| 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 | 32 | Very low | 41.6 | Very low | 250 Ų | 250 | 122.6 Ų | 122.6 | 100% | 1.232 | 72% | 0.72 | S | S | * | * | 0 | 102.4 | 0 | -73.7 | 163.3 | 175.1 | 0 | 0 | 108.5 | |||||
| 2 | A | 39.6 | Very low | 41.9 | Very low | 102 Ų | 102 | 120.7 Ų | 120.7 | 84% | 0.843 | 70% | 0.704 | S | S | * | * | trans | -158.6 | 54.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | G4 | A2-G4 VanDerWaalsContact C-N 3.32Š| ||
| 3 | A | 42 | Very low | 42.6 | Very low | 105 Ų | 105 | 121.1 Ų | 121.1 | 87% | 0.868 | 69% | 0.693 | S | S | * | * | trans | -87.5 | 2.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 4 | G | 39 | Very low | 42.3 | Very low | 65 Ų | 65 | 118.9 Ų | 118.9 | 67% | 0.67 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -85 | -17.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | A2 | A2-G4 VanDerWaalsContact C-N 3.32Š|
| 5 | G | 39.7 | Very low | 42.6 | Very low | 44 Ų | 44 | 122.1 Ų | 122.1 | 45% | 0.454 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -82 | -35.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G7 L9 | G5-G7 PolarHBondContact O-N 3.46Å; G5-L9 PolarHBondContact O-N 3.47Å |
| 6 | Y | 45 | Very low | 42.9 | Very low | 201 Ų | 201 | 122.2 Ų | 122.2 | 79% | 0.788 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -73.1 | -29.8 | -170.9 | -103.8 | -86.7 | 0 | 0 | 0 | 114 | K10 | Y6-K10 PolarHBondContact O-N 3.49Å |
| 7 | G | 38.1 | Very low | 42.9 | Very low | 42 Ų | 42 | 116.8 Ų | 116.8 | 43% | 0.433 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -70.4 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G5 L9 K10 I11 | G5-G7 PolarHBondContact O-N 3.46Å; G7-L9 PolarHBondContact O-N 3.46Å; G7-K10 PolarHBondContact O-N 3.33Å; G7-I11 WeakPolarHBondContact O-CG1 3.33Å; G7-I11 PolarHBondContact O-N 3.45Å |
| 8 | M | 40.2 | Very low | 43 | Very low | 147 Ų | 147 | 116.8 Ų | 116.8 | 72% | 0.724 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.8 | -38.2 | -177 | -159.3 | 164.7 | 81 | 0 | 0 | 112 | K10 I11 N12 | M8-K10 PolarHBondContact O-N 3.22Å; M8-I11 PolarHBondContact O-N 3.27Å; M8-N12 PolarHBondContact O-N 3.02Å |
| 9 | L | 46.7 | Very low | 43.2 | Very low | 124 Ų | 124 | 112.8 Ų | 112.8 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.8 | -39.2 | 174 | -83 | 161.1 | 0 | 0 | 0 | 112.8 | G5 G7 F13 | G5-L9 PolarHBondContact O-N 3.47Å; G7-L9 PolarHBondContact O-N 3.46Å; L9-F13 WeakPolarHBondContact O-CB 3.48Å; L9-F13 PolarHBondContact O-N 3.17Å |
| 10 | K | 45.3 | Very low | 43.7 | Very low | 150 Ų | 150 | 111.9 Ų | 111.9 | 65% | 0.652 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.6 | -40.8 | 177 | -84.7 | -176.6 | 175 | 178.4 | 0 | 112.3 | Y6 G7 M8 L14 | Y6-K10 PolarHBondContact O-N 3.49Å; G7-K10 PolarHBondContact O-N 3.33Å; M8-K10 PolarHBondContact O-N 3.22Å; K10-L14 WeakPolarHBondContact O-CB 3.46Å; K10-L14 WeakPolarHBondContact O-CG 3.44Å; K10-L14 PolarHBondContact O-N 3.01Å |
| 11 | I | 49.6 | Very low | 44 | Very low | 119 Ų | 119 | 110 Ų | 110 | 61% | 0.61 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.2 | -45.2 | 179.6 | -63.8 | 166.8 | 0 | 0 | 0 | 110 | G7 M8 F13 L14 Y15 | G7-I11 WeakPolarHBondContact O-CG1 3.33Å; G7-I11 PolarHBondContact O-N 3.45Å; M8-I11 PolarHBondContact O-N 3.27Å; I11-F13 PolarHBondContact O-N 3.3Å; I11-L14 PolarHBondContact O-N 3.45Å; I11-Y15 WeakPolarHBondContact O-CB 3.34Å; I11-Y15 PolarHBondContact O-N 3.1Å |
| 12 | N | 45.9 | Very low | 45 | Very low | 99 Ų | 99 | 103.1 Ų | 103.1 | 53% | 0.529 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.6 | -42.1 | 179.4 | -128.8 | 31 | 0 | 0 | 0 | 111.7 | M8 L14 Y15 E16 | M8-N12 PolarHBondContact O-N 3.02Å; N12-L14 PolarHBondContact O-N 3.5Å; N12-Y15 PolarHBondContact O-N 3.03Å; N12-E16 PolarHBondContact O-N 3.09Å |
| 13 | F | 50.2 | Low | 45.6 | Very low | 126 Ų | 126 | 106.2 Ų | 106.2 | 55% | 0.553 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.9 | -40.3 | 176.4 | -173.9 | -98.2 | 0 | 0 | 0 | 112.6 | L9 I11 C17 I80 | L9-F13 WeakPolarHBondContact O-CB 3.48Å; L9-F13 PolarHBondContact O-N 3.17Å; I11-F13 PolarHBondContact O-N 3.3Å; F13-C17 VanDerWaalsContact O-CB 3.25Å; F13-C17 WeakPolarHBondContact O-CB 3.27Å; F13-C17 PolarHBondContact O-N 3.38Å; F13-I80 HydrophobicContact CE1-CD1 4.08Å; F13-I80 HydrophobicContact CZ-CD1 4.25Å |
| 14 | L | 39.4 | Very low | 46.4 | Very low | 91 Ų | 91 | 105.9 Ų | 105.9 | 48% | 0.476 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 173.2 | -84.2 | 162 | 0 | 0 | 0 | 110.9 | K10 I11 N12 C17 F18 | K10-L14 WeakPolarHBondContact O-CB 3.46Å; K10-L14 WeakPolarHBondContact O-CG 3.44Å; K10-L14 PolarHBondContact O-N 3.01Å; I11-L14 PolarHBondContact O-N 3.45Å; N12-L14 PolarHBondContact O-N 3.5Å; L14-C17 PolarHBondContact O-N 3.02Å; L14-F18 HydrophobicContact CD2-CE2 4.19Å; L14-F18 WeakPolarHBondContact O-CB 3.36Å; L14-F18 VanDerWaalsContact O-CD2 3.24Å; L14-F18 WeakPolarHBondContact O-CD2 3.39Å; L14-F18 PolarHBondContact O-N 3.13Å |
| 15 | Y | 46.1 | Very low | 47 | Very low | 167 Ų | 167 | 105.2 Ų | 105.2 | 66% | 0.655 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.3 | -47.4 | -179.8 | -170.6 | -93.5 | 0 | 0 | 0 | 111.9 | I11 N12 C17 F18 A19 | I11-Y15 WeakPolarHBondContact O-CB 3.34Å; I11-Y15 PolarHBondContact O-N 3.1Å; N12-Y15 PolarHBondContact O-N 3.03Å; Y15-C17 VanDerWaalsContact C-N 3.34Å; Y15-C17 PolarHBondContact O-N 3.44Å; Y15-F18 PolarHBondContact O-N 3.3Å; Y15-A19 VanDerWaalsContact O-CB 3.25Å; Y15-A19 WeakPolarHBondContact O-CB 3.24Å; Y15-A19 PolarHBondContact O-N 2.89Å |
| 16 | E | 47.9 | Very low | 47.5 | Very low | 123 Ų | 123 | 108.2 Ų | 108.2 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.1 | -42.4 | 175.9 | -76.6 | -174.9 | 168.2 | 0 | 0 | 111.8 | N12 A19 N20 | N12-E16 PolarHBondContact O-N 3.09Å; E16-A19 PolarHBondContact O-N 2.76Å; E16-N20 WeakPolarHBondContact O-CB 3.48Å; E16-N20 PolarHBondContact O-N 2.87Å |
| 17 | C | 42.8 | Very low | 48.1 | Very low | 30 Ų | 30 | 103.6 Ų | 103.6 | 20% | 0.203 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.8 | -171 | 0 | 0 | 0 | 0 | 111.8 | F13 L14 Y15 K21 | F13-C17 VanDerWaalsContact O-CB 3.25Å; F13-C17 WeakPolarHBondContact O-CB 3.27Å; F13-C17 PolarHBondContact O-N 3.38Å; L14-C17 PolarHBondContact O-N 3.02Å; Y15-C17 VanDerWaalsContact C-N 3.34Å; Y15-C17 PolarHBondContact O-N 3.44Å; C17-K21 VanDerWaalsContact O-CB 3.31Å; C17-K21 WeakPolarHBondContact O-CB 3.25Å; C17-K21 WeakPolarHBondContact O-CG 3.47Å; C17-K21 PolarHBondContact O-N 3.32Å |
