 | C | 45.4 | Very low | 49.6 | Very low | 86 Ų | 86 | 110.1 Ų | 110.1 | 58% | 0.581 | 56% | 0.558 | S | S | * | * | trans | -110.8 | 114.1 | -172.6 | -68 | 0 | 0 | 0 | 0 | 113.9 | S82 E86 | S82-C84 VanDerWaalsContact C-N 3.33Å; S82-C84 PolarHBondContact O-N 2.9Å; S82-C84 VanDerWaalsContact O-N 3.08Å; C84-E86 VanDerWaalsContact C-N 3.32Å; C84-E86 PolarHBondContact O-N 3.45Å | ||
| 85 | K | 49.8 | Very low | 49.8 | Very low | 185 Ų | 185 | 107.3 Ų | 107.3 | 80% | 0.804 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -1.2 | -175.1 | -78.2 | 178.3 | 173 | 164.9 | 0 | 117.1 | ||
| 86 | E | 50.1 | Low | 50.1 | Low | 160 Ų | 160 | 106.3 Ų | 106.3 | 75% | 0.748 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -6.4 | -177 | -69.6 | -169.9 | 130.8 | 0 | 0 | 114.3 | C84 | C84-E86 VanDerWaalsContact C-N 3.32Å; C84-E86 PolarHBondContact O-N 3.45Å |
| 87 | D | 49.3 | Very low | 50.4 | Low | 83 Ų | 83 | 109 Ų | 109 | 44% | 0.444 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -88.5 | -21.2 | -180 | -80.1 | -27.1 | 0 | 0 | 0 | 113.2 | T89 K90 W91 | D87-T89 PolarHBondContact O-N 3.3Å; D87-K90 PolarHBondContact O-N 2.93Å; D87-K90 IonicContact OD1-NZ 3.88Å; D87-W91 PolarHBondContact O-N 3.2Å; D87-W91 VanDerWaalsContact O-N 3.1Å |
| 88 | D | 47.3 | Very low | 50.5 | Low | 111 Ų | 111 | 105.2 Ų | 105.2 | 59% | 0.594 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63 | -42.1 | -177.2 | -64.4 | -37.9 | 0 | 0 | 0 | 112.5 | K90 W91 L92 | D88-K90 PolarHBondContact O-N 3.45Å; D88-W91 PolarHBondContact O-N 3.28Å; D88-L92 WeakPolarHBondContact O-CB 3.35Å; D88-L92 PolarHBondContact O-N 2.91Å |
| 89 | T | 51.7 | Low | 50.8 | Low | 96 Ų | 96 | 101.2 Ų | 101.2 | 59% | 0.589 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.4 | -34 | -177.6 | -39.1 | 0 | 0 | 0 | 0 | 112.3 | D87 T93 | D87-T89 PolarHBondContact O-N 3.3Å; T89-T93 WeakPolarHBondContact O-CB 3.45Å; T89-T93 PolarHBondContact O-N 3.06Å; T89-T93 PolarHBondContact O-OG1 3.15Å |
| 90 | K | 48.4 | Very low | 51.4 | Low | 135 Ų | 135 | 104.3 Ų | 104.3 | 59% | 0.587 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.1 | -40.4 | 176.7 | -66.8 | 174.3 | -169.4 | 134.2 | 0 | 110.5 | D87 D88 Y94 | D87-K90 PolarHBondContact O-N 2.93Å; D87-K90 IonicContact OD1-NZ 3.88Å; D88-K90 PolarHBondContact O-N 3.45Å; K90-Y94 PolarHBondContact O-N 3.39Å |
| 91 | W | 51.1 | Low | 51.9 | Low | 55 Ų | 55 | 99.8 Ų | 99.8 | 21% | 0.208 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 173.9 | -110.5 | 117.5 | 0 | 0 | 0 | 112.2 | P72 D87 D88 T93 Y94 W95 | P72-W91 HydrophobicContact CB-CH2 3.12Å; P72-W91 HydrophobicContact CB-CZ2 3.84Å; P72-W91 HydrophobicContact CB-CZ3 3.67Å; P72-W91 HydrophobicContact CG-CH2 3.52Å; P72-W91 HydrophobicContact CG-CZ2 4.5Å; P72-W91 HydrophobicContact CG-CZ3 4.06Å; D87-W91 PolarHBondContact O-N 3.2Å; D87-W91 VanDerWaalsContact O-N 3.1Å; D88-W91 PolarHBondContact O-N 3.28Å; W91-T93 VanDerWaalsContact C-N 3.33Å; W91-T93 PolarHBondContact O-N 2.84Å; W91-Y94 AromaticContact CE3-CD1 3.73Å; W91-Y94 HydrophobicContact CE3-CD1 3.73Å; W91-Y94 HydrophobicContact CE3-CE1 4.43Å; W91-Y94 HydrophobicContact CE3-CG 4.42Å; W91-Y94 AromaticContact CH2-CD1 3.91Å; W91-Y94 HydrophobicContact CH2-CD1 3.91Å; W91-Y94 AromaticContact CH2-CE1 3.87Å; W91-Y94 HydrophobicContact CH2-CE1 3.87Å; W91-Y94 AromaticContact CZ3-CD1 3.19Å; W91-Y94 HydrophobicContact CZ3-CD1 3.19Å; W91-Y94 AromaticContact CZ3-CE1 3.48Å; W91-Y94 HydrophobicContact CZ3-CE1 3.48Å; W91-Y94 VanDerWaalsContact CZ3-CE1 3.48Å; W91-Y94 HydrophobicContact CZ3-CG 4.16Å; W91-Y94 WeakPolarHBondContact O-CB 3.38Å; W91-Y94 PolarHBondContact O-N 2.84Å; W91-W95 AromaticContact CD2-NE1 3.88Å; W91-W95 AromaticContact CE3-CD1 3.41Å; W91-W95 VanDerWaalsContact CE3-CD1 3.41Å; W91-W95 HydrophobicContact CE3-CD2 4.17Å; W91-W95 AromaticContact CE3-CE2 3.52Å; W91-W95 HydrophobicContact CE3-CG 4.09Å; W91-W95 HydrophobicContact CE3-CZ2 4.12Å; W91-W95 AromaticContact CE3-NE1 2.99Å; W91-W95 HydrophobicContact CH2-CZ2 4.36Å; W91-W95 HydrophobicContact CZ3-CD2 4.03Å; W91-W95 AromaticContact CZ3-CE2 3.39Å; W91-W95 HydrophobicContact CZ3-CG 4.38Å; W91-W95 HydrophobicContact CZ3-CH2 4.41Å; W91-W95 AromaticContact CZ3-CZ2 3.61Å; W91-W95 HydrophobicContact CZ3-CZ2 3.61Å; W91-W95 AromaticContact CZ3-NE1 3.42Å; W91-W95 PolarHBondContact O-N 3.48Å |
| 92 | L | 50.8 | Low | 52 | Low | 118 Ų | 118 | 93.6 Ų | 93.6 | 62% | 0.618 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.4 | -41.4 | 178.7 | -157.5 | 81.4 | 0 | 0 | 0 | 111.7 | D88 Y94 W95 V96 | D88-L92 WeakPolarHBondContact O-CB 3.35Å; D88-L92 PolarHBondContact O-N 2.91Å; L92-Y94 VanDerWaalsContact C-N 3.32Å; L92-Y94 PolarHBondContact O-N 2.69Å; L92-W95 PolarHBondContact O-N 2.94Å; L92-V96 VanDerWaalsContact O-CG2 3.32Å; L92-V96 WeakPolarHBondContact O-CG2 3.44Å; L92-V96 PolarHBondContact O-N 2.91Å |
| 93 | T | 54.1 | Low | 52.5 | Low | 83 Ų | 83 | 95.9 Ų | 95.9 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 176 | -55 | 0 | 0 | 0 | 0 | 111 | T89 W91 V96 V97 | T89-T93 WeakPolarHBondContact O-CB 3.45Å; T89-T93 PolarHBondContact O-N 3.06Å; T89-T93 PolarHBondContact O-OG1 3.15Å; W91-T93 VanDerWaalsContact C-N 3.33Å; W91-T93 PolarHBondContact O-N 2.84Å; T93-V96 PolarHBondContact O-N 2.73Å; T93-V97 VanDerWaalsContact O-CG2 3.3Å; T93-V97 WeakPolarHBondContact O-CG2 3.41Å; T93-V97 PolarHBondContact O-N 2.94Å |
| 94 | Y | 50.9 | Low | 52.9 | Low | 102 Ų | 102 | 91.6 Ų | 91.6 | 40% | 0.4 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 173.8 | 173.4 | -86.5 | 0 | 0 | 0 | 111.9 | P72 K90 W91 L92 V96 V97 Y98 | P72-Y94 HydrophobicContact CG-CE1 4.42Å; K90-Y94 PolarHBondContact O-N 3.39Å; W91-Y94 AromaticContact CE3-CD1 3.73Å; W91-Y94 HydrophobicContact CE3-CD1 3.73Å; W91-Y94 HydrophobicContact CE3-CE1 4.43Å; W91-Y94 HydrophobicContact CE3-CG 4.42Å; W91-Y94 AromaticContact CH2-CD1 3.91Å; W91-Y94 HydrophobicContact CH2-CD1 3.91Å; W91-Y94 AromaticContact CH2-CE1 3.87Å; W91-Y94 HydrophobicContact CH2-CE1 3.87Å; W91-Y94 AromaticContact CZ3-CD1 3.19Å; W91-Y94 HydrophobicContact CZ3-CD1 3.19Å; W91-Y94 AromaticContact CZ3-CE1 3.48Å; W91-Y94 HydrophobicContact CZ3-CE1 3.48Å; W91-Y94 VanDerWaalsContact CZ3-CE1 3.48Å; W91-Y94 HydrophobicContact CZ3-CG 4.16Å; W91-Y94 WeakPolarHBondContact O-CB 3.38Å; W91-Y94 PolarHBondContact O-N 2.84Å; L92-Y94 VanDerWaalsContact C-N 3.32Å; L92-Y94 PolarHBondContact O-N 2.69Å; Y94-V96 VanDerWaalsContact C-N 3.33Å; Y94-V96 PolarHBondContact O-N 3.44Å; Y94-V97 PolarHBondContact O-N 3.44Å; Y94-Y98 WeakPolarHBondContact O-CB 3.2Å; Y94-Y98 PolarHBondContact O-N 3.48Å |
| 95 | W | 55.3 | Low | 53.4 | Low | 97 Ų | 97 | 90 Ų | 90 | 37% | 0.367 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 177.8 | -77.2 | 121 | 0 | 0 | 0 | 112.8 | P72 W91 L92 Y98 G99 | P72-W95 HydrophobicContact CB-CH2 3.66Å; P72-W95 HydrophobicContact CB-CZ2 3.59Å; P72-W95 HydrophobicContact CG-CH2 4.02Å; P72-W95 HydrophobicContact CG-CZ2 4.34Å; W91-W95 AromaticContact CD2-NE1 3.88Å; W91-W95 AromaticContact CE3-CD1 3.41Å; W91-W95 VanDerWaalsContact CE3-CD1 3.41Å; W91-W95 HydrophobicContact CE3-CD2 4.17Å; W91-W95 AromaticContact CE3-CE2 3.52Å; W91-W95 HydrophobicContact CE3-CG 4.09Å; W91-W95 HydrophobicContact CE3-CZ2 4.12Å; W91-W95 AromaticContact CE3-NE1 2.99Å; W91-W95 HydrophobicContact CH2-CZ2 4.36Å; W91-W95 HydrophobicContact CZ3-CD2 4.03Å; W91-W95 AromaticContact CZ3-CE2 3.39Å; W91-W95 HydrophobicContact CZ3-CG 4.38Å; W91-W95 HydrophobicContact CZ3-CH2 4.41Å; W91-W95 AromaticContact CZ3-CZ2 3.61Å; W91-W95 HydrophobicContact CZ3-CZ2 3.61Å; W91-W95 AromaticContact CZ3-NE1 3.42Å; W91-W95 PolarHBondContact O-N 3.48Å; L92-W95 PolarHBondContact O-N 2.94Å; W95-Y98 HydrophobicContact CE3-CD1 4.39Å; W95-Y98 HydrophobicContact CZ3-CD1 4.42Å; W95-Y98 PolarHBondContact O-N 3.5Å; W95-G99 PolarHBondContact O-N 3.21Å |