| 18 | F | 44.1 | Very low | 48.9 | Very low | 117 Ų | 117 | 105.4 Ų | 105.4 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 174.3 | -88.4 | -71.4 | 0 | 0 | 0 | 111.8 | L14 Y15 N20 K21 I22 | L14-F18 HydrophobicContact CD2-CE2 4.19Å; L14-F18 WeakPolarHBondContact O-CB 3.36Å; L14-F18 VanDerWaalsContact O-CD2 3.24Å; L14-F18 WeakPolarHBondContact O-CD2 3.39Å; L14-F18 PolarHBondContact O-N 3.13Å; Y15-F18 PolarHBondContact O-N 3.3Å; F18-N20 PolarHBondContact O-N 3.29Å; F18-K21 PolarHBondContact O-N 3.05Å; F18-I22 WeakPolarHBondContact O-CB 3.2Å; F18-I22 WeakPolarHBondContact O-CG1 3.31Å; F18-I22 PolarHBondContact O-N 3.39Å |
| 19 | A | 47.3 | Very low | 49.5 | Very low | 42 Ų | 42 | 101.5 Ų | 101.5 | 35% | 0.347 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y15 E16 K21 I22 R23 | Y15-A19 VanDerWaalsContact O-CB 3.25Å; Y15-A19 WeakPolarHBondContact O-CB 3.24Å; Y15-A19 PolarHBondContact O-N 2.89Å; E16-A19 PolarHBondContact O-N 2.76Å; A19-K21 VanDerWaalsContact C-N 3.35Å; A19-K21 PolarHBondContact O-N 3.23Å; A19-I22 PolarHBondContact O-N 3.48Å; A19-R23 WeakPolarHBondContact O-CB 3.38Å; A19-R23 PolarHBondContact O-N 2.89Å |
| 20 | N | 53.3 | Low | 49.7 | Very low | 93 Ų | 93 | 101.2 Ų | 101.2 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 179.2 | -132.8 | 9.1 | 0 | 0 | 0 | 111.6 | E16 F18 R23 I24 | E16-N20 WeakPolarHBondContact O-CB 3.48Å; E16-N20 PolarHBondContact O-N 2.87Å; F18-N20 PolarHBondContact O-N 3.29Å; N20-R23 PolarHBondContact O-N 3.26Å; N20-I24 VanDerWaalsContact O-CG1 3.3Å; N20-I24 WeakPolarHBondContact O-CG1 3.35Å; N20-I24 PolarHBondContact O-N 3.29Å |
| 21 | K | 50.2 | Low | 50.2 | Low | 72 Ų | 72 | 99.5 Ų | 99.5 | 31% | 0.313 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.9 | -42.4 | 175.4 | -77.5 | 176.4 | 178.2 | -180 | 0 | 113.2 | C17 F18 A19 R23 I24 S25 | C17-K21 VanDerWaalsContact O-CB 3.31Å; C17-K21 WeakPolarHBondContact O-CB 3.25Å; C17-K21 WeakPolarHBondContact O-CG 3.47Å; C17-K21 PolarHBondContact O-N 3.32Å; F18-K21 PolarHBondContact O-N 3.05Å; A19-K21 VanDerWaalsContact C-N 3.35Å; A19-K21 PolarHBondContact O-N 3.23Å; K21-R23 VanDerWaalsContact C-N 3.27Å; K21-I24 PolarHBondContact O-N 3.26Å; K21-S25 VanDerWaalsContact O-CB 3.31Å; K21-S25 WeakPolarHBondContact O-CB 3.1Å; K21-S25 PolarHBondContact O-N 2.88Å; K21-S25 PolarHBondContact O-OG 3.05Å |
| 22 | I | 52.6 | Low | 50.2 | Low | 106 Ų | 106 | 96.5 Ų | 96.5 | 54% | 0.544 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 174.1 | -69.8 | 164.7 | 0 | 0 | 0 | 108.9 | F18 A19 S25 L26 | F18-I22 WeakPolarHBondContact O-CB 3.2Å; F18-I22 WeakPolarHBondContact O-CG1 3.31Å; F18-I22 PolarHBondContact O-N 3.39Å; A19-I22 PolarHBondContact O-N 3.48Å; I22-S25 PolarHBondContact O-N 2.84Å; I22-L26 VanDerWaalsContact O-CB 3.23Å; I22-L26 WeakPolarHBondContact O-CB 2.95Å; I22-L26 PolarHBondContact O-N 3.41Å |
| 23 | R | 52.6 | Low | 50.5 | Low | 168 Ų | 168 | 99 Ų | 99 | 63% | 0.634 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.2 | -46.5 | 179.2 | -165 | 175.9 | 174.9 | -164.1 | -1.2 | 112.1 | A19 N20 K21 L26 I27 | A19-R23 WeakPolarHBondContact O-CB 3.38Å; A19-R23 PolarHBondContact O-N 2.89Å; N20-R23 PolarHBondContact O-N 3.26Å; K21-R23 VanDerWaalsContact C-N 3.27Å; R23-L26 PolarHBondContact O-N 3.34Å; R23-I27 HydrophobicContact CG-CD1 4.19Å; R23-I27 WeakPolarHBondContact O-CB 3.22Å; R23-I27 VanDerWaalsContact O-CG1 3.22Å; R23-I27 WeakPolarHBondContact O-CG1 3.28Å; R23-I27 PolarHBondContact O-N 3.22Å |
| 24 | I | 58 | Low | 50.6 | Low | 97 Ų | 97 | 96 Ų | 96 | 50% | 0.497 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63 | -44 | 175.2 | -65.6 | 163.3 | 0 | 0 | 0 | 110.6 | N20 K21 L26 I27 F28 | N20-I24 VanDerWaalsContact O-CG1 3.3Å; N20-I24 WeakPolarHBondContact O-CG1 3.35Å; N20-I24 PolarHBondContact O-N 3.29Å; K21-I24 PolarHBondContact O-N 3.26Å; I24-L26 VanDerWaalsContact C-N 3.3Å; I24-L26 PolarHBondContact O-N 3.47Å; I24-I27 PolarHBondContact O-N 2.79Å; I24-F28 WeakPolarHBondContact O-CB 3.19Å; I24-F28 PolarHBondContact O-N 2.93Å |
| 25 | S | 51.6 | Low | 51.4 | Low | 51 Ų | 51 | 94.7 Ų | 94.7 | 36% | 0.357 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 176.9 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | K21 I22 F28 V29 Y65 | K21-S25 VanDerWaalsContact O-CB 3.31Å; K21-S25 WeakPolarHBondContact O-CB 3.1Å; K21-S25 PolarHBondContact O-N 2.88Å; K21-S25 PolarHBondContact O-OG 3.05Å; I22-S25 PolarHBondContact O-N 2.84Å; S25-F28 PolarHBondContact O-N 2.82Å; S25-V29 VanDerWaalsContact O-CG2 3.28Å; S25-V29 WeakPolarHBondContact O-CG2 3.5Å; S25-V29 PolarHBondContact O-N 3.47Å; S25-Y65 PolarHBondContact O-OH 2.86Å |
| 26 | L | 50.7 | Low | 51.6 | Low | 108 Ų | 108 | 90.1 Ų | 90.1 | 57% | 0.565 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -68.3 | -45.4 | 178.6 | -164.6 | 104.4 | 0 | 0 | 0 | 111.1 | I22 R23 I24 F28 V29 L30 | I22-L26 VanDerWaalsContact O-CB 3.23Å; I22-L26 WeakPolarHBondContact O-CB 2.95Å; I22-L26 PolarHBondContact O-N 3.41Å; R23-L26 PolarHBondContact O-N 3.34Å; I24-L26 VanDerWaalsContact C-N 3.3Å; I24-L26 PolarHBondContact O-N 3.47Å; L26-F28 VanDerWaalsContact C-N 3.26Å; L26-F28 PolarHBondContact O-N 2.88Å; L26-V29 PolarHBondContact O-N 3.29Å; L26-L30 WeakPolarHBondContact O-CB 3.32Å; L26-L30 PolarHBondContact O-N 3.16Å |
| 27 | I | 58.2 | Low | 51.9 | Low | 103 Ų | 103 | 90.9 Ų | 90.9 | 53% | 0.528 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.4 | -44 | 174.7 | -69.4 | 163.1 | 0 | 0 | 0 | 109.9 | R23 I24 L30 H31 | R23-I27 HydrophobicContact CG-CD1 4.19Å; R23-I27 WeakPolarHBondContact O-CB 3.22Å; R23-I27 VanDerWaalsContact O-CG1 3.22Å; R23-I27 WeakPolarHBondContact O-CG1 3.28Å; R23-I27 PolarHBondContact O-N 3.22Å; I24-I27 PolarHBondContact O-N 2.79Å; I27-L30 PolarHBondContact O-N 3.31Å; I27-H31 VanDerWaalsContact O-CB 3.26Å; I27-H31 WeakPolarHBondContact O-CB 3.44Å; I27-H31 PolarHBondContact O-N 3.49Å |
| 28 | F | 53.2 | Low | 52.5 | Low | 80 Ų | 80 | 97.6 Ų | 97.6 | 35% | 0.351 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 178.7 | -164.7 | -103.1 | 0 | 0 | 0 | 112.1 | I24 S25 L26 H31 N32 Y65 F91 | I24-F28 WeakPolarHBondContact O-CB 3.19Å; I24-F28 PolarHBondContact O-N 2.93Å; S25-F28 PolarHBondContact O-N 2.82Å; L26-F28 VanDerWaalsContact C-N 3.26Å; L26-F28 PolarHBondContact O-N 2.88Å; F28-H31 PolarHBondContact O-N 3.29Å; F28-N32 WeakPolarHBondContact CD1-ND2 3.3Å; F28-N32 WeakPolarHBondContact CE1-ND2 3.31Å; F28-N32 WeakPolarHBondContact CZ-ND2 3.21Å; F28-N32 WeakPolarHBondContact O-CB 3.25Å; F28-N32 PolarHBondContact O-N 3.23Å; F28-N32 PolarHBondContact O-ND2 2.94Å; F28-Y65 HydrophobicContact CD1-CE2 4.32Å; F28-F91 HydrophobicContact CE1-CZ 4.13Å; F28-F91 AromaticContact CZ-CE1 3.99Å; F28-F91 HydrophobicContact CZ-CE1 3.99Å; F28-F91 HydrophobicContact CZ-CZ 4.03Å |
| 29 | V | 53.9 | Low | 52.6 | Low | 65 Ų | 65 | 96.1 Ų | 96.1 | 39% | 0.394 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 174 | 168.7 | 0 | 0 | 0 | 0 | 111 | S25 L26 H31 N32 Y33 Y65 | S25-V29 VanDerWaalsContact O-CG2 3.28Å; S25-V29 WeakPolarHBondContact O-CG2 3.5Å; S25-V29 PolarHBondContact O-N 3.47Å; L26-V29 PolarHBondContact O-N 3.29Å; V29-H31 VanDerWaalsContact C-N 3.33Å; V29-H31 PolarHBondContact O-N 2.84Å; V29-N32 PolarHBondContact O-N 3.14Å; V29-Y33 VanDerWaalsContact O-CB 3.31Å; V29-Y33 WeakPolarHBondContact O-CB 3.4Å; V29-Y33 PolarHBondContact O-N 2.87Å; V29-Y65 HydrophobicContact CG2-CE1 3.51Å; V29-Y65 VanDerWaalsContact CG2-OH 3.32Å; V29-Y65 WeakPolarHBondContact CG2-OH 3.22Å |
| 30 | L | 51.6 | Low | 52.8 | Low | 118 Ų | 118 | 96.8 Ų | 96.8 | 62% | 0.618 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.2 | -41.7 | 179.5 | -144.9 | 99.7 | 0 | 0 | 0 | 110.9 | L26 I27 Y33 S34 | L26-L30 WeakPolarHBondContact O-CB 3.32Å; L26-L30 PolarHBondContact O-N 3.16Å; I27-L30 PolarHBondContact O-N 3.31Å; L30-Y33 PolarHBondContact O-N 3.39Å; L30-S34 PolarHBondContact O-N 2.82Å |
| 31 | H | 55.6 | Low | 52.8 | Low | 115 Ų | 115 | 96.2 Ų | 96.2 | 53% | 0.532 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.8 | -52 | 175.9 | -170.9 | 71.4 | 0 | 0 | 0 | 110.2 | I27 F28 V29 Y33 S34 T35 | I27-H31 VanDerWaalsContact O-CB 3.26Å; I27-H31 WeakPolarHBondContact O-CB 3.44Å; I27-H31 PolarHBondContact O-N 3.49Å; F28-H31 PolarHBondContact O-N 3.29Å; V29-H31 VanDerWaalsContact C-N 3.33Å; V29-H31 PolarHBondContact O-N 2.84Å; H31-Y33 PolarHBondContact O-N 3.47Å; H31-S34 PolarHBondContact O-N 3.29Å; H31-S34 PolarHBondContact O-OG 3.05Å; H31-T35 PolarHBondContact O-N 3.1Å; H31-T35 PolarHBondContact O-OG1 2.9Å |
| 32 | N | 48.4 | Very low | 52.9 | Low | 56 Ų | 56 | 95 Ų | 95 | 30% | 0.299 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.6 | -34.3 | 175.4 | -78.7 | -68.8 | 0 | 0 | 0 | 112.7 | F28 V29 F36 | F28-N32 WeakPolarHBondContact CD1-ND2 3.3Å; F28-N32 WeakPolarHBondContact CE1-ND2 3.31Å; F28-N32 WeakPolarHBondContact CZ-ND2 3.21Å; F28-N32 WeakPolarHBondContact O-CB 3.25Å; F28-N32 PolarHBondContact O-N 3.23Å; F28-N32 PolarHBondContact O-ND2 2.94Å; V29-N32 PolarHBondContact O-N 3.14Å; N32-F36 WeakPolarHBondContact O-CB 3.37Å; N32-F36 PolarHBondContact O-N 2.87Å |
| 33 | Y | 52.4 | Low | 52.5 | Low | 152 Ų | 152 | 91.4 Ų | 91.4 | 60% | 0.596 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69.3 | -39.7 | 174.8 | -172.6 | -96.1 | 0 | 0 | 0 | 112.3 | V29 L30 H31 F36 K37 | V29-Y33 VanDerWaalsContact O-CB 3.31Å; V29-Y33 WeakPolarHBondContact O-CB 3.4Å; V29-Y33 PolarHBondContact O-N 2.87Å; L30-Y33 PolarHBondContact O-N 3.39Å; H31-Y33 PolarHBondContact O-N 3.47Å; Y33-F36 HydrophobicContact CD2-CD1 4.46Å; Y33-F36 HydrophobicContact CE2-CD1 4.39Å; Y33-F36 WeakPolarHBondContact O-CB 3.34Å; Y33-F36 PolarHBondContact O-N 3.46Å; Y33-K37 PolarHBondContact O-N 3.29Å |
| 34 | S | 53.6 | Low | 52.5 | Low | 62 Ų | 62 | 87.6 Ų | 87.6 | 43% | 0.434 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 174.6 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | L30 H31 F36 K37 Y38 | L30-S34 PolarHBondContact O-N 2.82Å; H31-S34 PolarHBondContact O-N 3.29Å; H31-S34 PolarHBondContact O-OG 3.05Å; S34-F36 VanDerWaalsContact C-N 3.32Å; S34-F36 PolarHBondContact O-N 3.03Å; S34-K37 PolarHBondContact O-N 3.47Å; S34-Y38 PolarHBondContact O-N 3.48Å |
| 35 | T | 55.1 | Low | 52.1 | Low | 64 Ų | 64 | 87.9 Ų | 87.9 | 39% | 0.393 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 172.9 | -39.3 | 0 | 0 | 0 | 0 | 109.2 | H31 K37 Y38 W39 | H31-T35 PolarHBondContact O-N 3.1Å; H31-T35 PolarHBondContact O-OG1 2.9Å; T35-K37 PolarHBondContact O-N 3.37Å; T35-Y38 PolarHBondContact O-N 3.37Å; T35-W39 VanDerWaalsContact O-CB 3.24Å; T35-W39 WeakPolarHBondContact O-CB 3.39Å; T35-W39 PolarHBondContact O-N 3.48Å |
| 36 | F | 51 | Low | 51.9 | Low | 70 Ų | 70 | 93.1 Ų | 93.1 | 31% | 0.307 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.3 | -44.4 | 174.2 | 173 | -96.3 | 0 | 0 | 0 | 112.5 | N32 Y33 S34 W39 C40 F58 | N32-F36 WeakPolarHBondContact O-CB 3.37Å; N32-F36 PolarHBondContact O-N 2.87Å; Y33-F36 HydrophobicContact CD2-CD1 4.46Å; Y33-F36 HydrophobicContact CE2-CD1 4.39Å; Y33-F36 WeakPolarHBondContact O-CB 3.34Å; Y33-F36 PolarHBondContact O-N 3.46Å; S34-F36 VanDerWaalsContact C-N 3.32Å; S34-F36 PolarHBondContact O-N 3.03Å; F36-W39 CarbonylContact O-C 3.55Å; F36-W39 WeakPolarHBondContact O-CB 3.41Å; F36-W39 PolarHBondContact O-N 2.91Å; F36-C40 VanDerWaalsContact CE1-SG 3.56Å; F36-C40 WeakPolarHBondContact CE2-SG 3.39Å; F36-C40 WeakPolarHBondContact CZ-SG 3.26Å; F36-C40 WeakPolarHBondContact O-CB 3.22Å; F36-C40 PolarHBondContact O-N 2.8Å; F36-C40 PolarHBondContact O-SG 3.36Å; F36-F58 HydrophobicContact CB-CE2 4.35Å; F36-F58 HydrophobicContact CD2-CD1 4.41Å; F36-F58 HydrophobicContact CD2-CD2 4.24Å; F36-F58 AromaticContact CD2-CE1 3.81Å; F36-F58 HydrophobicContact CD2-CE1 3.81Å; F36-F58 AromaticContact CD2-CE2 3.64Å; F36-F58 HydrophobicContact CD2-CE2 3.64Å; F36-F58 AromaticContact CD2-CZ 3.39Å; F36-F58 HydrophobicContact CD2-CZ 3.39Å; F36-F58 HydrophobicContact CE2-CD1 4.24Å; F36-F58 AromaticContact CE2-CE1 3.69Å; F36-F58 HydrophobicContact CE2-CE1 3.69Å; F36-F58 HydrophobicContact CE2-CE2 4.36Å; F36-F58 AromaticContact CE2-CZ 3.77Å; F36-F58 HydrophobicContact CE2-CZ 3.77Å; F36-F58 HydrophobicContact CG-CE2 4.34Å; F36-F58 HydrophobicContact CG-CZ 4.11Å |
| 37 | K | 53.4 | Low | 51.7 | Low | 140 Ų | 140 | 90.7 Ų | 90.7 | 61% | 0.609 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.9 | -48.4 | 177.8 | -174.4 | 179.4 | 178.6 | -178.5 | 0 | 111.1 | Y33 S34 T35 W39 C40 T41 | Y33-K37 PolarHBondContact O-N 3.29Å; S34-K37 PolarHBondContact O-N 3.47Å; T35-K37 PolarHBondContact O-N 3.37Å; K37-W39 PolarHBondContact O-N 2.84Å; K37-C40 PolarHBondContact O-N 2.86Å; K37-T41 PolarHBondContact O-N 3.3Å; K37-T41 PolarHBondContact O-OG1 3.41Å; K37-T41 VanDerWaalsContact O-OG1 3.12Å |