| 96 | V | 57.8 | Low | 53.6 | Low | 90 Ų | 90 | 88.4 Ų | 88.4 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67 | -44.4 | 176.7 | 172 | 0 | 0 | 0 | 0 | 111 | L92 T93 Y94 Y98 G99 V100 | L92-V96 VanDerWaalsContact O-CG2 3.32Å; L92-V96 WeakPolarHBondContact O-CG2 3.44Å; L92-V96 PolarHBondContact O-N 2.91Å; T93-V96 PolarHBondContact O-N 2.73Å; Y94-V96 VanDerWaalsContact C-N 3.33Å; Y94-V96 PolarHBondContact O-N 3.44Å; V96-Y98 VanDerWaalsContact C-N 3.31Å; V96-Y98 PolarHBondContact O-N 2.77Å; V96-G99 PolarHBondContact O-N 3.06Å; V96-V100 WeakPolarHBondContact O-CG2 3.42Å; V96-V100 PolarHBondContact O-N 3.21Å |
| 97 | V | 57.1 | Low | 53.6 | Low | 95 Ų | 95 | 86.6 Ų | 86.6 | 58% | 0.576 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | 176.3 | 173 | 0 | 0 | 0 | 0 | 110.9 | T93 Y94 F101 | T93-V97 VanDerWaalsContact O-CG2 3.3Å; T93-V97 WeakPolarHBondContact O-CG2 3.41Å; T93-V97 PolarHBondContact O-N 2.94Å; Y94-V97 PolarHBondContact O-N 3.44Å; V97-F101 VanDerWaalsContact O-CB 3.28Å; V97-F101 WeakPolarHBondContact O-CB 3.18Å; V97-F101 PolarHBondContact O-N 2.83Å |
| 98 | Y | 56.8 | Low | 53.6 | Low | 43 Ų | 43 | 84.9 Ų | 84.9 | 17% | 0.169 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 176.3 | -176.1 | -100.8 | 0 | 0 | 0 | 112.2 | Y94 W95 V96 F101 S102 | Y94-Y98 WeakPolarHBondContact O-CB 3.2Å; Y94-Y98 PolarHBondContact O-N 3.48Å; W95-Y98 HydrophobicContact CE3-CD1 4.39Å; W95-Y98 HydrophobicContact CZ3-CD1 4.42Å; W95-Y98 PolarHBondContact O-N 3.5Å; V96-Y98 VanDerWaalsContact C-N 3.31Å; V96-Y98 PolarHBondContact O-N 2.77Å; Y98-F101 PolarHBondContact O-N 3.19Å; Y98-S102 PolarHBondContact O-N 3.3Å; Y98-S102 PolarHBondContact O-OG 3.17Å |
| 99 | G | 55.9 | Low | 53.6 | Low | 32 Ų | 32 | 82.7 Ų | 82.7 | 33% | 0.33 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | W95 V96 F101 S102 L103 | W95-G99 PolarHBondContact O-N 3.21Å; V96-G99 PolarHBondContact O-N 3.06Å; G99-F101 VanDerWaalsContact C-N 3.31Å; G99-F101 PolarHBondContact O-N 3.43Å; G99-S102 PolarHBondContact O-N 2.79Å; G99-L103 PolarHBondContact O-N 3.03Å |
| 100 | V | 55.3 | Low | 53.8 | Low | 104 Ų | 104 | 83.8 Ų | 83.8 | 63% | 0.63 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.1 | -38.1 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | V96 G104 | V96-V100 WeakPolarHBondContact O-CG2 3.42Å; V96-V100 PolarHBondContact O-N 3.21Å; V100-G104 PolarHBondContact O-N 3.08Å |
| 101 | F | 57.1 | Low | 53.8 | Low | 53 Ų | 53 | 84.4 Ų | 84.4 | 23% | 0.232 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.1 | -48 | 175.9 | -176.5 | -95.5 | 0 | 0 | 0 | 112 | V97 Y98 G99 L103 G104 E105 L126 | V97-F101 VanDerWaalsContact O-CB 3.28Å; V97-F101 WeakPolarHBondContact O-CB 3.18Å; V97-F101 PolarHBondContact O-N 2.83Å; Y98-F101 PolarHBondContact O-N 3.19Å; G99-F101 VanDerWaalsContact C-N 3.31Å; G99-F101 PolarHBondContact O-N 3.43Å; F101-L103 VanDerWaalsContact C-N 3.33Å; F101-L103 PolarHBondContact O-N 3.24Å; F101-G104 WeakPolarHBondContact O-CA 3.18Å; F101-G104 PolarHBondContact O-N 3.01Å; F101-G104 VanDerWaalsContact O-N 3.09Å; F101-E105 HydrophobicContact CD1-CG 4.27Å; F101-E105 VanDerWaalsContact CE1-CD 3.42Å; F101-E105 HydrophobicContact CE1-CG 3.98Å; F101-E105 HydrophobicContact CZ-CG 4.36Å; F101-E105 PolarHBondContact O-N 3.04Å; F101-L126 HydrophobicContact CD2-CD2 4.44Å; F101-L126 HydrophobicContact CE1-CD2 4.44Å; F101-L126 HydrophobicContact CE2-CD2 3.42Å; F101-L126 VanDerWaalsContact CE2-CD2 3.42Å; F101-L126 HydrophobicContact CZ-CD2 3.44Å; F101-L126 VanDerWaalsContact CZ-CD2 3.44Å |
| 102 | S | 54.5 | Low | 53.8 | Low | 41 Ų | 41 | 85.8 Ų | 85.8 | 29% | 0.287 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61 | -38.1 | 176.4 | -74.6 | 0 | 0 | 0 | 0 | 113.1 | Y98 G99 E105 F106 | Y98-S102 PolarHBondContact O-N 3.3Å; Y98-S102 PolarHBondContact O-OG 3.17Å; G99-S102 PolarHBondContact O-N 2.79Å; S102-E105 PolarHBondContact O-N 3.28Å; S102-F106 PolarHBondContact O-N 3.04Å; S102-F106 VanDerWaalsContact O-N 3.08Å |
| 103 | L | 56.7 | Low | 54 | Low | 119 Ų | 119 | 88.7 Ų | 88.7 | 62% | 0.623 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.4 | -41.2 | 173.2 | -105.7 | 77.8 | 0 | 0 | 0 | 111.9 | G99 F101 E105 F106 F107 | G99-L103 PolarHBondContact O-N 3.03Å; F101-L103 VanDerWaalsContact C-N 3.33Å; F101-L103 PolarHBondContact O-N 3.24Å; L103-E105 VanDerWaalsContact C-N 3.35Å; L103-F106 PolarHBondContact O-N 3.38Å; L103-F107 PolarHBondContact O-N 3.09Å |
| 104 | G | 56.2 | Low | 53.9 | Low | 35 Ų | 35 | 95.8 Ų | 95.8 | 36% | 0.361 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V100 F101 S108 | V100-G104 PolarHBondContact O-N 3.08Å; F101-G104 WeakPolarHBondContact O-CA 3.18Å; F101-G104 PolarHBondContact O-N 3.01Å; F101-G104 VanDerWaalsContact O-N 3.09Å; G104-S108 WeakPolarHBondContact O-CB 3.3Å; G104-S108 PolarHBondContact O-N 3.39Å; G104-S108 PolarHBondContact O-OG 3.47Å |
| 105 | E | 55.5 | Low | 53.7 | Low | 53 Ų | 53 | 97.1 Ų | 97.1 | 25% | 0.248 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 173.8 | -73.8 | -167.5 | 128.7 | 0 | 0 | 111.9 | F101 S102 L103 F107 S108 D109 L126 | F101-E105 HydrophobicContact CD1-CG 4.27Å; F101-E105 VanDerWaalsContact CE1-CD 3.42Å; F101-E105 HydrophobicContact CE1-CG 3.98Å; F101-E105 HydrophobicContact CZ-CG 4.36Å; F101-E105 PolarHBondContact O-N 3.04Å; S102-E105 PolarHBondContact O-N 3.28Å; L103-E105 VanDerWaalsContact C-N 3.35Å; E105-F107 PolarHBondContact O-N 3.11Å; E105-S108 PolarHBondContact O-N 3.05Å; E105-S108 VanDerWaalsContact O-N 3.15Å; E105-D109 PolarHBondContact O-N 2.9Å; E105-L126 HydrophobicContact CG-CD2 4.16Å |
| 106 | F | 53.3 | Low | 53.4 | Low | 152 Ų | 152 | 98 Ų | 98 | 67% | 0.667 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.7 | -43.4 | 179.5 | -155.4 | -93.9 | 0 | 0 | 0 | 112.1 | S102 L103 I110 | S102-F106 PolarHBondContact O-N 3.04Å; S102-F106 VanDerWaalsContact O-N 3.08Å; L103-F106 PolarHBondContact O-N 3.38Å; F106-I110 PolarHBondContact O-N 3.43Å |
| 107 | F | 50.8 | Low | 53 | Low | 122 Ų | 122 | 101.3 Ų | 101.3 | 54% | 0.535 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 172.7 | -100.7 | -102.2 | 0 | 0 | 0 | 111.8 | L103 E105 D109 I110 F111 | L103-F107 PolarHBondContact O-N 3.09Å; E105-F107 PolarHBondContact O-N 3.11Å; F107-D109 VanDerWaalsContact C-N 3.34Å; F107-D109 PolarHBondContact O-N 2.9Å; F107-I110 WeakPolarHBondContact O-CG2 3.46Å; F107-I110 PolarHBondContact O-N 2.91Å; F107-F111 AromaticContact CD1-CD2 3.78Å; F107-F111 HydrophobicContact CD1-CD2 3.78Å; F107-F111 AromaticContact CD1-CE2 3.34Å; F107-F111 HydrophobicContact CD1-CE2 3.34Å; F107-F111 HydrophobicContact CD1-CZ 4.45Å; F107-F111 HydrophobicContact CE1-CD2 4.45Å; F107-F111 AromaticContact CE1-CE2 3.57Å; F107-F111 HydrophobicContact CE1-CE2 3.57Å; F107-F111 HydrophobicContact CE1-CZ 4.36Å; F107-F111 HydrophobicContact CG-CE2 4.39Å; F107-F111 VanDerWaalsContact O-CD2 3.3Å; F107-F111 WeakPolarHBondContact O-CD2 3.5Å; F107-F111 PolarHBondContact O-N 3.29Å |
| 108 | S | 48 | Very low | 52.8 | Low | 46 Ų | 46 | 98.1 Ų | 98.1 | 32% | 0.322 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.8 | -33.8 | -178.1 | -67.1 | 0 | 0 | 0 | 0 | 112.4 | G104 E105 Y118 | G104-S108 WeakPolarHBondContact O-CB 3.3Å; G104-S108 PolarHBondContact O-N 3.39Å; G104-S108 PolarHBondContact O-OG 3.47Å; E105-S108 PolarHBondContact O-N 3.05Å; E105-S108 VanDerWaalsContact O-N 3.15Å; S108-Y118 WeakPolarHBondContact CA-OH 3.38Å; S108-Y118 VanDerWaalsContact CB-OH 3.23Å; S108-Y118 WeakPolarHBondContact CB-OH 3.24Å; S108-Y118 PolarHBondContact O-OH 3.46Å |
| 109 | D | 49.1 | Very low | 52.4 | Low | 66 Ų | 66 | 101.9 Ų | 101.9 | 35% | 0.353 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72.8 | -35.4 | 171.6 | -83 | -43.8 | 0 | 0 | 0 | 112.9 | E105 F107 K122 | E105-D109 PolarHBondContact O-N 2.9Å; F107-D109 VanDerWaalsContact C-N 3.34Å; F107-D109 PolarHBondContact O-N 2.9Å; D109-K122 IonicContact OD1-NZ 2.69Å; D109-K122 PolarHBondContact OD1-NZ 2.79Å; D109-K122 IonicContact OD2-NZ 2.84Å; D109-K122 PolarHBondContact OD2-NZ 2.97Å |