| 38 | Y | 55.7 | Low | 51.5 | Low | 170 Ų | 170 | 93.8 Ų | 93.8 | 67% | 0.667 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61 | -36.4 | 175.8 | -172.1 | -94.4 | 0 | 0 | 0 | 111.6 | S34 T35 T41 T42 | S34-Y38 PolarHBondContact O-N 3.48Å; T35-Y38 PolarHBondContact O-N 3.37Å; Y38-T41 VanDerWaalsContact C-OG1 3.26Å; Y38-T41 WeakPolarHBondContact CA-OG1 3.23Å; Y38-T41 PolarHBondContact O-OG1 2.76Å; Y38-T42 PolarHBondContact O-N 3.38Å; Y38-T42 PolarHBondContact O-OG1 3.43Å |
| 39 | W | 46.6 | Very low | 51.5 | Low | 87 Ų | 87 | 101.2 Ų | 101.2 | 33% | 0.33 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.6 | -52.2 | 178.1 | -133.6 | 62.1 | 0 | 0 | 0 | 111.1 | T35 F36 K37 T41 T42 F43 H54 | T35-W39 VanDerWaalsContact O-CB 3.24Å; T35-W39 WeakPolarHBondContact O-CB 3.39Å; T35-W39 PolarHBondContact O-N 3.48Å; F36-W39 CarbonylContact O-C 3.55Å; F36-W39 WeakPolarHBondContact O-CB 3.41Å; F36-W39 PolarHBondContact O-N 2.91Å; K37-W39 PolarHBondContact O-N 2.84Å; W39-T41 PolarHBondContact O-N 3.36Å; W39-T42 CarbonylContact O-C 3.47Å; W39-T42 WeakPolarHBondContact O-CA 3.28Å; W39-T42 WeakPolarHBondContact O-CB 3.45Å; W39-T42 PolarHBondContact O-N 2.92Å; W39-F43 HydrophobicContact CB-CD2 4.49Å; W39-F43 AromaticContact CD2-CD2 3.63Å; W39-F43 HydrophobicContact CD2-CD2 3.63Å; W39-F43 AromaticContact CD2-CE2 3.17Å; W39-F43 HydrophobicContact CD2-CE2 3.17Å; W39-F43 HydrophobicContact CD2-CZ 4.23Å; W39-F43 AromaticContact CE2-CE2 3.42Å; W39-F43 VanDerWaalsContact CE2-CE2 3.42Å; W39-F43 AromaticContact CE3-CD2 3.37Å; W39-F43 HydrophobicContact CE3-CD2 3.37Å; W39-F43 AromaticContact CE3-CE2 2.99Å; W39-F43 HydrophobicContact CE3-CE2 2.99Å; W39-F43 HydrophobicContact CE3-CG 4.48Å; W39-F43 AromaticContact CE3-CZ 3.81Å; W39-F43 HydrophobicContact CE3-CZ 3.81Å; W39-F43 HydrophobicContact CG-CD2 4.11Å; W39-F43 HydrophobicContact CG-CE2 4Å; W39-F43 AromaticContact CH2-CE2 3.51Å; W39-F43 HydrophobicContact CH2-CE2 3.51Å; W39-F43 AromaticContact CH2-CZ 3.6Å; W39-F43 HydrophobicContact CH2-CZ 3.6Å; W39-F43 AromaticContact CZ2-CE2 3.59Å; W39-F43 HydrophobicContact CZ2-CE2 3.59Å; W39-F43 AromaticContact CZ2-CZ 3.94Å; W39-F43 HydrophobicContact CZ2-CZ 3.94Å; W39-F43 AromaticContact CZ3-CD2 3.91Å; W39-F43 HydrophobicContact CZ3-CD2 3.91Å; W39-F43 HydrophobicContact CZ3-CE1 4.45Å; W39-F43 AromaticContact CZ3-CE2 3.17Å; W39-F43 HydrophobicContact CZ3-CE2 3.17Å; W39-F43 AromaticContact CZ3-CZ 3.47Å; W39-F43 HydrophobicContact CZ3-CZ 3.47Å; W39-F43 VanDerWaalsContact CZ3-CZ 3.47Å; W39-F43 WeakPolarHBondContact O-CB 3.43Å; W39-F43 VanDerWaalsContact O-CD2 3.25Å; W39-F43 WeakPolarHBondContact O-CD2 3.21Å; W39-F43 PolarHBondContact O-N 3.31Å; W39-H54 HydrophobicContact CH2-CB 3.31Å; W39-H54 AromaticContact CH2-CE1 3.96Å; W39-H54 AromaticContact CH2-CG 3.36Å; W39-H54 AromaticContact CH2-ND1 2.99Å; W39-H54 WeakPolarHBondContact CH2-ND1 3.16Å; W39-H54 HydrophobicContact CZ2-CB 4.28Å; W39-H54 AromaticContact CZ2-CE1 3.73Å; W39-H54 AromaticContact CZ2-CG 3.88Å; W39-H54 AromaticContact CZ2-ND1 3.2Å; W39-H54 WeakPolarHBondContact CZ2-ND1 3.49Å; W39-H54 HydrophobicContact CZ3-CB 3.66Å |
| 40 | C | 50.4 | Low | 51.4 | Low | 55 Ų | 55 | 101.2 Ų | 101.2 | 37% | 0.372 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -52.8 | -39.5 | 174.6 | -76.9 | 0 | 0 | 0 | 0 | 112.5 | F36 K37 F43 A44 | F36-C40 VanDerWaalsContact CE1-SG 3.56Å; F36-C40 WeakPolarHBondContact CE2-SG 3.39Å; F36-C40 WeakPolarHBondContact CZ-SG 3.26Å; F36-C40 WeakPolarHBondContact O-CB 3.22Å; F36-C40 PolarHBondContact O-N 2.8Å; F36-C40 PolarHBondContact O-SG 3.36Å; K37-C40 PolarHBondContact O-N 2.86Å; C40-F43 PolarHBondContact O-N 2.78Å; C40-A44 PolarHBondContact O-N 3.08Å |
| 41 | T | 54.4 | Low | 51.3 | Low | 81 Ų | 81 | 100 Ų | 100 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 174.2 | 48.5 | 0 | 0 | 0 | 0 | 112.6 | K37 Y38 W39 | K37-T41 PolarHBondContact O-N 3.3Å; K37-T41 PolarHBondContact O-OG1 3.41Å; K37-T41 VanDerWaalsContact O-OG1 3.12Å; Y38-T41 VanDerWaalsContact C-OG1 3.26Å; Y38-T41 WeakPolarHBondContact CA-OG1 3.23Å; Y38-T41 PolarHBondContact O-OG1 2.76Å; W39-T41 PolarHBondContact O-N 3.36Å |
| 42 | T | 51.1 | Low | 50.9 | Low | 47 Ų | 47 | 102.8 Ų | 102.8 | 29% | 0.288 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.5 | -37.4 | 175 | -46.8 | 0 | 0 | 0 | 0 | 111 | Y38 W39 C45 Y46 | Y38-T42 PolarHBondContact O-N 3.38Å; Y38-T42 PolarHBondContact O-OG1 3.43Å; W39-T42 CarbonylContact O-C 3.47Å; W39-T42 WeakPolarHBondContact O-CA 3.28Å; W39-T42 WeakPolarHBondContact O-CB 3.45Å; W39-T42 PolarHBondContact O-N 2.92Å; T42-C45 WeakPolarHBondContact O-CA 2.99Å; T42-C45 VanDerWaalsContact O-CB 3.31Å; T42-C45 WeakPolarHBondContact O-CB 3.1Å; T42-C45 PolarHBondContact O-N 3.44Å; T42-Y46 HydrophobicContact CG2-CD2 3.82Å; T42-Y46 HydrophobicContact CG2-CE2 3.84Å; T42-Y46 WeakPolarHBondContact O-CD2 3.32Å; T42-Y46 PolarHBondContact O-N 3.5Å; T42-Y46 VanDerWaalsContact O-N 3.15Å |
| 43 | F | 45.9 | Very low | 51.2 | Low | 30 Ų | 30 | 103.8 Ų | 103.8 | 13% | 0.132 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 176.7 | -95.2 | -86.9 | 0 | 0 | 0 | 113.1 | W39 C40 C45 Y46 N50 H51 H54 | W39-F43 HydrophobicContact CB-CD2 4.49Å; W39-F43 AromaticContact CD2-CD2 3.63Å; W39-F43 HydrophobicContact CD2-CD2 3.63Å; W39-F43 AromaticContact CD2-CE2 3.17Å; W39-F43 HydrophobicContact CD2-CE2 3.17Å; W39-F43 HydrophobicContact CD2-CZ 4.23Å; W39-F43 AromaticContact CE2-CE2 3.42Å; W39-F43 VanDerWaalsContact CE2-CE2 3.42Å; W39-F43 AromaticContact CE3-CD2 3.37Å; W39-F43 HydrophobicContact CE3-CD2 3.37Å; W39-F43 AromaticContact CE3-CE2 2.99Å; W39-F43 HydrophobicContact CE3-CE2 2.99Å; W39-F43 HydrophobicContact CE3-CG 4.48Å; W39-F43 AromaticContact CE3-CZ 3.81Å; W39-F43 HydrophobicContact CE3-CZ 3.81Å; W39-F43 HydrophobicContact CG-CD2 4.11Å; W39-F43 HydrophobicContact CG-CE2 4Å; W39-F43 AromaticContact CH2-CE2 3.51Å; W39-F43 HydrophobicContact CH2-CE2 3.51Å; W39-F43 AromaticContact CH2-CZ 3.6Å; W39-F43 HydrophobicContact CH2-CZ 3.6Å; W39-F43 AromaticContact CZ2-CE2 3.59Å; W39-F43 HydrophobicContact CZ2-CE2 3.59Å; W39-F43 AromaticContact CZ2-CZ 3.94Å; W39-F43 HydrophobicContact CZ2-CZ 3.94Å; W39-F43 AromaticContact CZ3-CD2 3.91Å; W39-F43 HydrophobicContact CZ3-CD2 3.91Å; W39-F43 HydrophobicContact CZ3-CE1 4.45Å; W39-F43 AromaticContact CZ3-CE2 3.17Å; W39-F43 HydrophobicContact CZ3-CE2 3.17Å; W39-F43 AromaticContact CZ3-CZ 3.47Å; W39-F43 HydrophobicContact CZ3-CZ 3.47Å; W39-F43 VanDerWaalsContact CZ3-CZ 3.47Å; W39-F43 WeakPolarHBondContact O-CB 3.43Å; W39-F43 VanDerWaalsContact O-CD2 3.25Å; W39-F43 WeakPolarHBondContact O-CD2 3.21Å; W39-F43 PolarHBondContact O-N 3.31Å; C40-F43 PolarHBondContact O-N 2.78Å; F43-C45 PolarHBondContact O-N 3.24Å; F43-C45 VanDerWaalsContact O-N 3.11Å; F43-Y46 PolarHBondContact O-N 3.1Å; F43-N50 HydrophobicContact CE1-CB 4.43Å; F43-H51 AromaticContact CD1-CD2 3.58Å; F43-H54 HydrophobicContact CE1-CB 3.63Å; F43-H54 HydrophobicContact CE2-CB 4.29Å; F43-H54 HydrophobicContact CZ-CB 3.25Å; F43-H54 AromaticContact CZ-CD2 3.65Å; F43-H54 AromaticContact CZ-CG 3.43Å; F43-H54 VanDerWaalsContact CZ-CG 3.43Å |
| 44 | A | 51.2 | Low | 51.2 | Low | 88 Ų | 88 | 97.9 Ų | 97.9 | 73% | 0.727 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C40 | C40-A44 PolarHBondContact O-N 3.08Š|
| 45 | C | 50.1 | Low | 51.1 | Low | 104 Ų | 104 | 102.8 Ų | 102.8 | 70% | 0.703 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -28.7 | 178.6 | -61.9 | 0 | 0 | 0 | 0 | 114.3 | T42 F43 | T42-C45 WeakPolarHBondContact O-CA 2.99Å; T42-C45 VanDerWaalsContact O-CB 3.31Å; T42-C45 WeakPolarHBondContact O-CB 3.1Å; T42-C45 PolarHBondContact O-N 3.44Å; F43-C45 PolarHBondContact O-N 3.24Å; F43-C45 VanDerWaalsContact O-N 3.11Å |
| 46 | Y | 47.1 | Very low | 51 | Low | 160 Ų | 160 | 105.4 Ų | 105.4 | 63% | 0.627 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -107.8 | 98.9 | -177.1 | -71.9 | -85.1 | 0 | 0 | 0 | 110.2 | T42 F43 | T42-Y46 HydrophobicContact CG2-CD2 3.82Å; T42-Y46 HydrophobicContact CG2-CE2 3.84Å; T42-Y46 WeakPolarHBondContact O-CD2 3.32Å; T42-Y46 PolarHBondContact O-N 3.5Å; T42-Y46 VanDerWaalsContact O-N 3.15Å; F43-Y46 PolarHBondContact O-N 3.1Å |
| 47 | G | 47.9 | Very low | 51.1 | Low | 57 Ų | 57 | 103.3 Ų | 103.3 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | trans | -52 | 175.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | R49 N50 | G47-R49 VanDerWaalsContact C-N 3.28Å; G47-R49 PolarHBondContact O-N 3.07Å; G47-N50 PolarHBondContact O-N 3.35Å | ||
| 48 | E | 54 | Low | 51.1 | Low | 169 Ų | 169 | 99.4 Ų | 99.4 | 79% | 0.79 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -44.8 | -28.6 | -153.1 | -65 | 179.4 | 139.7 | 0 | 0 | 118.9 | N50 H51 | E48-N50 VanDerWaalsContact C-N 3.34Å; E48-N50 PolarHBondContact O-N 3.44Å; E48-H51 WeakPolarHBondContact O-CB 3.28Å; E48-H51 PolarHBondContact O-N 3.49Å |
| 49 | R | 51.3 | Low | 51.1 | Low | 236 Ų | 236 | 93 Ų | 93 | 89% | 0.891 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -70.6 | -27.8 | -173.2 | -71.8 | -171.5 | -179.6 | -176.5 | 0.6 | 113.7 | G47 H51 | G47-R49 VanDerWaalsContact C-N 3.28Å; G47-R49 PolarHBondContact O-N 3.07Å; R49-H51 VanDerWaalsContact C-N 3.33Å |
| 50 | N | 51.9 | Low | 51.5 | Low | 65 Ų | 65 | 90.8 Ų | 90.8 | 35% | 0.348 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -82 | -10.7 | 177.7 | -79.5 | 2.3 | 0 | 0 | 0 | 113.3 | F43 G47 E48 F52 H54 | F43-N50 HydrophobicContact CE1-CB 4.43Å; G47-N50 PolarHBondContact O-N 3.35Å; E48-N50 VanDerWaalsContact C-N 3.34Å; E48-N50 PolarHBondContact O-N 3.44Å; N50-F52 PolarHBondContact O-N 3.27Å; N50-H54 WeakPolarHBondContact O-CB 3.3Å; N50-H54 PolarHBondContact O-CD2 2.86Å |
| 51 | H | 49.5 | Very low | 51.9 | Low | 93 Ų | 93 | 90.8 Ų | 90.8 | 43% | 0.431 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | -177.3 | -83.2 | 149.4 | 0 | 0 | 0 | 113.6 | F43 E48 R49 Y55 | F43-H51 AromaticContact CD1-CD2 3.58Å; E48-H51 WeakPolarHBondContact O-CB 3.28Å; E48-H51 PolarHBondContact O-N 3.49Å; R49-H51 VanDerWaalsContact C-N 3.33Å; H51-Y55 VanDerWaalsContact O-CB 3.22Å; H51-Y55 WeakPolarHBondContact O-CB 3.47Å; H51-Y55 PolarHBondContact O-N 3.34Å |
| 52 | F | 48.8 | Very low | 52.1 | Low | 172 Ų | 172 | 91.2 Ų | 91.2 | 75% | 0.754 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -75.5 | -47.4 | -166.3 | -152.5 | -92.7 | 0 | 0 | 0 | 113 | N50 H54 H56 | N50-F52 PolarHBondContact O-N 3.27Å; F52-H54 VanDerWaalsContact C-N 3.26Å; F52-H54 PolarHBondContact O-N 2.82Å; F52-H56 WeakPolarHBondContact O-CB 3.46Å; F52-H56 PolarHBondContact O-N 3.08Å |
| 53 | I | 53.1 | Low | 52.4 | Low | 78 Ų | 78 | 96.1 Ų | 96.1 | 40% | 0.4 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | -179.6 | -69.9 | 169.2 | 0 | 0 | 0 | 110.4 | T57 M102 | I53-T57 PolarHBondContact O-N 2.94Å; I53-T57 VanDerWaalsContact O-N 3.14Å; I53-T57 PolarHBondContact O-OG1 3.43Å; I53-M102 HydrophobicContact CG2-CE 3.19Å; I53-M102 HydrophobicContact CG2-SD 3.34Å; I53-M102 WeakPolarHBondContact CG2-SD 3.31Å |
| 54 | H | 52.7 | Low | 52.8 | Low | 27 Ų | 27 | 98.6 Ų | 98.6 | 13% | 0.125 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -82.1 | -35.5 | -176.7 | -81.5 | -68.1 | 0 | 0 | 0 | 114.1 | W39 F43 N50 F52 H56 T57 F58 | W39-H54 HydrophobicContact CH2-CB 3.31Å; W39-H54 AromaticContact CH2-CE1 3.96Å; W39-H54 AromaticContact CH2-CG 3.36Å; W39-H54 AromaticContact CH2-ND1 2.99Å; W39-H54 WeakPolarHBondContact CH2-ND1 3.16Å; W39-H54 HydrophobicContact CZ2-CB 4.28Å; W39-H54 AromaticContact CZ2-CE1 3.73Å; W39-H54 AromaticContact CZ2-CG 3.88Å; W39-H54 AromaticContact CZ2-ND1 3.2Å; W39-H54 WeakPolarHBondContact CZ2-ND1 3.49Å; W39-H54 HydrophobicContact CZ3-CB 3.66Å; F43-H54 HydrophobicContact CE1-CB 3.63Å; F43-H54 HydrophobicContact CE2-CB 4.29Å; F43-H54 HydrophobicContact CZ-CB 3.25Å; F43-H54 AromaticContact CZ-CD2 3.65Å; F43-H54 AromaticContact CZ-CG 3.43Å; F43-H54 VanDerWaalsContact CZ-CG 3.43Å; N50-H54 WeakPolarHBondContact O-CB 3.3Å; N50-H54 PolarHBondContact O-CD2 2.86Å; F52-H54 VanDerWaalsContact C-N 3.26Å; F52-H54 PolarHBondContact O-N 2.82Å; H54-H56 VanDerWaalsContact C-N 3.28Å; H54-H56 PolarHBondContact O-N 3.25Å; H54-T57 VanDerWaalsContact CA-OG1 3.26Å; H54-T57 WeakPolarHBondContact CA-OG1 3.22Å; H54-T57 PolarHBondContact O-N 3.29Å; H54-T57 PolarHBondContact O-OG1 2.99Å; H54-F58 PolarHBondContact O-N 3.28Å |
| 55 | Y | 52.8 | Low | 52.9 | Low | 166 Ų | 166 | 96.5 Ų | 96.5 | 65% | 0.651 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62 | -39.1 | 168 | -179 | -98.9 | 0 | 0 | 0 | 111.4 | H51 F58 S59 | H51-Y55 VanDerWaalsContact O-CB 3.22Å; H51-Y55 WeakPolarHBondContact O-CB 3.47Å; H51-Y55 PolarHBondContact O-N 3.34Å; Y55-F58 PolarHBondContact O-N 3.27Å; Y55-S59 WeakPolarHBondContact O-CB 3.32Å; Y55-S59 PolarHBondContact O-N 2.86Å |