| 110 | I | 54.1 | Low | 52.2 | Low | 118 Ų | 118 | 103.5 Ų | 103.5 | 61% | 0.605 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.9 | -37 | -179.4 | -132.5 | 83 | 0 | 0 | 0 | 112.6 | F106 F107 | F106-I110 PolarHBondContact O-N 3.43Å; F107-I110 WeakPolarHBondContact O-CG2 3.46Å; F107-I110 PolarHBondContact O-N 2.91Å |
| 111 | F | 49.6 | Very low | 52 | Low | 149 Ų | 149 | 105.4 Ų | 105.4 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -89.2 | -23.8 | -172.5 | -83 | -79.9 | 0 | 0 | 0 | 114.8 | F107 | F107-F111 AromaticContact CD1-CD2 3.78Å; F107-F111 HydrophobicContact CD1-CD2 3.78Å; F107-F111 AromaticContact CD1-CE2 3.34Å; F107-F111 HydrophobicContact CD1-CE2 3.34Å; F107-F111 HydrophobicContact CD1-CZ 4.45Å; F107-F111 HydrophobicContact CE1-CD2 4.45Å; F107-F111 AromaticContact CE1-CE2 3.57Å; F107-F111 HydrophobicContact CE1-CE2 3.57Å; F107-F111 HydrophobicContact CE1-CZ 4.36Å; F107-F111 HydrophobicContact CG-CE2 4.39Å; F107-F111 VanDerWaalsContact O-CD2 3.3Å; F107-F111 WeakPolarHBondContact O-CD2 3.5Å; F107-F111 PolarHBondContact O-N 3.29Å |
| 112 | L | 51.9 | Low | 51.8 | Low | 83 Ų | 83 | 104 Ų | 104 | 44% | 0.435 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -129.1 | 9.6 | -164.4 | -72.1 | 164.2 | 0 | 0 | 0 | 115.1 | W114 F115 Y118 | L112-W114 PolarHBondContact O-N 3.48Å; L112-F115 PolarHBondContact O-N 2.76Å; L112-Y118 HydrophobicContact CB-CD1 3.91Å; L112-Y118 HydrophobicContact CB-CD2 3.86Å; L112-Y118 HydrophobicContact CB-CE1 3.53Å; L112-Y118 HydrophobicContact CB-CE2 3.54Å; L112-Y118 HydrophobicContact CB-CG 4.03Å; L112-Y118 HydrophobicContact CD1-CD2 4Å; L112-Y118 HydrophobicContact CD1-CE2 3.29Å; L112-Y118 HydrophobicContact CG-CD2 4.39Å; L112-Y118 HydrophobicContact CG-CE2 3.97Å; L112-Y118 WeakPolarHBondContact O-CD1 3.37Å |
| 113 | Y | 54 | Low | 51.6 | Low | 179 Ų | 179 | 104.9 Ų | 104.9 | 70% | 0.702 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -24.3 | 175.6 | 163.5 | -103 | 0 | 0 | 0 | 115 | ||
| 114 | W | 52.6 | Low | 51.7 | Low | 233 Ų | 233 | 104.8 Ų | 104.8 | 88% | 0.883 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -16.5 | -174.5 | -177.8 | -89.1 | 0 | 0 | 0 | 115.2 | L112 | L112-W114 PolarHBondContact O-N 3.48Š|
| 115 | F | 46 | Very low | 51.7 | Low | 130 Ų | 130 | 107.9 Ų | 107.9 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | trans | -104.9 | 122.9 | -166.5 | -148.3 | -92.4 | 0 | 0 | 0 | 114 | L112 F117 Y118 | L112-F115 PolarHBondContact O-N 2.76Å; F115-F117 HydrophobicContact CD1-CB 4.38Å; F115-F117 HydrophobicContact CE1-CB 4.35Å; F115-F117 PolarHBondContact O-N 3.46Å; F115-Y118 WeakPolarHBondContact O-CB 3.3Å; F115-Y118 PolarHBondContact O-N 2.81Å | ||
| 116 | P | 48.8 | Very low | 51.7 | Low | 116 Ų | 116 | 107.2 Ų | 107.2 | 75% | 0.753 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -20.4 | -169.2 | 25.3 | -32.9 | 0 | 0 | 0 | 116 | Y118 | P116-Y118 VanDerWaalsContact C-N 3.35Š|
| 117 | F | 49.7 | Very low | 52 | Low | 159 Ų | 159 | 106 Ų | 106 | 70% | 0.697 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 1.9 | 172.9 | -108.6 | -91 | 0 | 0 | 0 | 113.5 | F115 | F115-F117 HydrophobicContact CD1-CB 4.38Å; F115-F117 HydrophobicContact CE1-CB 4.35Å; F115-F117 PolarHBondContact O-N 3.46Å |
| 118 | Y | 53.3 | Low | 52.4 | Low | 27 Ų | 27 | 105.4 Ų | 105.4 | 11% | 0.106 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -70.2 | -43.4 | -172.4 | 172.5 | -122 | 0 | 0 | 0 | 113.2 | S108 L112 F115 P116 A120 F121 K122 | S108-Y118 WeakPolarHBondContact CA-OH 3.38Å; S108-Y118 VanDerWaalsContact CB-OH 3.23Å; S108-Y118 WeakPolarHBondContact CB-OH 3.24Å; S108-Y118 PolarHBondContact O-OH 3.46Å; L112-Y118 HydrophobicContact CB-CD1 3.91Å; L112-Y118 HydrophobicContact CB-CD2 3.86Å; L112-Y118 HydrophobicContact CB-CE1 3.53Å; L112-Y118 HydrophobicContact CB-CE2 3.54Å; L112-Y118 HydrophobicContact CB-CG 4.03Å; L112-Y118 HydrophobicContact CD1-CD2 4Å; L112-Y118 HydrophobicContact CD1-CE2 3.29Å; L112-Y118 HydrophobicContact CG-CD2 4.39Å; L112-Y118 HydrophobicContact CG-CE2 3.97Å; L112-Y118 WeakPolarHBondContact O-CD1 3.37Å; F115-Y118 WeakPolarHBondContact O-CB 3.3Å; F115-Y118 PolarHBondContact O-N 2.81Å; P116-Y118 VanDerWaalsContact C-N 3.35Å; Y118-A120 VanDerWaalsContact C-N 3.29Å; Y118-A120 PolarHBondContact O-N 3.33Å; Y118-F121 CarbonylContact O-C 3.58Å; Y118-F121 PolarHBondContact O-N 3.08Å; Y118-F121 VanDerWaalsContact O-N 3.15Å; Y118-K122 HydrophobicContact CD1-CD 4.44Å; Y118-K122 HydrophobicContact CD2-CB 4.33Å; Y118-K122 HydrophobicContact CE1-CB 4.39Å; Y118-K122 HydrophobicContact CE1-CD 3.67Å; Y118-K122 HydrophobicContact CE2-CB 3.99Å; Y118-K122 HydrophobicContact CE2-CD 4.49Å; Y118-K122 WeakPolarHBondContact O-CB 3.49Å; Y118-K122 PolarHBondContact O-N 2.92Å |
| 119 | Y | 48.1 | Very low | 52.6 | Low | 122 Ų | 122 | 104.6 Ų | 104.6 | 48% | 0.478 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -36.3 | -174.8 | -73.1 | -81.9 | 0 | 0 | 0 | 113.2 | C123 | Y119-C123 WeakPolarHBondContact O-CB 3.28Å; Y119-C123 PolarHBondContact O-N 2.74Å; Y119-C123 PolarHBondContact O-SG 3.05Å; Y119-C123 VanDerWaalsContact O-SG 3.34Å |
| 120 | A | 51.6 | Low | 52.5 | Low | 66 Ų | 66 | 108.3 Ų | 108.3 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.1 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y118 L124 | Y118-A120 VanDerWaalsContact C-N 3.29Å; Y118-A120 PolarHBondContact O-N 3.33Å; A120-L124 WeakPolarHBondContact O-CB 3.01Å; A120-L124 PolarHBondContact O-N 3.05Å |
| 121 | F | 51.1 | Low | 52.2 | Low | 145 Ų | 145 | 104.4 Ų | 104.4 | 64% | 0.636 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.7 | -36.6 | 174.5 | -109.9 | -84.2 | 0 | 0 | 0 | 112 | Y118 L124 F125 | Y118-F121 CarbonylContact O-C 3.58Å; Y118-F121 PolarHBondContact O-N 3.08Å; Y118-F121 VanDerWaalsContact O-N 3.15Å; F121-L124 PolarHBondContact O-N 3.43Å; F121-F125 WeakPolarHBondContact O-CB 3.26Å; F121-F125 PolarHBondContact O-N 3.23Å |
| 122 | K | 53.2 | Low | 51.8 | Low | 24 Ų | 24 | 103.6 Ų | 103.6 | 10% | 0.104 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 173.7 | 173.7 | 173.3 | 176.3 | 162.3 | 0 | 110.2 | D109 Y118 F125 L126 | D109-K122 IonicContact OD1-NZ 2.69Å; D109-K122 PolarHBondContact OD1-NZ 2.79Å; D109-K122 IonicContact OD2-NZ 2.84Å; D109-K122 PolarHBondContact OD2-NZ 2.97Å; Y118-K122 HydrophobicContact CD1-CD 4.44Å; Y118-K122 HydrophobicContact CD2-CB 4.33Å; Y118-K122 HydrophobicContact CE1-CB 4.39Å; Y118-K122 HydrophobicContact CE1-CD 3.67Å; Y118-K122 HydrophobicContact CE2-CB 3.99Å; Y118-K122 HydrophobicContact CE2-CD 4.49Å; Y118-K122 WeakPolarHBondContact O-CB 3.49Å; Y118-K122 PolarHBondContact O-N 2.92Å; K122-F125 PolarHBondContact O-N 3.19Å; K122-L126 HydrophobicContact CG-CD1 3.69Å; K122-L126 HydrophobicContact CG-CG 4.4Å; K122-L126 VanDerWaalsContact O-CB 3.23Å; K122-L126 WeakPolarHBondContact O-CB 3.35Å; K122-L126 WeakPolarHBondContact O-CD1 3Å; K122-L126 WeakPolarHBondContact O-CG 3.18Å; K122-L126 PolarHBondContact O-N 3.07Å |
| 123 | C | 50.4 | Low | 51.2 | Low | 58 Ų | 58 | 105.9 Ų | 105.9 | 39% | 0.392 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 175.1 | -75.4 | 0 | 0 | 0 | 0 | 111.8 | Y119 F125 L126 L127 | Y119-C123 WeakPolarHBondContact O-CB 3.28Å; Y119-C123 PolarHBondContact O-N 2.74Å; Y119-C123 PolarHBondContact O-SG 3.05Å; Y119-C123 VanDerWaalsContact O-SG 3.34Å; C123-F125 PolarHBondContact O-N 3.46Å; C123-L126 PolarHBondContact O-N 3.05Å; C123-L127 WeakPolarHBondContact O-CB 3.19Å; C123-L127 PolarHBondContact O-N 3.36Å |
| 124 | L | 58.6 | Low | 50.7 | Low | 118 Ų | 118 | 103.2 Ų | 103.2 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.2 | -37.9 | -179.9 | -164 | 70.3 | 0 | 0 | 0 | 112.3 | A120 F121 W128 | A120-L124 WeakPolarHBondContact O-CB 3.01Å; A120-L124 PolarHBondContact O-N 3.05Å; F121-L124 PolarHBondContact O-N 3.43Å; L124-W128 WeakPolarHBondContact O-CB 3.22Å; L124-W128 PolarHBondContact O-N 2.87Å |