| 56 | H | 51.6 | Low | 53.1 | Low | 118 Ų | 118 | 94.4 Ų | 94.4 | 55% | 0.546 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 177.7 | -166.2 | -72 | 0 | 0 | 0 | 111.8 | F52 H54 F58 S59 T60 | F52-H56 WeakPolarHBondContact O-CB 3.46Å; F52-H56 PolarHBondContact O-N 3.08Å; H54-H56 VanDerWaalsContact C-N 3.28Å; H54-H56 PolarHBondContact O-N 3.25Å; H56-F58 VanDerWaalsContact C-N 3.35Å; H56-S59 PolarHBondContact O-N 2.67Å; H56-T60 PolarHBondContact O-N 2.87Å; H56-T60 PolarHBondContact O-OG1 3.38Å |
| 57 | T | 53.1 | Low | 53.2 | Low | 27 Ų | 27 | 91.3 Ų | 91.3 | 17% | 0.166 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 175.3 | 30.3 | 0 | 0 | 0 | 0 | 112.8 | I53 H54 T60 I61 M102 | I53-T57 PolarHBondContact O-N 2.94Å; I53-T57 VanDerWaalsContact O-N 3.14Å; I53-T57 PolarHBondContact O-OG1 3.43Å; H54-T57 VanDerWaalsContact CA-OG1 3.26Å; H54-T57 WeakPolarHBondContact CA-OG1 3.22Å; H54-T57 PolarHBondContact O-N 3.29Å; H54-T57 PolarHBondContact O-OG1 2.99Å; T57-T60 WeakPolarHBondContact CA-OG1 3.29Å; T57-T60 PolarHBondContact O-OG1 2.89Å; T57-I61 WeakPolarHBondContact O-CD1 3.45Å; T57-I61 VanDerWaalsContact O-CG1 3.22Å; T57-I61 WeakPolarHBondContact O-CG1 3.39Å; T57-I61 PolarHBondContact O-N 3.48Å; T57-M102 HydrophobicContact CG2-CE 3.35Å; T57-M102 HydrophobicContact CG2-CG 3.76Å; T57-M102 HydrophobicContact CG2-SD 3.74Å; T57-M102 WeakPolarHBondContact OG1-CE 3.44Å |
| 58 | F | 54.3 | Low | 53.6 | Low | 58 Ų | 58 | 90 Ų | 90 | 25% | 0.254 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 175.3 | -174.4 | -107.9 | 0 | 0 | 0 | 112.4 | F36 H54 Y55 H56 T60 I61 L62 | F36-F58 HydrophobicContact CB-CE2 4.35Å; F36-F58 HydrophobicContact CD2-CD1 4.41Å; F36-F58 HydrophobicContact CD2-CD2 4.24Å; F36-F58 AromaticContact CD2-CE1 3.81Å; F36-F58 HydrophobicContact CD2-CE1 3.81Å; F36-F58 AromaticContact CD2-CE2 3.64Å; F36-F58 HydrophobicContact CD2-CE2 3.64Å; F36-F58 AromaticContact CD2-CZ 3.39Å; F36-F58 HydrophobicContact CD2-CZ 3.39Å; F36-F58 HydrophobicContact CE2-CD1 4.24Å; F36-F58 AromaticContact CE2-CE1 3.69Å; F36-F58 HydrophobicContact CE2-CE1 3.69Å; F36-F58 HydrophobicContact CE2-CE2 4.36Å; F36-F58 AromaticContact CE2-CZ 3.77Å; F36-F58 HydrophobicContact CE2-CZ 3.77Å; F36-F58 HydrophobicContact CG-CE2 4.34Å; F36-F58 HydrophobicContact CG-CZ 4.11Å; H54-F58 PolarHBondContact O-N 3.28Å; Y55-F58 PolarHBondContact O-N 3.27Å; H56-F58 VanDerWaalsContact C-N 3.35Å; F58-T60 VanDerWaalsContact C-N 3.3Å; F58-T60 PolarHBondContact O-N 2.84Å; F58-I61 PolarHBondContact O-N 2.93Å; F58-L62 HydrophobicContact CD1-CD1 3.79Å; F58-L62 HydrophobicContact CE1-CD1 3.18Å; F58-L62 HydrophobicContact CE1-CG 4.21Å; F58-L62 HydrophobicContact CE2-CD1 4.44Å; F58-L62 HydrophobicContact CZ-CD1 3.56Å; F58-L62 HydrophobicContact CZ-CG 4.21Å; F58-L62 PolarHBondContact O-N 2.85Å |
| 59 | S | 54.4 | Low | 53.3 | Low | 34 Ų | 34 | 86.9 Ų | 86.9 | 24% | 0.238 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 176.8 | -169.1 | 0 | 0 | 0 | 0 | 111.7 | Y55 H56 K63 | Y55-S59 WeakPolarHBondContact O-CB 3.32Å; Y55-S59 PolarHBondContact O-N 2.86Å; H56-S59 PolarHBondContact O-N 2.67Å; S59-K63 WeakPolarHBondContact O-CB 3Å; S59-K63 VanDerWaalsContact O-CG 3.31Å; S59-K63 WeakPolarHBondContact O-CG 3.35Å; S59-K63 PolarHBondContact O-N 2.82Å |
| 60 | T | 56.4 | Low | 53.2 | Low | 41 Ų | 41 | 81.3 Ų | 81.3 | 25% | 0.252 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 174.3 | 42.4 | 0 | 0 | 0 | 0 | 111.8 | H56 T57 F58 L62 K63 F64 | H56-T60 PolarHBondContact O-N 2.87Å; H56-T60 PolarHBondContact O-OG1 3.38Å; T57-T60 WeakPolarHBondContact CA-OG1 3.29Å; T57-T60 PolarHBondContact O-OG1 2.89Å; F58-T60 VanDerWaalsContact C-N 3.3Å; F58-T60 PolarHBondContact O-N 2.84Å; T60-L62 PolarHBondContact O-N 3.29Å; T60-K63 PolarHBondContact O-N 3.03Å; T60-F64 WeakPolarHBondContact O-CB 3.48Å; T60-F64 VanDerWaalsContact O-CD2 3.32Å; T60-F64 WeakPolarHBondContact O-CD2 3.42Å; T60-F64 PolarHBondContact O-N 3.22Å |
| 61 | I | 58.4 | Low | 52.8 | Low | 55 Ų | 55 | 82 Ų | 82 | 28% | 0.282 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 175.8 | -67.5 | 162.9 | 0 | 0 | 0 | 111.1 | T57 F58 F64 Y65 F95 | T57-I61 WeakPolarHBondContact O-CD1 3.45Å; T57-I61 VanDerWaalsContact O-CG1 3.22Å; T57-I61 WeakPolarHBondContact O-CG1 3.39Å; T57-I61 PolarHBondContact O-N 3.48Å; F58-I61 PolarHBondContact O-N 2.93Å; I61-F64 PolarHBondContact O-N 3.45Å; I61-Y65 WeakPolarHBondContact O-CB 3.43Å; I61-Y65 PolarHBondContact O-N 3.34Å; I61-F95 HydrophobicContact CD1-CE2 4.12Å; I61-F95 HydrophobicContact CG1-CE2 4.47Å |
| 62 | L | 58.4 | Low | 52.5 | Low | 91 Ų | 91 | 81.9 Ų | 81.9 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 177.1 | -98.6 | 165.4 | 0 | 0 | 0 | 112.5 | F58 T60 F64 Y65 S66 | F58-L62 HydrophobicContact CD1-CD1 3.79Å; F58-L62 HydrophobicContact CE1-CD1 3.18Å; F58-L62 HydrophobicContact CE1-CG 4.21Å; F58-L62 HydrophobicContact CE2-CD1 4.44Å; F58-L62 HydrophobicContact CZ-CD1 3.56Å; F58-L62 HydrophobicContact CZ-CG 4.21Å; F58-L62 PolarHBondContact O-N 2.85Å; T60-L62 PolarHBondContact O-N 3.29Å; L62-F64 VanDerWaalsContact C-N 3.31Å; L62-F64 PolarHBondContact O-N 2.8Å; L62-Y65 PolarHBondContact O-N 3.24Å; L62-S66 PolarHBondContact O-N 3.33Å |
| 63 | K | 57.5 | Low | 52.3 | Low | 149 Ų | 149 | 82 Ų | 82 | 65% | 0.648 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.8 | -41.8 | 175.4 | -77.4 | 177.7 | -179.2 | 178.7 | 0 | 111.1 | S59 T60 S66 L67 | S59-K63 WeakPolarHBondContact O-CB 3Å; S59-K63 VanDerWaalsContact O-CG 3.31Å; S59-K63 WeakPolarHBondContact O-CG 3.35Å; S59-K63 PolarHBondContact O-N 2.82Å; T60-K63 PolarHBondContact O-N 3.03Å; K63-S66 WeakPolarHBondContact O-CB 3.43Å; K63-S66 PolarHBondContact O-N 3.49Å; K63-L67 WeakPolarHBondContact O-CB 3.44Å; K63-L67 PolarHBondContact O-N 2.79Å |
| 64 | F | 53.6 | Low | 51.7 | Low | 83 Ų | 83 | 84.4 Ų | 84.4 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 175.2 | -97.6 | -71.3 | 0 | 0 | 0 | 112.7 | T60 I61 L62 L67 T68 L94 | T60-F64 WeakPolarHBondContact O-CB 3.48Å; T60-F64 VanDerWaalsContact O-CD2 3.32Å; T60-F64 WeakPolarHBondContact O-CD2 3.42Å; T60-F64 PolarHBondContact O-N 3.22Å; I61-F64 PolarHBondContact O-N 3.45Å; L62-F64 VanDerWaalsContact C-N 3.31Å; L62-F64 PolarHBondContact O-N 2.8Å; F64-L67 WeakPolarHBondContact O-CB 3.31Å; F64-L67 PolarHBondContact O-N 3.22Å; F64-T68 PolarHBondContact O-N 2.91Å; F64-T68 PolarHBondContact O-OG1 2.84Å; F64-L94 HydrophobicContact CD1-CD2 3.74Å; F64-L94 HydrophobicContact CE1-CD2 3.3Å; F64-L94 HydrophobicContact CE2-CD2 4.3Å; F64-L94 HydrophobicContact CG-CD2 4.42Å; F64-L94 HydrophobicContact CZ-CD2 3.62Å |
| 65 | Y | 54.8 | Low | 51 | Low | 44 Ų | 44 | 86 Ų | 86 | 17% | 0.173 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 176.6 | -172.8 | -106 | 0 | 0 | 0 | 111.7 | S25 F28 V29 I61 L62 L67 T68 K69 | S25-Y65 PolarHBondContact O-OH 2.86Å; F28-Y65 HydrophobicContact CD1-CE2 4.32Å; V29-Y65 HydrophobicContact CG2-CE1 3.51Å; V29-Y65 VanDerWaalsContact CG2-OH 3.32Å; V29-Y65 WeakPolarHBondContact CG2-OH 3.22Å; I61-Y65 WeakPolarHBondContact O-CB 3.43Å; I61-Y65 PolarHBondContact O-N 3.34Å; L62-Y65 PolarHBondContact O-N 3.24Å; Y65-L67 VanDerWaalsContact C-N 3.33Å; Y65-L67 PolarHBondContact O-N 2.86Å; Y65-T68 VanDerWaalsContact CA-OG1 3.28Å; Y65-T68 WeakPolarHBondContact CA-OG1 3.48Å; Y65-T68 PolarHBondContact O-N 3.46Å; Y65-T68 PolarHBondContact O-OG1 3.47Å; Y65-T68 VanDerWaalsContact O-OG1 3.08Å; Y65-K69 HydrophobicContact CD1-CD 4.5Å; Y65-K69 HydrophobicContact CE1-CD 4.05Å; Y65-K69 HydrophobicContact CE1-CG 4.41Å; Y65-K69 PolarHBondContact O-N 3.3Å |
| 66 | S | 53 | Low | 50.6 | Low | 60 Ų | 60 | 82.7 Ų | 82.7 | 42% | 0.42 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 171.7 | -163.4 | 0 | 0 | 0 | 0 | 111.1 | L62 K63 T68 K69 H70 | L62-S66 PolarHBondContact O-N 3.33Å; K63-S66 WeakPolarHBondContact O-CB 3.43Å; K63-S66 PolarHBondContact O-N 3.49Å; S66-T68 PolarHBondContact O-N 3.11Å; S66-K69 WeakPolarHBondContact O-CB 3.32Å; S66-K69 PolarHBondContact O-N 3.46Å; S66-H70 PolarHBondContact O-CD2 3.49Å; S66-H70 PolarHBondContact O-N 3.34Å |
| 67 | L | 50.4 | Low | 50.2 | Low | 94 Ų | 94 | 80.4 Ų | 80.4 | 49% | 0.492 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 178.1 | -161.6 | 92.7 | 0 | 0 | 0 | 112.2 | K63 F64 Y65 K69 H70 I71 | K63-L67 WeakPolarHBondContact O-CB 3.44Å; K63-L67 PolarHBondContact O-N 2.79Å; F64-L67 WeakPolarHBondContact O-CB 3.31Å; F64-L67 PolarHBondContact O-N 3.22Å; Y65-L67 VanDerWaalsContact C-N 3.33Å; Y65-L67 PolarHBondContact O-N 2.86Å; L67-K69 VanDerWaalsContact C-N 3.33Å; L67-K69 PolarHBondContact O-N 3.31Å; L67-H70 WeakPolarHBondContact O-CB 3.47Å; L67-H70 PolarHBondContact O-N 3.49Å; L67-H70 VanDerWaalsContact O-N 3.1Å; L67-I71 HydrophobicContact CD2-CD1 3.9Å; L67-I71 HydrophobicContact CG-CD1 4.16Å; L67-I71 WeakPolarHBondContact O-CG1 3.34Å; L67-I71 PolarHBondContact O-N 3.03Å |
| 68 | T | 54.7 | Low | 49.8 | Very low | 30 Ų | 30 | 91 Ų | 91 | 18% | 0.184 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -65.6 | -35.9 | 179.6 | 32 | 0 | 0 | 0 | 0 | 111.7 | F64 Y65 S66 H70 I71 F72 | F64-T68 PolarHBondContact O-N 2.91Å; F64-T68 PolarHBondContact O-OG1 2.84Å; Y65-T68 VanDerWaalsContact CA-OG1 3.28Å; Y65-T68 WeakPolarHBondContact CA-OG1 3.48Å; Y65-T68 PolarHBondContact O-N 3.46Å; Y65-T68 PolarHBondContact O-OG1 3.47Å; Y65-T68 VanDerWaalsContact O-OG1 3.08Å; S66-T68 PolarHBondContact O-N 3.11Å; T68-H70 VanDerWaalsContact C-N 3.32Å; T68-H70 PolarHBondContact O-N 3.15Å; T68-I71 PolarHBondContact O-N 3.41Å; T68-F72 WeakPolarHBondContact O-CB 3.38Å; T68-F72 WeakPolarHBondContact O-CD2 3.47Å; T68-F72 PolarHBondContact O-N 3.34Å |
| 69 | K | 49.7 | Very low | 49.4 | Very low | 104 Ų | 104 | 92.8 Ų | 92.8 | 45% | 0.452 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -55.9 | -47.3 | 169.1 | -79.1 | -179.6 | 168.6 | 174.9 | 0 | 111.6 | Y65 S66 L67 I71 F72 F73 | Y65-K69 HydrophobicContact CD1-CD 4.5Å; Y65-K69 HydrophobicContact CE1-CD 4.05Å; Y65-K69 HydrophobicContact CE1-CG 4.41Å; Y65-K69 PolarHBondContact O-N 3.3Å; S66-K69 WeakPolarHBondContact O-CB 3.32Å; S66-K69 PolarHBondContact O-N 3.46Å; L67-K69 VanDerWaalsContact C-N 3.33Å; L67-K69 PolarHBondContact O-N 3.31Å; K69-I71 PolarHBondContact O-N 3.11Å; K69-F72 PolarHBondContact O-N 2.83Å; K69-F73 VanDerWaalsContact O-CD2 3.3Å; K69-F73 WeakPolarHBondContact O-CD2 3.24Å; K69-F73 PolarHBondContact O-N 3.45Å |
| 70 | H | 47.8 | Very low | 49.1 | Very low | 118 Ų | 118 | 94.4 Ų | 94.4 | 55% | 0.546 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 177.7 | -72.2 | -66.8 | 0 | 0 | 0 | 112.5 | S66 L67 T68 F72 F73 I74 | S66-H70 PolarHBondContact O-CD2 3.49Å; S66-H70 PolarHBondContact O-N 3.34Å; L67-H70 WeakPolarHBondContact O-CB 3.47Å; L67-H70 PolarHBondContact O-N 3.49Å; L67-H70 VanDerWaalsContact O-N 3.1Å; T68-H70 VanDerWaalsContact C-N 3.32Å; T68-H70 PolarHBondContact O-N 3.15Å; H70-F72 VanDerWaalsContact C-N 3.34Å; H70-F72 PolarHBondContact O-N 2.92Å; H70-F73 PolarHBondContact O-N 3.32Å; H70-I74 WeakPolarHBondContact O-CD1 3.49Å; H70-I74 VanDerWaalsContact O-CG1 3.29Å; H70-I74 WeakPolarHBondContact O-CG1 3.35Å; H70-I74 PolarHBondContact O-N 3.32Å; H70-I74 VanDerWaalsContact O-N 3.14Å |
| 71 | I | 44.1 | Very low | 48.5 | Very low | 81 Ų | 81 | 98.9 Ų | 98.9 | 42% | 0.415 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 177.2 | -62.9 | 167.7 | 0 | 0 | 0 | 110.9 | L67 T68 K69 F73 I74 V75 | L67-I71 HydrophobicContact CD2-CD1 3.9Å; L67-I71 HydrophobicContact CG-CD1 4.16Å; L67-I71 WeakPolarHBondContact O-CG1 3.34Å; L67-I71 PolarHBondContact O-N 3.03Å; T68-I71 PolarHBondContact O-N 3.41Å; K69-I71 PolarHBondContact O-N 3.11Å; I71-F73 VanDerWaalsContact C-N 3.34Å; I71-F73 PolarHBondContact O-N 2.87Å; I71-I74 PolarHBondContact O-N 3.21Å; I71-V75 HydrophobicContact CG2-CG2 4.37Å; I71-V75 PolarHBondContact O-N 3Å; I71-V75 VanDerWaalsContact O-N 3.1Å |
| 72 | F | 43.7 | Very low | 47.7 | Very low | 90 Ų | 90 | 98.8 Ų | 98.8 | 40% | 0.395 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -32.7 | 176.8 | -99.6 | -85.3 | 0 | 0 | 0 | 113.2 | T68 K69 H70 F83 I87 | T68-F72 WeakPolarHBondContact O-CB 3.38Å; T68-F72 WeakPolarHBondContact O-CD2 3.47Å; T68-F72 PolarHBondContact O-N 3.34Å; K69-F72 PolarHBondContact O-N 2.83Å; H70-F72 VanDerWaalsContact C-N 3.34Å; H70-F72 PolarHBondContact O-N 2.92Å; F72-F83 AromaticContact CD1-CE1 3.68Å; F72-F83 HydrophobicContact CD1-CE1 3.68Å; F72-F83 HydrophobicContact CD1-CZ 4.5Å; F72-F83 AromaticContact CE1-CD1 3.98Å; F72-F83 HydrophobicContact CE1-CD1 3.98Å; F72-F83 AromaticContact CE1-CE1 3.45Å; F72-F83 HydrophobicContact CE1-CE1 3.45Å; F72-F83 VanDerWaalsContact CE1-CE1 3.45Å; F72-F83 HydrophobicContact CG-CE1 4.47Å; F72-F83 HydrophobicContact CZ-CE1 4.08Å; F72-I87 HydrophobicContact CE1-CD1 4.13Å; F72-I87 HydrophobicContact CE2-CD1 3.94Å; F72-I87 HydrophobicContact CE2-CG2 3.71Å; F72-I87 HydrophobicContact CZ-CB 4.46Å; F72-I87 HydrophobicContact CZ-CD1 3.65Å; F72-I87 HydrophobicContact CZ-CG2 3.98Å |