| 125 | F | 55.8 | Low | 50.4 | Low | 99 Ų | 99 | 101.5 Ų | 101.5 | 43% | 0.434 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72 | -38.9 | 176.6 | -171.4 | -99.6 | 0 | 0 | 0 | 112.2 | F121 K122 C123 W128 C129 I141 | F121-F125 WeakPolarHBondContact O-CB 3.26Å; F121-F125 PolarHBondContact O-N 3.23Å; K122-F125 PolarHBondContact O-N 3.19Å; C123-F125 PolarHBondContact O-N 3.46Å; F125-W128 AromaticContact CD2-CE3 3.94Å; F125-W128 HydrophobicContact CD2-CE3 3.94Å; F125-W128 HydrophobicContact CD2-CZ3 4.25Å; F125-W128 HydrophobicContact CE2-CE3 4.04Å; F125-W128 AromaticContact CE2-CZ3 3.91Å; F125-W128 HydrophobicContact CE2-CZ3 3.91Å; F125-W128 PolarHBondContact O-N 2.91Å; F125-C129 WeakPolarHBondContact O-CB 3.23Å; F125-C129 PolarHBondContact O-N 3.44Å; F125-I141 HydrophobicContact CE1-CD1 3.81Å; F125-I141 HydrophobicContact CE2-CD1 3.96Å; F125-I141 HydrophobicContact CZ-CD1 3.18Å; F125-I141 HydrophobicContact CZ-CG1 4.1Å |
| 126 | L | 56.4 | Low | 50.8 | Low | 39 Ų | 39 | 98.3 Ų | 98.3 | 20% | 0.204 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 171.5 | -76.4 | 164.9 | 0 | 0 | 0 | 110.7 | F101 E105 K122 C123 W128 C129 M130 | F101-L126 HydrophobicContact CD2-CD2 4.44Å; F101-L126 HydrophobicContact CE1-CD2 4.44Å; F101-L126 HydrophobicContact CE2-CD2 3.42Å; F101-L126 VanDerWaalsContact CE2-CD2 3.42Å; F101-L126 HydrophobicContact CZ-CD2 3.44Å; F101-L126 VanDerWaalsContact CZ-CD2 3.44Å; E105-L126 HydrophobicContact CG-CD2 4.16Å; K122-L126 HydrophobicContact CG-CD1 3.69Å; K122-L126 HydrophobicContact CG-CG 4.4Å; K122-L126 VanDerWaalsContact O-CB 3.23Å; K122-L126 WeakPolarHBondContact O-CB 3.35Å; K122-L126 WeakPolarHBondContact O-CD1 3Å; K122-L126 WeakPolarHBondContact O-CG 3.18Å; K122-L126 PolarHBondContact O-N 3.07Å; C123-L126 PolarHBondContact O-N 3.05Å; L126-W128 VanDerWaalsContact C-N 3.29Å; L126-W128 PolarHBondContact O-N 3.46Å; L126-C129 CarbonylContact O-C 3.55Å; L126-C129 PolarHBondContact O-N 2.85Å; L126-C129 VanDerWaalsContact O-N 3.17Å; L126-M130 WeakPolarHBondContact O-CB 3.49Å; L126-M130 PolarHBondContact O-N 3.28Å |
| 127 | L | 59.6 | Low | 51.1 | Low | 126 Ų | 126 | 92.8 Ų | 92.8 | 66% | 0.66 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.5 | -36.6 | 175.8 | -130.7 | 138.9 | 0 | 0 | 0 | 111.6 | C123 M130 A131 | C123-L127 WeakPolarHBondContact O-CB 3.19Å; C123-L127 PolarHBondContact O-N 3.36Å; L127-M130 PolarHBondContact O-N 3.41Å; L127-A131 VanDerWaalsContact O-CB 3.31Å; L127-A131 WeakPolarHBondContact O-CB 3.45Å; L127-A131 PolarHBondContact O-N 2.94Å |
| 128 | W | 58.2 | Low | 51 | Low | 110 Ų | 110 | 88.1 Ų | 88.1 | 42% | 0.417 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.4 | -35.2 | 173.3 | -176.5 | 54.9 | 0 | 0 | 0 | 113 | L124 F125 L126 G137 | L124-W128 WeakPolarHBondContact O-CB 3.22Å; L124-W128 PolarHBondContact O-N 2.87Å; F125-W128 AromaticContact CD2-CE3 3.94Å; F125-W128 HydrophobicContact CD2-CE3 3.94Å; F125-W128 HydrophobicContact CD2-CZ3 4.25Å; F125-W128 HydrophobicContact CE2-CE3 4.04Å; F125-W128 AromaticContact CE2-CZ3 3.91Å; F125-W128 HydrophobicContact CE2-CZ3 3.91Å; F125-W128 PolarHBondContact O-N 2.91Å; L126-W128 VanDerWaalsContact C-N 3.29Å; L126-W128 PolarHBondContact O-N 3.46Å; W128-G137 VanDerWaalsContact CH2-CA 3.5Å |
| 129 | C | 52.9 | Low | 51 | Low | 29 Ų | 29 | 92.1 Ų | 92.1 | 20% | 0.196 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -75.4 | -27.4 | 173.1 | -90.1 | 0 | 0 | 0 | 0 | 113.6 | F125 L126 | F125-C129 WeakPolarHBondContact O-CB 3.23Å; F125-C129 PolarHBondContact O-N 3.44Å; L126-C129 CarbonylContact O-C 3.55Å; L126-C129 PolarHBondContact O-N 2.85Å; L126-C129 VanDerWaalsContact O-N 3.17Å |
| 130 | M | 47.1 | Very low | 51.5 | Low | 145 Ų | 145 | 89.6 Ų | 89.6 | 71% | 0.714 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -93.4 | -16.2 | -177.9 | -153.5 | -168.7 | -173.3 | 0 | 0 | 112.7 | L126 L127 P132 | L126-M130 WeakPolarHBondContact O-CB 3.49Å; L126-M130 PolarHBondContact O-N 3.28Å; L127-M130 PolarHBondContact O-N 3.41Å; M130-P132 WeakPolarHBondContact O-CD 3.22Å |
| 131 | A | 48 | Very low | 51.8 | Low | 36 Ų | 36 | 88.9 Ų | 88.9 | 30% | 0.298 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -62.2 | 120.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | L127 M133 | L127-A131 VanDerWaalsContact O-CB 3.31Å; L127-A131 WeakPolarHBondContact O-CB 3.45Å; L127-A131 PolarHBondContact O-N 2.94Å; A131-M133 PolarHBondContact O-N 3.44Å |
| 132 | P | 39.5 | Very low | 51.7 | Low | 132 Ų | 132 | 88.3 Ų | 88.3 | 86% | 0.857 | 46% | 0.455 | S | S | * | . | trans | -78.3 | 60.6 | -179.1 | 34.9 | -35.2 | 0 | 0 | 0 | 109.7 | M130 | M130-P132 WeakPolarHBondContact O-CD 3.22Š| ||
| 133 | M | 40.9 | Very low | 51.9 | Low | 131 Ų | 131 | 91.4 Ų | 91.4 | 65% | 0.645 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -116.4 | 142.9 | 178.2 | -157.4 | 93.3 | -87.2 | 0 | 0 | 108.1 | A131 W135 N136 | A131-M133 PolarHBondContact O-N 3.44Å; M133-W135 PolarHBondContact O-N 3.3Å; M133-N136 PolarHBondContact O-N 2.89Å |
| 134 | S | 43.6 | Very low | 52.2 | Low | 122 Ų | 122 | 96.7 Ų | 96.7 | 85% | 0.853 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -55.7 | -14.1 | -176.3 | 48 | 0 | 0 | 0 | 0 | 114.9 | N136 | S134-N136 PolarHBondContact O-N 3.34Š|
| 135 | W | 45.9 | Very low | 52 | Low | 198 Ų | 198 | 95.1 Ų | 95.1 | 75% | 0.75 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -95.5 | 61.4 | 174.2 | -147 | 11.1 | 0 | 0 | 0 | 111.3 | M133 G137 | M133-W135 PolarHBondContact O-N 3.3Å; W135-G137 PolarHBondContact O-N 3.46Å |
| 136 | N | 54.4 | Low | 51.8 | Low | 63 Ų | 63 | 93.1 Ų | 93.1 | 34% | 0.337 | 48% | 0.48 | S | S | . | . | trans | -62.1 | 113.4 | -177.8 | -89.8 | -68.7 | 0 | 0 | 0 | 111.5 | M133 S134 S138 Q139 I140 | M133-N136 PolarHBondContact O-N 2.89Å; S134-N136 PolarHBondContact O-N 3.34Å; N136-S138 PolarHBondContact O-N 2.74Å; N136-Q139 HydrophobicContact CB-CB 4.04Å; N136-Q139 HydrophobicContact CB-CG 3.89Å; N136-Q139 WeakPolarHBondContact O-CB 3.41Å; N136-Q139 PolarHBondContact O-N 2.83Å; N136-Q139 VanDerWaalsContact O-N 3.08Å; N136-I140 PolarHBondContact O-N 2.79Å | ||
| 137 | G | 53.9 | Low | 51.5 | Low | 0 Ų | 0 | 98.2 Ų | 98.2 | 0% | 0 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -56.6 | -35.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | W128 W135 Q139 I140 I141 | W128-G137 VanDerWaalsContact CH2-CA 3.5Å; W135-G137 PolarHBondContact O-N 3.46Å; G137-Q139 VanDerWaalsContact C-N 3.34Å; G137-Q139 PolarHBondContact O-N 2.78Å; G137-I140 PolarHBondContact O-N 3.38Å; G137-I141 WeakPolarHBondContact O-CD1 3.38Å; G137-I141 VanDerWaalsContact O-CG1 3.31Å; G137-I141 WeakPolarHBondContact O-CG1 3.44Å; G137-I141 PolarHBondContact O-N 3.1Å |
| 138 | S | 47.9 | Very low | 51.2 | Low | 60 Ų | 60 | 95.5 Ų | 95.5 | 42% | 0.42 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -55.9 | -42.8 | 173.8 | 135.7 | 0 | 0 | 0 | 0 | 112.9 | N136 I140 I141 Y142 | N136-S138 PolarHBondContact O-N 2.74Å; S138-I140 PolarHBondContact O-N 3Å; S138-I141 PolarHBondContact O-N 3.48Å; S138-Y142 VanDerWaalsContact O-CB 3.23Å; S138-Y142 WeakPolarHBondContact O-CB 3.33Å; S138-Y142 PolarHBondContact O-N 3.36Å |
| 139 | Q | 53.8 | Low | 51.1 | Low | 112 Ų | 112 | 94 Ų | 94 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.5 | -35.8 | 179.7 | -79.7 | -79.2 | -15.2 | 0 | 0 | 112.4 | N136 G137 N143 | N136-Q139 HydrophobicContact CB-CB 4.04Å; N136-Q139 HydrophobicContact CB-CG 3.89Å; N136-Q139 WeakPolarHBondContact O-CB 3.41Å; N136-Q139 PolarHBondContact O-N 2.83Å; N136-Q139 VanDerWaalsContact O-N 3.08Å; G137-Q139 VanDerWaalsContact C-N 3.34Å; G137-Q139 PolarHBondContact O-N 2.78Å; Q139-N143 WeakPolarHBondContact O-CB 3.24Å; Q139-N143 PolarHBondContact O-N 2.95Å |
| 140 | I | 57.9 | Low | 51.1 | Low | 68 Ų | 68 | 99 Ų | 99 | 35% | 0.349 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.8 | -45.4 | 177.8 | -71.8 | 166.1 | 0 | 0 | 0 | 110.6 | N136 G137 S138 Y142 N143 K144 | N136-I140 PolarHBondContact O-N 2.79Å; G137-I140 PolarHBondContact O-N 3.38Å; S138-I140 PolarHBondContact O-N 3Å; I140-Y142 VanDerWaalsContact C-N 3.34Å; I140-N143 PolarHBondContact O-N 3.42Å; I140-K144 WeakPolarHBondContact O-CB 3.37Å; I140-K144 PolarHBondContact O-N 2.88Å |
| 141 | I | 58.5 | Low | 51.6 | Low | 51 Ų | 51 | 97.4 Ų | 97.4 | 26% | 0.262 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 178.3 | -64.9 | 151.5 | 0 | 0 | 0 | 110.2 | F125 G137 S138 V145 V146 | F125-I141 HydrophobicContact CE1-CD1 3.81Å; F125-I141 HydrophobicContact CE2-CD1 3.96Å; F125-I141 HydrophobicContact CZ-CD1 3.18Å; F125-I141 HydrophobicContact CZ-CG1 4.1Å; G137-I141 WeakPolarHBondContact O-CD1 3.38Å; G137-I141 VanDerWaalsContact O-CG1 3.31Å; G137-I141 WeakPolarHBondContact O-CG1 3.44Å; G137-I141 PolarHBondContact O-N 3.1Å; S138-I141 PolarHBondContact O-N 3.48Å; I141-V145 WeakPolarHBondContact O-CB 3.47Å; I141-V145 PolarHBondContact O-N 3.47Å; I141-V146 HydrophobicContact CG2-CG2 4.48Å; I141-V146 PolarHBondContact O-N 2.8Å |
| 142 | Y | 50.1 | Low | 52 | Low | 134 Ų | 134 | 105.6 Ų | 105.6 | 53% | 0.525 | 53% | 0.525 | S | S | . | . | I | π-helix | trans | -60.1 | -49.5 | 177.6 | -168.1 | -94.4 | 0 | 0 | 0 | 111.2 | S138 I140 V146 R147 | S138-Y142 VanDerWaalsContact O-CB 3.23Å; S138-Y142 WeakPolarHBondContact O-CB 3.33Å; S138-Y142 PolarHBondContact O-N 3.36Å; I140-Y142 VanDerWaalsContact C-N 3.34Å; Y142-V146 HydrophobicContact CD2-CB 4.09Å; Y142-V146 HydrophobicContact CD2-CG1 4.05Å; Y142-V146 HydrophobicContact CD2-CG2 4.41Å; Y142-V146 HydrophobicContact CE2-CG1 4.03Å; Y142-V146 PolarHBondContact O-N 3.23Å; Y142-R147 WeakPolarHBondContact O-CB 3.46Å; Y142-R147 PolarHBondContact O-N 3.42Å |
| 143 | N | 57.2 | Low | 52.7 | Low | 88 Ų | 88 | 103.8 Ų | 103.8 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | I | π-helix | trans | -72.7 | -34.6 | -179.1 | -87.8 | -34.2 | 0 | 0 | 0 | 114.5 | Q139 I140 R147 | Q139-N143 WeakPolarHBondContact O-CB 3.24Å; Q139-N143 PolarHBondContact O-N 2.95Å; I140-N143 PolarHBondContact O-N 3.42Å; N143-R147 WeakPolarHBondContact OD1-CD 3.25Å |
| 144 | K | 55.6 | Low | 53.2 | Low | 169 Ų | 169 | 101.8 Ų | 101.8 | 74% | 0.735 | 49% | 0.494 | S | S | * | . | I | π-helix | trans | -89.2 | -29.7 | -176.4 | -88.9 | -159.4 | 173.2 | -175.6 | 0 | 115 | I140 P148 | I140-K144 WeakPolarHBondContact O-CB 3.37Å; I140-K144 PolarHBondContact O-N 2.88Å; K144-P148 WeakPolarHBondContact O-CG 3.45Å |
| 145 | V | 53.8 | Low | 53.8 | Low | 86 Ų | 86 | 99 Ų | 99 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | I | π-helix | trans | -119.5 | -51.9 | -170 | -175.1 | 0 | 0 | 0 | 0 | 110.7 | I141 P148 V149 | I141-V145 WeakPolarHBondContact O-CB 3.47Å; I141-V145 PolarHBondContact O-N 3.47Å; V145-P148 WeakPolarHBondContact O-CD 3.42Å; V145-P148 WeakPolarHBondContact O-CG 3.06Å; V145-V149 WeakPolarHBondContact O-CB 3.43Å; V145-V149 WeakPolarHBondContact O-CG2 2.97Å; V145-V149 PolarHBondContact O-N 2.75Å |
| 146 | V | 52.8 | Low | 54.4 | Low | 56 Ų | 56 | 92.7 Ų | 92.7 | 34% | 0.339 | 46% | 0.462 | S | S | . | . | I | π-helix | trans | -69.5 | -50 | -175.7 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | I141 Y142 V149 F150 | I141-V146 HydrophobicContact CG2-CG2 4.48Å; I141-V146 PolarHBondContact O-N 2.8Å; Y142-V146 HydrophobicContact CD2-CB 4.09Å; Y142-V146 HydrophobicContact CD2-CG1 4.05Å; Y142-V146 HydrophobicContact CD2-CG2 4.41Å; Y142-V146 HydrophobicContact CE2-CG1 4.03Å; Y142-V146 PolarHBondContact O-N 3.23Å; V146-V149 PolarHBondContact O-N 3.12Å; V146-V149 VanDerWaalsContact O-N 3.17Å; V146-F150 VanDerWaalsContact O-CB 3.26Å; V146-F150 WeakPolarHBondContact O-CB 3.1Å; V146-F150 PolarHBondContact O-N 3.29Å |
| 147 | R | 50 | Low | 54.5 | Low | 147 Ų | 147 | 93.1 Ų | 93.1 | 56% | 0.555 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -54.9 | -48.9 | -178.5 | -148.3 | 176.2 | -159 | -119.4 | 2 | 113.7 | Y142 N143 L151 | Y142-R147 WeakPolarHBondContact O-CB 3.46Å; Y142-R147 PolarHBondContact O-N 3.42Å; N143-R147 WeakPolarHBondContact OD1-CD 3.25Å; R147-L151 HydrophobicContact CG-CD1 4.37Å; R147-L151 WeakPolarHBondContact O-CB 3.39Å; R147-L151 WeakPolarHBondContact O-CD1 3.29Å; R147-L151 WeakPolarHBondContact O-CG 3.32Å; R147-L151 PolarHBondContact O-N 3.34Å |
| 148 | P | 52.6 | Low | 54.8 | Low | 68 Ų | 68 | 98 Ų | 98 | 44% | 0.442 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.8 | -27.7 | 177.7 | 26.3 | -33.4 | 0 | 0 | 0 | 113.9 | K144 V145 R152 | K144-P148 WeakPolarHBondContact O-CG 3.45Å; V145-P148 WeakPolarHBondContact O-CD 3.42Å; V145-P148 WeakPolarHBondContact O-CG 3.06Å; P148-R152 VanDerWaalsContact O-CB 3.24Å; P148-R152 WeakPolarHBondContact O-CB 3.22Å; P148-R152 PolarHBondContact O-N 3.27Å |
| 149 | V | 56.3 | Low | 55.7 | Low | 80 Ų | 80 | 100.5 Ų | 100.5 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -74.9 | -40 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 111 | V145 V146 R152 H153 | V145-V149 WeakPolarHBondContact O-CB 3.43Å; V145-V149 WeakPolarHBondContact O-CG2 2.97Å; V145-V149 PolarHBondContact O-N 2.75Å; V146-V149 PolarHBondContact O-N 3.12Å; V146-V149 VanDerWaalsContact O-N 3.17Å; V149-R152 PolarHBondContact O-N 3.04Å; V149-H153 PolarHBondContact O-N 2.69Å; V149-H153 VanDerWaalsContact O-N 3.08Å; V149-H153 PolarHBondContact O-ND1 3.13Å |
| 150 | F | 52.8 | Low | 56.1 | Low | 133 Ų | 133 | 101.4 Ų | 101.4 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.8 | -49.5 | 178.2 | -153.4 | -89.9 | 0 | 0 | 0 | 110.9 | V146 R152 H153 E154 | V146-F150 VanDerWaalsContact O-CB 3.26Å; V146-F150 WeakPolarHBondContact O-CB 3.1Å; V146-F150 PolarHBondContact O-N 3.29Å; F150-R152 PolarHBondContact O-N 2.98Å; F150-R152 VanDerWaalsContact O-N 3.11Å; F150-H153 CarbonylContact O-C 3.48Å; F150-H153 PolarHBondContact O-N 3.08Å; F150-E154 WeakPolarHBondContact O-CB 3.22Å; F150-E154 PolarHBondContact O-N 3.33Å |
| 151 | L | 57.7 | Low | 56.6 | Low | 112 Ų | 112 | 102.5 Ų | 102.5 | 59% | 0.586 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.5 | -26.2 | 173.4 | -82.6 | 160.9 | 0 | 0 | 0 | 113.3 | R147 | R147-L151 HydrophobicContact CG-CD1 4.37Å; R147-L151 WeakPolarHBondContact O-CB 3.39Å; R147-L151 WeakPolarHBondContact O-CD1 3.29Å; R147-L151 WeakPolarHBondContact O-CG 3.32Å; R147-L151 PolarHBondContact O-N 3.34Å |
| 152 | R | 57.2 | Low | 57.1 | Low | 208 Ų | 208 | 103.8 Ų | 103.8 | 79% | 0.785 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -83.7 | -22.1 | 177.9 | -166.2 | 171.8 | -176 | 148.3 | 1.3 | 113.3 | P148 V149 F150 | P148-R152 VanDerWaalsContact O-CB 3.24Å; P148-R152 WeakPolarHBondContact O-CB 3.22Å; P148-R152 PolarHBondContact O-N 3.27Å; V149-R152 PolarHBondContact O-N 3.04Å; F150-R152 PolarHBondContact O-N 2.98Å; F150-R152 VanDerWaalsContact O-N 3.11Å |
| 153 | H | 54.1 | Low | 58.5 | Low | 94 Ų | 94 | 101.8 Ų | 101.8 | 44% | 0.435 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -114.1 | -3 | -178.8 | -68.2 | 83.4 | 0 | 0 | 0 | 113.6 | V149 F150 A155 T156 V157 | V149-H153 PolarHBondContact O-N 2.69Å; V149-H153 VanDerWaalsContact O-N 3.08Å; V149-H153 PolarHBondContact O-ND1 3.13Å; F150-H153 CarbonylContact O-C 3.48Å; F150-H153 PolarHBondContact O-N 3.08Å; H153-A155 VanDerWaalsContact C-N 3.26Å; H153-A155 PolarHBondContact O-N 3.18Å; H153-T156 CarbonylContact O-C 3.57Å; H153-T156 WeakPolarHBondContact O-CA 3.49Å; H153-T156 WeakPolarHBondContact O-CB 3.4Å; H153-T156 PolarHBondContact O-N 3.26Å; H153-V157 WeakPolarHBondContact O-CG2 3.31Å; H153-V157 PolarHBondContact O-N 2.86Å |
| 154 | E | 51.3 | Low | 59.3 | Low | 89 Ų | 89 | 103.7 Ų | 103.7 | 42% | 0.416 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -54.3 | -45.8 | 176.3 | -168.6 | 173.3 | -147.6 | 0 | 0 | 110.1 | F150 T156 V157 D158 | F150-E154 WeakPolarHBondContact O-CB 3.22Å; F150-E154 PolarHBondContact O-N 3.33Å; E154-T156 VanDerWaalsContact C-N 3.3Å; E154-T156 PolarHBondContact O-N 3.08Å; E154-V157 PolarHBondContact O-N 3.47Å; E154-D158 WeakPolarHBondContact O-CB 3.3Å; E154-D158 PolarHBondContact O-N 3.2Å |
| 155 | A | 55.9 | Low | 60.4 | Low | 63 Ų | 63 | 98.9 Ų | 98.9 | 52% | 0.521 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.6 | -37.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H153 N159 | H153-A155 VanDerWaalsContact C-N 3.26Å; H153-A155 PolarHBondContact O-N 3.18Å; A155-N159 VanDerWaalsContact O-CB 3.22Å; A155-N159 WeakPolarHBondContact O-CB 3.33Å; A155-N159 VanDerWaalsContact O-CG 3.25Å; A155-N159 PolarHBondContact O-N 2.92Å; A155-N159 VanDerWaalsContact O-N 3.08Å; A155-N159 PolarHBondContact O-ND2 2.84Å |
| 156 | T | 58.4 | Low | 61.6 | Low | 66 Ų | 66 | 96.3 Ų | 96.3 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -75.8 | -39.1 | -179.8 | -50.9 | 0 | 0 | 0 | 0 | 112 | H153 E154 M160 | H153-T156 CarbonylContact O-C 3.57Å; H153-T156 WeakPolarHBondContact O-CA 3.49Å; H153-T156 WeakPolarHBondContact O-CB 3.4Å; H153-T156 PolarHBondContact O-N 3.26Å; E154-T156 VanDerWaalsContact C-N 3.3Å; E154-T156 PolarHBondContact O-N 3.08Å; T156-M160 HydrophobicContact CG2-CE 4.13Å; T156-M160 WeakPolarHBondContact O-CB 3.15Å; T156-M160 VanDerWaalsContact O-CG 3.3Å; T156-M160 WeakPolarHBondContact O-CG 3.46Å; T156-M160 PolarHBondContact O-N 3.47Å |
| 157 | V | 55.7 | Low | 63 | Low | 72 Ų | 72 | 99.8 Ų | 99.8 | 44% | 0.436 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.4 | -44.1 | 178.4 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | H153 E154 N159 M160 V161 | H153-V157 WeakPolarHBondContact O-CG2 3.31Å; H153-V157 PolarHBondContact O-N 2.86Å; E154-V157 PolarHBondContact O-N 3.47Å; V157-N159 VanDerWaalsContact C-N 3.33Å; V157-N159 PolarHBondContact O-N 3.44Å; V157-M160 PolarHBondContact O-N 2.86Å; V157-V161 HydrophobicContact CG1-CG2 4.35Å; V157-V161 WeakPolarHBondContact O-CB 3.48Å; V157-V161 WeakPolarHBondContact O-CG2 3.32Å; V157-V161 PolarHBondContact O-N 2.96Å |
| 158 | D | 61.6 | Low | 64.2 | Low | 102 Ų | 102 | 95.7 Ų | 95.7 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 175.2 | -82.9 | -9.4 | 0 | 0 | 0 | 111.5 | E154 V161 S162 | E154-D158 WeakPolarHBondContact O-CB 3.3Å; E154-D158 PolarHBondContact O-N 3.2Å; D158-V161 PolarHBondContact O-N 2.94Å; D158-S162 WeakPolarHBondContact O-CB 3.3Å; D158-S162 PolarHBondContact O-N 3.24Å |
| 159 | N | 66.1 | Low | 65.3 | Low | 112 Ų | 112 | 98.4 Ų | 98.4 | 60% | 0.599 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.1 | -41.5 | 173.2 | -83.2 | -57.2 | 0 | 0 | 0 | 111.6 | A155 V157 D163 | A155-N159 VanDerWaalsContact O-CB 3.22Å; A155-N159 WeakPolarHBondContact O-CB 3.33Å; A155-N159 VanDerWaalsContact O-CG 3.25Å; A155-N159 PolarHBondContact O-N 2.92Å; A155-N159 VanDerWaalsContact O-N 3.08Å; A155-N159 PolarHBondContact O-ND2 2.84Å; V157-N159 VanDerWaalsContact C-N 3.33Å; V157-N159 PolarHBondContact O-N 3.44Å; N159-D163 WeakPolarHBondContact O-CB 3.11Å; N159-D163 PolarHBondContact O-N 2.83Å |
| 160 | M | 62.3 | Low | 66.3 | Low | 131 Ų | 131 | 97.5 Ų | 97.5 | 65% | 0.645 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.3 | -42.5 | 177 | -77 | -178.4 | 176.1 | 0 | 0 | 112.5 | T156 V157 D163 L164 | T156-M160 HydrophobicContact CG2-CE 4.13Å; T156-M160 WeakPolarHBondContact O-CB 3.15Å; T156-M160 VanDerWaalsContact O-CG 3.3Å; T156-M160 WeakPolarHBondContact O-CG 3.46Å; T156-M160 PolarHBondContact O-N 3.47Å; V157-M160 PolarHBondContact O-N 2.86Å; M160-D163 PolarHBondContact O-N 2.9Å; M160-L164 VanDerWaalsContact O-CB 3.31Å; M160-L164 WeakPolarHBondContact O-CB 3.18Å; M160-L164 PolarHBondContact O-N 3.43Å |
| 161 | V | 67.7 | Low | 67.4 | Low | 91 Ų | 91 | 93.7 Ų | 93.7 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.5 | -40.8 | 177.9 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | V157 D158 L164 S165 | V157-V161 HydrophobicContact CG1-CG2 4.35Å; V157-V161 WeakPolarHBondContact O-CB 3.48Å; V157-V161 WeakPolarHBondContact O-CG2 3.32Å; V157-V161 PolarHBondContact O-N 2.96Å; D158-V161 PolarHBondContact O-N 2.94Å; V161-L164 PolarHBondContact O-N 2.85Å; V161-S165 WeakPolarHBondContact O-CB 3.31Å; V161-S165 PolarHBondContact O-N 3.48Å |
| 162 | S | 70.3 | Confident | 68.1 | Low | 79 Ų | 79 | 90.8 Ų | 90.8 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65 | -41.4 | 175 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | D158 S165 G166 | D158-S162 WeakPolarHBondContact O-CB 3.3Å; D158-S162 PolarHBondContact O-N 3.24Å; S162-S165 PolarHBondContact O-N 2.8Å; S162-G166 PolarHBondContact O-N 3.46Å |
| 163 | D | 79.9 | Confident | 68.9 | Low | 91 Ų | 91 | 86.7 Ų | 86.7 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.3 | -36 | 179 | -158.1 | 55.5 | 0 | 0 | 0 | 111.8 | N159 M160 K167 | N159-D163 WeakPolarHBondContact O-CB 3.11Å; N159-D163 PolarHBondContact O-N 2.83Å; M160-D163 PolarHBondContact O-N 2.9Å; D163-K167 WeakPolarHBondContact O-CB 3.27Å; D163-K167 WeakPolarHBondContact O-CD 3.42Å; D163-K167 VanDerWaalsContact O-CG 3.23Å; D163-K167 WeakPolarHBondContact O-CG 3.39Å; D163-K167 PolarHBondContact O-N 2.9Å; D163-K167 WeakPolarHBondContact OD2-CE 3.26Å; D163-K167 IonicContact OD2-NZ 2.7Å; D163-K167 PolarHBondContact OD2-NZ 2.7Å |
| 164 | L | 73.8 | Confident | 69.7 | Low | 129 Ų | 129 | 86.2 Ų | 86.2 | 68% | 0.675 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.1 | -42 | 174.4 | -144.1 | 76.2 | 0 | 0 | 0 | 111.9 | M160 V161 K167 A168 | M160-L164 VanDerWaalsContact O-CB 3.31Å; M160-L164 WeakPolarHBondContact O-CB 3.18Å; M160-L164 PolarHBondContact O-N 3.43Å; V161-L164 PolarHBondContact O-N 2.85Å; L164-K167 PolarHBondContact O-N 3.45Å; L164-A168 VanDerWaalsContact O-CB 3.27Å; L164-A168 WeakPolarHBondContact O-CB 3.23Å; L164-A168 PolarHBondContact O-N 3.46Å |
| 165 | S | 77.8 | Confident | 70.5 | Confident | 67 Ų | 67 | 88.1 Ų | 88.1 | 47% | 0.469 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 175.4 | -175.6 | 0 | 0 | 0 | 0 | 111 | V161 S162 A168 M169 | V161-S165 WeakPolarHBondContact O-CB 3.31Å; V161-S165 PolarHBondContact O-N 3.48Å; S162-S165 PolarHBondContact O-N 2.8Å; S165-A168 PolarHBondContact O-N 2.88Å; S165-M169 VanDerWaalsContact O-CB 3.26Å; S165-M169 WeakPolarHBondContact O-CB 3.32Å; S165-M169 PolarHBondContact O-N 3.42Å |
| 166 | G | 79.4 | Confident | 71.1 | Confident | 33 Ų | 33 | 90.6 Ų | 90.6 | 34% | 0.34 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -48.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | S162 A168 M169 S170 | S162-G166 PolarHBondContact O-N 3.46Å; G166-A168 PolarHBondContact O-N 2.93Å; G166-M169 PolarHBondContact O-N 2.92Å; G166-S170 WeakPolarHBondContact O-CB 3.36Å; G166-S170 PolarHBondContact O-N 3.45Å; G166-S170 PolarHBondContact O-OG 3.29Å; G166-S170 VanDerWaalsContact O-OG 3.05Å |
| 167 | K | 81.3 | Confident | 71.2 | Confident | 128 Ų | 128 | 97 Ų | 97 | 56% | 0.557 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62 | -41.2 | 176.3 | -77.4 | 167.6 | 176.8 | 158.8 | 0 | 112.8 | D163 L164 A171 | D163-K167 WeakPolarHBondContact O-CB 3.27Å; D163-K167 WeakPolarHBondContact O-CD 3.42Å; D163-K167 VanDerWaalsContact O-CG 3.23Å; D163-K167 WeakPolarHBondContact O-CG 3.39Å; D163-K167 PolarHBondContact O-N 2.9Å; D163-K167 WeakPolarHBondContact OD2-CE 3.26Å; D163-K167 IonicContact OD2-NZ 2.7Å; D163-K167 PolarHBondContact OD2-NZ 2.7Å; L164-K167 PolarHBondContact O-N 3.45Å; K167-A171 VanDerWaalsContact O-CB 3.27Å; K167-A171 WeakPolarHBondContact O-CB 3.47Å; K167-A171 PolarHBondContact O-N 2.91Å |
| 168 | A | 76.1 | Confident | 71.4 | Confident | 61 Ų | 61 | 100.9 Ų | 100.9 | 50% | 0.504 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.2 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L164 S165 G166 A171 A172 | L164-A168 VanDerWaalsContact O-CB 3.27Å; L164-A168 WeakPolarHBondContact O-CB 3.23Å; L164-A168 PolarHBondContact O-N 3.46Å; S165-A168 PolarHBondContact O-N 2.88Å; G166-A168 PolarHBondContact O-N 2.93Å; A168-A171 PolarHBondContact O-N 2.79Å; A168-A172 WeakPolarHBondContact O-CB 3.27Å; A168-A172 PolarHBondContact O-N 3.05Å |
| 169 | M | 75.5 | Confident | 70.9 | Confident | 125 Ų | 125 | 98.6 Ų | 98.6 | 62% | 0.616 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.2 | -42.9 | 177.9 | -165.9 | 173.7 | -70 | 0 | 0 | 111.4 | S165 G166 A171 A172 E173 | S165-M169 VanDerWaalsContact O-CB 3.26Å; S165-M169 WeakPolarHBondContact O-CB 3.32Å; S165-M169 PolarHBondContact O-N 3.42Å; G166-M169 PolarHBondContact O-N 2.92Å; M169-A171 VanDerWaalsContact C-N 3.33Å; M169-A171 PolarHBondContact O-N 3.48Å; M169-A172 PolarHBondContact O-N 3.3Å; M169-E173 VanDerWaalsContact O-CB 3.25Å; M169-E173 WeakPolarHBondContact O-CB 3.49Å; M169-E173 PolarHBondContact O-N 2.93Å |
| 170 | S | 76.6 | Confident | 70.1 | Confident | 62 Ų | 62 | 98.7 Ų | 98.7 | 43% | 0.434 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.4 | -33.9 | 173.9 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | G166 N174 | G166-S170 WeakPolarHBondContact O-CB 3.36Å; G166-S170 PolarHBondContact O-N 3.45Å; G166-S170 PolarHBondContact O-OG 3.29Å; G166-S170 VanDerWaalsContact O-OG 3.05Å; S170-N174 WeakPolarHBondContact O-CB 3.25Å; S170-N174 PolarHBondContact O-N 3.43Å; S170-N174 PolarHBondContact O-ND2 2.82Å |
| 171 | A | 76.1 | Confident | 69.8 | Low | 52 Ų | 52 | 97.6 Ų | 97.6 | 43% | 0.43 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.1 | -44.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K167 A168 M169 E173 N174 L175 | K167-A171 VanDerWaalsContact O-CB 3.27Å; K167-A171 WeakPolarHBondContact O-CB 3.47Å; K167-A171 PolarHBondContact O-N 2.91Å; A168-A171 PolarHBondContact O-N 2.79Å; M169-A171 VanDerWaalsContact C-N 3.33Å; M169-A171 PolarHBondContact O-N 3.48Å; A171-E173 VanDerWaalsContact C-N 3.33Å; A171-E173 PolarHBondContact O-N 3.44Å; A171-N174 PolarHBondContact O-N 3.24Å; A171-L175 WeakPolarHBondContact O-CB 3.33Å; A171-L175 VanDerWaalsContact O-CG 3.24Å; A171-L175 WeakPolarHBondContact O-CG 3.37Å; A171-L175 PolarHBondContact O-N 3.49Å |
| 172 | A | 73.2 | Confident | 68.8 | Low | 52 Ų | 52 | 97 Ų | 97 | 43% | 0.43 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.5 | -38.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A168 M169 L175 T176 | A168-A172 WeakPolarHBondContact O-CB 3.27Å; A168-A172 PolarHBondContact O-N 3.05Å; M169-A172 PolarHBondContact O-N 3.3Å; A172-L175 PolarHBondContact O-N 2.92Å; A172-T176 WeakPolarHBondContact O-CB 3.24Å; A172-T176 PolarHBondContact O-N 2.82Å; A172-T176 PolarHBondContact O-OG1 2.72Å |
| 173 | E | 73.3 | Confident | 67.8 | Low | 122 Ų | 122 | 96 Ų | 96 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70 | -40.9 | 176.7 | -165.9 | 180 | 158.2 | 0 | 0 | 111.3 | M169 A171 L175 T176 R177 | M169-E173 VanDerWaalsContact O-CB 3.25Å; M169-E173 WeakPolarHBondContact O-CB 3.49Å; M169-E173 PolarHBondContact O-N 2.93Å; A171-E173 VanDerWaalsContact C-N 3.33Å; A171-E173 PolarHBondContact O-N 3.44Å; E173-L175 PolarHBondContact O-N 2.93Å; E173-T176 PolarHBondContact O-N 3.38Å; E173-R177 WeakPolarHBondContact O-CB 3.14Å; E173-R177 PolarHBondContact O-N 2.77Å |
| 174 | N | 71.8 | Confident | 66.7 | Low | 84 Ų | 84 | 97.3 Ų | 97.3 | 45% | 0.449 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.5 | -39.6 | 172.2 | -83.5 | -61.8 | 0 | 0 | 0 | 112.1 | S170 A171 T176 R177 E178 | S170-N174 WeakPolarHBondContact O-CB 3.25Å; S170-N174 PolarHBondContact O-N 3.43Å; S170-N174 PolarHBondContact O-ND2 2.82Å; A171-N174 PolarHBondContact O-N 3.24Å; N174-T176 VanDerWaalsContact C-N 3.32Å; N174-T176 PolarHBondContact O-N 3.43Å; N174-R177 PolarHBondContact O-N 2.78Å; N174-E178 VanDerWaalsContact O-CB 3.27Å; N174-E178 WeakPolarHBondContact O-CB 3.38Å; N174-E178 WeakPolarHBondContact O-CG 3.27Å; N174-E178 PolarHBondContact O-N 3.33Å |
| 175 | L | 68.8 | Low | 65.8 | Low | 129 Ų | 129 | 98.1 Ų | 98.1 | 68% | 0.675 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.4 | -34.2 | 174.5 | -69.6 | 169.3 | 0 | 0 | 0 | 112.7 | A171 A172 E173 | A171-L175 WeakPolarHBondContact O-CB 3.33Å; A171-L175 VanDerWaalsContact O-CG 3.24Å; A171-L175 WeakPolarHBondContact O-CG 3.37Å; A171-L175 PolarHBondContact O-N 3.49Å; A172-L175 PolarHBondContact O-N 2.92Å; E173-L175 PolarHBondContact O-N 2.93Å |
| 176 | T | 66.8 | Low | 64.8 | Low | 115 Ų | 115 | 98.4 Ų | 98.4 | 71% | 0.706 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -74.1 | -35.2 | 175.8 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | A172 E173 N174 | A172-T176 WeakPolarHBondContact O-CB 3.24Å; A172-T176 PolarHBondContact O-N 2.82Å; A172-T176 PolarHBondContact O-OG1 2.72Å; E173-T176 PolarHBondContact O-N 3.38Å; N174-T176 VanDerWaalsContact C-N 3.32Å; N174-T176 PolarHBondContact O-N 3.43Å |
| 177 | R | 61.1 | Low | 63.6 | Low | 199 Ų | 199 | 102.8 Ų | 102.8 | 75% | 0.751 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -82.5 | -31.3 | -178.5 | -157.2 | -179.5 | 84.6 | 112.9 | 6.3 | 113.1 | E173 N174 G179 | E173-R177 WeakPolarHBondContact O-CB 3.14Å; E173-R177 PolarHBondContact O-N 2.77Å; N174-R177 PolarHBondContact O-N 2.78Å; R177-G179 PolarHBondContact O-N 3.47Å |
| 178 | E | 59.2 | Low | 62.5 | Low | 155 Ų | 155 | 99.5 Ų | 99.5 | 72% | 0.724 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -4.7 | 170.7 | -73.6 | -155.3 | 138.9 | 0 | 0 | 113.1 | N174 N180 | N174-E178 VanDerWaalsContact O-CB 3.27Å; N174-E178 WeakPolarHBondContact O-CB 3.38Å; N174-E178 WeakPolarHBondContact O-CG 3.27Å; N174-E178 PolarHBondContact O-N 3.33Å; E178-N180 VanDerWaalsContact C-N 3.32Å; E178-N180 PolarHBondContact O-N 3.43Å; E178-N180 VanDerWaalsContact O-N 3.09Å |
| 179 | G | 52.4 | Low | 61.6 | Low | 53 Ų | 53 | 102 Ų | 102 | 55% | 0.546 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 47.1 | 51.1 | 162 | 0 | 0 | 0 | 0 | 0 | 114 | R177 P181 | R177-G179 PolarHBondContact O-N 3.47Å; G179-P181 WeakPolarHBondContact O-CD 3.4Å |
| 180 | N | 48 | Very low | 61 | Low | 114 Ų | 114 | 101 Ų | 101 | 61% | 0.61 | 57% | 0.574 | S | S | * | * | trans | -114.9 | 79.5 | 166.1 | -167.1 | 46.7 | 0 | 0 | 0 | 110 | E178 A182 | E178-N180 VanDerWaalsContact C-N 3.32Å; E178-N180 PolarHBondContact O-N 3.43Å; E178-N180 VanDerWaalsContact O-N 3.09Å; N180-A182 PolarHBondContact O-N 3.09Å | ||
| 181 | P | 57.4 | Low | 60.3 | Low | 108 Ų | 108 | 104.7 Ų | 104.7 | 70% | 0.701 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -60.2 | 124.7 | 135.4 | 30.5 | -25.9 | 0 | 0 | 0 | 105 | G179 | G179-P181 WeakPolarHBondContact O-CD 3.4Š|
| 182 | A | 46.8 | Very low | 59.8 | Low | 79 Ų | 79 | 109 Ų | 109 | 65% | 0.653 | 59% | 0.593 | S | S | * | * | trans | -43.1 | 135.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | N180 V184 | N180-A182 PolarHBondContact O-N 3.09Å; A182-V184 PolarHBondContact O-N 3.32Å | ||
| 183 | P | 49.3 | Very low | 59.2 | Low | 58 Ų | 58 | 112.9 Ų | 112.9 | 38% | 0.377 | 60% | 0.602 | S | S | . | * | trans | -61 | 131.2 | -162.4 | -19.6 | 30.5 | 0 | 0 | 0 | 110.7 | E185 T186 | P183-E185 HydrophobicContact CB-CB 4.28Å; P183-E185 PolarHBondContact O-N 3.45Å; P183-E185 VanDerWaalsContact O-N 3.07Å; P183-T186 WeakPolarHBondContact O-CB 3.5Å; P183-T186 PolarHBondContact O-N 3.07Å | ||
| 184 | V | 56.1 | Low | 58.8 | Low | 119 Ų | 119 | 109.8 Ų | 109.8 | 72% | 0.721 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -55.8 | -24.2 | 170.7 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | A182 T186 Q187 S188 | A182-V184 PolarHBondContact O-N 3.32Å; V184-T186 VanDerWaalsContact C-N 3.35Å; V184-T186 PolarHBondContact O-N 2.89Å; V184-Q187 PolarHBondContact O-N 3.31Å; V184-S188 PolarHBondContact O-N 2.95Å; V184-S188 PolarHBondContact O-OG 3.28Å |
| 185 | E | 54.2 | Low | 58.1 | Low | 146 Ų | 146 | 111.9 Ų | 111.9 | 68% | 0.682 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.8 | -37.4 | 170.7 | -84 | -176 | 124.6 | 0 | 0 | 113.7 | P183 S188 L189 | P183-E185 HydrophobicContact CB-CB 4.28Å; P183-E185 PolarHBondContact O-N 3.45Å; P183-E185 VanDerWaalsContact O-N 3.07Å; E185-S188 VanDerWaalsContact CA-OG 3.29Å; E185-S188 WeakPolarHBondContact CA-OG 3.05Å; E185-S188 PolarHBondContact O-N 2.97Å; E185-S188 PolarHBondContact O-OG 2.93Å; E185-L189 WeakPolarHBondContact O-CB 3.19Å; E185-L189 WeakPolarHBondContact O-CG 3.4Å; E185-L189 PolarHBondContact O-N 3.39Å |
| 186 | T | 56.5 | Low | 57.7 | Low | 73 Ų | 73 | 110.5 Ų | 110.5 | 45% | 0.448 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -71.1 | -34.3 | 178.6 | -47.4 | 0 | 0 | 0 | 0 | 111 | P183 V184 L190 | P183-T186 WeakPolarHBondContact O-CB 3.5Å; P183-T186 PolarHBondContact O-N 3.07Å; V184-T186 VanDerWaalsContact C-N 3.35Å; V184-T186 PolarHBondContact O-N 2.89Å; T186-L190 HydrophobicContact CG2-CD1 4.49Å; T186-L190 VanDerWaalsContact O-CG 3.23Å; T186-L190 WeakPolarHBondContact O-CG 3.29Å; T186-L190 PolarHBondContact O-N 3.09Å |
| 187 | Q | 55.8 | Low | 57.2 | Low | 125 Ų | 125 | 110 Ų | 110 | 58% | 0.584 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.1 | -45 | 171.5 | -82.5 | -164.9 | -26.3 | 0 | 0 | 111.5 | V184 L189 L190 F191 | V184-Q187 PolarHBondContact O-N 3.31Å; Q187-L189 VanDerWaalsContact C-N 3.29Å; Q187-L189 PolarHBondContact O-N 3.22Å; Q187-L190 PolarHBondContact O-N 2.95Å; Q187-F191 HydrophobicContact CB-CD2 4.24Å; Q187-F191 HydrophobicContact CB-CE2 4.22Å; Q187-F191 WeakPolarHBondContact O-CD2 3.25Å; Q187-F191 PolarHBondContact O-N 3.19Å |
| 188 | S | 56.6 | Low | 56.9 | Low | 59 Ų | 59 | 104.2 Ų | 104.2 | 41% | 0.413 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.9 | -34.9 | 179 | 54.3 | 0 | 0 | 0 | 0 | 113 | V184 E185 Q192 | V184-S188 PolarHBondContact O-N 2.95Å; V184-S188 PolarHBondContact O-OG 3.28Å; E185-S188 VanDerWaalsContact CA-OG 3.29Å; E185-S188 WeakPolarHBondContact CA-OG 3.05Å; E185-S188 PolarHBondContact O-N 2.97Å; E185-S188 PolarHBondContact O-OG 2.93Å; S188-Q192 VanDerWaalsContact O-CB 3.24Å; S188-Q192 WeakPolarHBondContact O-CB 3.23Å; S188-Q192 PolarHBondContact O-N 3.34Å |
| 189 | L | 58.5 | Low | 56.1 | Low | 112 Ų | 112 | 101.1 Ų | 101.1 | 59% | 0.586 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.4 | -38.7 | 176.4 | -70.9 | 170.4 | 0 | 0 | 0 | 112.1 | E185 Q187 Q192 E193 | E185-L189 WeakPolarHBondContact O-CB 3.19Å; E185-L189 WeakPolarHBondContact O-CG 3.4Å; E185-L189 PolarHBondContact O-N 3.39Å; Q187-L189 VanDerWaalsContact C-N 3.29Å; Q187-L189 PolarHBondContact O-N 3.22Å; L189-Q192 PolarHBondContact O-N 2.91Å; L189-E193 WeakPolarHBondContact O-CB 3.24Å; L189-E193 PolarHBondContact O-N 2.89Å |
| 190 | L | 62.6 | Low | 55.9 | Low | 106 Ų | 106 | 108.5 Ų | 108.5 | 56% | 0.555 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.3 | -36 | 175.5 | -68 | 176.4 | 0 | 0 | 0 | 112.7 | T186 Q187 Q192 A194 | T186-L190 HydrophobicContact CG2-CD1 4.49Å; T186-L190 VanDerWaalsContact O-CG 3.23Å; T186-L190 WeakPolarHBondContact O-CG 3.29Å; T186-L190 PolarHBondContact O-N 3.09Å; Q187-L190 PolarHBondContact O-N 2.95Å; L190-Q192 VanDerWaalsContact C-N 3.33Å; L190-A194 VanDerWaalsContact O-CB 3.25Å; L190-A194 WeakPolarHBondContact O-CB 3.5Å; L190-A194 PolarHBondContact O-N 3.39Å; L190-A194 VanDerWaalsContact O-N 3.09Å |
| 191 | F | 61.7 | Low | 56.3 | Low | 139 Ų | 139 | 108.2 Ų | 108.2 | 61% | 0.61 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.4 | -29.6 | 173.5 | -79.1 | -68.7 | 0 | 0 | 0 | 112.4 | Q187 N195 | Q187-F191 HydrophobicContact CB-CD2 4.24Å; Q187-F191 HydrophobicContact CB-CE2 4.22Å; Q187-F191 WeakPolarHBondContact O-CD2 3.25Å; Q187-F191 PolarHBondContact O-N 3.19Å; F191-N195 PolarHBondContact O-N 3.43Å |
| 192 | Q | 65 | Low | 56.2 | Low | 142 Ų | 142 | 108.2 Ų | 108.2 | 66% | 0.664 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78.2 | -45.3 | 176.8 | -164.9 | 140.5 | -23.9 | 0 | 0 | 111.5 | S188 L189 L190 A194 N195 T196 | S188-Q192 VanDerWaalsContact O-CB 3.24Å; S188-Q192 WeakPolarHBondContact O-CB 3.23Å; S188-Q192 PolarHBondContact O-N 3.34Å; L189-Q192 PolarHBondContact O-N 2.91Å; L190-Q192 VanDerWaalsContact C-N 3.33Å; Q192-A194 VanDerWaalsContact C-N 3.34Å; Q192-A194 PolarHBondContact O-N 3.25Å; Q192-N195 PolarHBondContact O-N 2.76Å; Q192-T196 PolarHBondContact O-N 3.38Å; Q192-T196 VanDerWaalsContact O-N 3.14Å; Q192-T196 PolarHBondContact O-OG1 3.26Å |
| 193 | E | 62.3 | Low | 56.8 | Low | 134 Ų | 134 | 109.8 Ų | 109.8 | 63% | 0.626 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -58.2 | -44 | 173.4 | -89.2 | -169.9 | 103.7 | 0 | 0 | 111.9 | L189 N195 T196 S197 | L189-E193 WeakPolarHBondContact O-CB 3.24Å; L189-E193 PolarHBondContact O-N 2.89Å; E193-N195 VanDerWaalsContact C-N 3.3Å; E193-N195 PolarHBondContact O-N 3.3Å; E193-T196 PolarHBondContact O-N 3.4Å; E193-T196 PolarHBondContact O-OG1 3.08Å; E193-S197 PolarHBondContact O-N 3.42Å; E193-S197 VanDerWaalsContact O-N 3.08Å; E193-S197 PolarHBondContact O-OG 3.14Å |
| 194 | A | 64.4 | Low | 57.2 | Low | 56 Ų | 56 | 112.9 Ų | 112.9 | 46% | 0.463 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.7 | -30.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L190 Q192 S197 S198 | L190-A194 VanDerWaalsContact O-CB 3.25Å; L190-A194 WeakPolarHBondContact O-CB 3.5Å; L190-A194 PolarHBondContact O-N 3.39Å; L190-A194 VanDerWaalsContact O-N 3.09Å; Q192-A194 VanDerWaalsContact C-N 3.34Å; Q192-A194 PolarHBondContact O-N 3.25Å; A194-S197 PolarHBondContact O-OG 3.27Å; A194-S198 PolarHBondContact O-OG 3.33Å |
| 195 | N | 56.1 | Low | 57.3 | Low | 128 Ų | 128 | 112.5 Ų | 112.5 | 68% | 0.684 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -83.1 | -27.2 | 177.7 | -102.9 | -6.5 | 0 | 0 | 0 | 113.3 | F191 Q192 E193 S198 | F191-N195 PolarHBondContact O-N 3.43Å; Q192-N195 PolarHBondContact O-N 2.76Å; E193-N195 VanDerWaalsContact C-N 3.3Å; E193-N195 PolarHBondContact O-N 3.3Å; N195-S198 PolarHBondContact O-OG 3.18Å |
| 196 | T | 60.2 | Low | 57.5 | Low | 101 Ų | 101 | 110.3 Ų | 110.3 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -80.2 | -26 | 174.2 | 12.9 | 0 | 0 | 0 | 0 | 113.5 | Q192 E193 S198 | Q192-T196 PolarHBondContact O-N 3.38Å; Q192-T196 VanDerWaalsContact O-N 3.14Å; Q192-T196 PolarHBondContact O-OG1 3.26Å; E193-T196 PolarHBondContact O-N 3.4Å; E193-T196 PolarHBondContact O-OG1 3.08Å; T196-S198 VanDerWaalsContact C-N 3.32Å |
| 197 | S | 56.2 | Low | 57.5 | Low | 103 Ų | 103 | 112.9 Ų | 112.9 | 72% | 0.72 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -8.5 | 178 | 61.8 | 0 | 0 | 0 | 0 | 114.4 | E193 A194 | E193-S197 PolarHBondContact O-N 3.42Å; E193-S197 VanDerWaalsContact O-N 3.08Å; E193-S197 PolarHBondContact O-OG 3.14Å; A194-S197 PolarHBondContact O-OG 3.27Å |
| 198 | S | 54.6 | Low | 57.7 | Low | 79 Ų | 79 | 112 Ų | 112 | 55% | 0.552 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 16.9 | 178.3 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | A194 N195 T196 | A194-S198 PolarHBondContact O-OG 3.33Å; N195-S198 PolarHBondContact O-OG 3.18Å; T196-S198 VanDerWaalsContact C-N 3.32Å |
| 199 | S | 42.7 | Very low | 57.8 | Low | 90 Ų | 90 | 116.4 Ų | 116.4 | 63% | 0.629 | 67% | 0.671 | S | S | * | * | trans | -143.8 | 131.5 | 170.9 | -61.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 200 | P | 49 | Very low | 57.7 | Low | 207 Ų | 207 | 116.8 Ų | 116.8 | 100% | 1.344 | 68% | 0.679 | S | S | * | * | cis | -103.4 | 0 | 6.6 | 26.4 | -9.3 | 0 | 0 | 0 | 115.2 |
Retrieved 200 of 200 residues in 112.6 ms
(Link to these results)