| 73 | F | 43.5 | Very low | 46.9 | Very low | 173 Ų | 173 | 96.3 Ų | 96.3 | 76% | 0.759 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -71.9 | -32.5 | 173.3 | -89.4 | -74.5 | 0 | 0 | 0 | 112.5 | K69 H70 I71 | K69-F73 VanDerWaalsContact O-CD2 3.3Å; K69-F73 WeakPolarHBondContact O-CD2 3.24Å; K69-F73 PolarHBondContact O-N 3.45Å; H70-F73 PolarHBondContact O-N 3.32Å; I71-F73 VanDerWaalsContact C-N 3.34Å; I71-F73 PolarHBondContact O-N 2.87Å |
| 74 | I | 40.4 | Very low | 46.2 | Very low | 130 Ų | 130 | 94.1 Ų | 94.1 | 67% | 0.667 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -81 | -29.6 | -176.1 | -67.1 | 165.4 | 0 | 0 | 0 | 112.4 | H70 I71 P76 | H70-I74 WeakPolarHBondContact O-CD1 3.49Å; H70-I74 VanDerWaalsContact O-CG1 3.29Å; H70-I74 WeakPolarHBondContact O-CG1 3.35Å; H70-I74 PolarHBondContact O-N 3.32Å; H70-I74 VanDerWaalsContact O-N 3.14Å; I71-I74 PolarHBondContact O-N 3.21Å; I74-P76 WeakPolarHBondContact O-CD 3.21Å |
| 75 | V | 38.1 | Very low | 45.8 | Very low | 61 Ų | 61 | 92.8 Ų | 92.8 | 37% | 0.37 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -95.4 | 97.7 | -178.3 | -171.8 | 0 | 0 | 0 | 0 | 110.8 | I71 F83 | I71-V75 HydrophobicContact CG2-CG2 4.37Å; I71-V75 PolarHBondContact O-N 3Å; I71-V75 VanDerWaalsContact O-N 3.1Å; V75-F83 HydrophobicContact CB-CE2 3.76Å; V75-F83 HydrophobicContact CB-CZ 3.67Å; V75-F83 HydrophobicContact CG1-CD2 4.25Å; V75-F83 HydrophobicContact CG1-CE2 3.38Å; V75-F83 HydrophobicContact CG1-CZ 3.81Å; V75-F83 HydrophobicContact CG2-CE2 4.34Å; V75-F83 HydrophobicContact CG2-CZ 4.36Å |
| 76 | P | 44.4 | Very low | 45 | Very low | 96 Ų | 96 | 94.8 Ų | 94.8 | 62% | 0.623 | 49% | 0.488 | S | S | * | . | trans | -59.8 | 143.8 | 171.4 | 25.1 | -33.8 | 0 | 0 | 0 | 109.7 | I74 R78 | I74-P76 WeakPolarHBondContact O-CD 3.21Å; P76-R78 VanDerWaalsContact C-N 3.34Å; P76-R78 PolarHBondContact O-N 3.48Å | ||
| 77 | P | 43.9 | Very low | 44.6 | Very low | 70 Ų | 70 | 93.7 Ų | 93.7 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | trans | -68.8 | 86.6 | -171 | 29.1 | -35.4 | 0 | 0 | 0 | 110.5 | N79 I80 | P77-N79 PolarHBondContact O-N 3.21Å; P77-I80 HydrophobicContact CB-CG1 4.08Å | ||
| 78 | R | 44.3 | Very low | 44.2 | Very low | 249 Ų | 249 | 95.7 Ų | 95.7 | 94% | 0.94 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -73.9 | -17.5 | 175.4 | -117.4 | -176.4 | -178.8 | -154.3 | 0.1 | 112.9 | P76 | P76-R78 VanDerWaalsContact C-N 3.34Å; P76-R78 PolarHBondContact O-N 3.48Å |
| 79 | N | 46.4 | Very low | 43.8 | Very low | 95 Ų | 95 | 98.4 Ų | 98.4 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | trans | -166 | 106.1 | 169.1 | -158.4 | -11.8 | 0 | 0 | 0 | 109.2 | P77 N81 S82 F83 | P77-N79 PolarHBondContact O-N 3.21Å; N79-N81 PolarHBondContact O-N 3.31Å; N79-S82 PolarHBondContact O-N 2.8Å; N79-F83 WeakPolarHBondContact O-CB 2.99Å; N79-F83 PolarHBondContact O-N 2.78Å; N79-F83 VanDerWaalsContact O-N 3.09Å | ||
| 80 | I | 48.5 | Very low | 43.7 | Very low | 68 Ų | 68 | 102.5 Ų | 102.5 | 35% | 0.349 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.9 | -33.6 | -174.5 | -66 | 169.9 | 0 | 0 | 0 | 111.2 | F13 P77 N84 | F13-I80 HydrophobicContact CE1-CD1 4.08Å; F13-I80 HydrophobicContact CZ-CD1 4.25Å; P77-I80 HydrophobicContact CB-CG1 4.08Å; I80-N84 PolarHBondContact O-N 2.83Å |
| 81 | N | 44.1 | Very low | 43.6 | Very low | 135 Ų | 135 | 99.9 Ų | 99.9 | 72% | 0.722 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -74.8 | -37.9 | -176.9 | -68.8 | -3.3 | 0 | 0 | 0 | 113.2 | N79 | N79-N81 PolarHBondContact O-N 3.31Å |
| 82 | S | 41.7 | Very low | 43.7 | Very low | 54 Ų | 54 | 104 Ų | 104 | 38% | 0.378 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -81.4 | -26 | 177.7 | 83.9 | 0 | 0 | 0 | 0 | 112.8 | N79 S85 N86 | N79-S82 PolarHBondContact O-N 2.8Å; S82-S85 PolarHBondContact O-OG 3.44Å; S82-S85 VanDerWaalsContact O-OG 3.1Å; S82-N86 WeakPolarHBondContact O-CB 3.2Å; S82-N86 PolarHBondContact O-N 3.4Å; S82-N86 VanDerWaalsContact O-N 3.13Å |
| 83 | F | 40.7 | Very low | 43.9 | Very low | 38 Ų | 38 | 103.7 Ų | 103.7 | 17% | 0.167 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -71.9 | -37.6 | -179.9 | -157.6 | -111.6 | 0 | 0 | 0 | 111.6 | F72 V75 N79 I87 | F72-F83 AromaticContact CD1-CE1 3.68Å; F72-F83 HydrophobicContact CD1-CE1 3.68Å; F72-F83 HydrophobicContact CD1-CZ 4.5Å; F72-F83 AromaticContact CE1-CD1 3.98Å; F72-F83 HydrophobicContact CE1-CD1 3.98Å; F72-F83 AromaticContact CE1-CE1 3.45Å; F72-F83 HydrophobicContact CE1-CE1 3.45Å; F72-F83 VanDerWaalsContact CE1-CE1 3.45Å; F72-F83 HydrophobicContact CG-CE1 4.47Å; F72-F83 HydrophobicContact CZ-CE1 4.08Å; V75-F83 HydrophobicContact CB-CE2 3.76Å; V75-F83 HydrophobicContact CB-CZ 3.67Å; V75-F83 HydrophobicContact CG1-CD2 4.25Å; V75-F83 HydrophobicContact CG1-CE2 3.38Å; V75-F83 HydrophobicContact CG1-CZ 3.81Å; V75-F83 HydrophobicContact CG2-CE2 4.34Å; V75-F83 HydrophobicContact CG2-CZ 4.36Å; N79-F83 WeakPolarHBondContact O-CB 2.99Å; N79-F83 PolarHBondContact O-N 2.78Å; N79-F83 VanDerWaalsContact O-N 3.09Å; F83-I87 HydrophobicContact CD1-CD1 3.38Å; F83-I87 HydrophobicContact CD2-CD1 3.83Å; F83-I87 HydrophobicContact CE1-CD1 3.06Å; F83-I87 HydrophobicContact CE1-CG1 4.49Å; F83-I87 HydrophobicContact CE2-CD1 3.5Å; F83-I87 VanDerWaalsContact CE2-CD1 3.5Å; F83-I87 HydrophobicContact CE2-CG1 4.43Å; F83-I87 HydrophobicContact CG-CD1 3.77Å; F83-I87 HydrophobicContact CZ-CD1 3.12Å; F83-I87 HydrophobicContact CZ-CG1 4.4Å; F83-I87 WeakPolarHBondContact O-CG1 3.26Å; F83-I87 PolarHBondContact O-N 3.2Å |
| 84 | N | 42.8 | Very low | 43.9 | Very low | 103 Ų | 103 | 98.7 Ų | 98.7 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.4 | -45.5 | 179.3 | -155.7 | 26.8 | 0 | 0 | 0 | 111.4 | I80 F88 | I80-N84 PolarHBondContact O-N 2.83Å; N84-F88 WeakPolarHBondContact O-CB 3.33Å; N84-F88 PolarHBondContact O-N 2.96Å |
| 85 | S | 44.1 | Very low | 44.2 | Very low | 55 Ų | 55 | 96.3 Ų | 96.3 | 39% | 0.385 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.1 | -47 | 178.6 | 55.4 | 0 | 0 | 0 | 0 | 112 | S82 I87 I89 | S82-S85 PolarHBondContact O-OG 3.44Å; S82-S85 VanDerWaalsContact O-OG 3.1Å; S85-I87 VanDerWaalsContact C-N 3.34Å; S85-I87 PolarHBondContact O-N 2.92Å; S85-I89 WeakPolarHBondContact O-CB 3.38Å; S85-I89 VanDerWaalsContact O-CD1 3.27Å; S85-I89 WeakPolarHBondContact O-CD1 3.34Å; S85-I89 WeakPolarHBondContact O-CG1 3.36Å; S85-I89 PolarHBondContact O-N 3.38Å |
| 86 | N | 38.2 | Very low | 44.7 | Very low | 87 Ų | 87 | 97.2 Ų | 97.2 | 47% | 0.465 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.5 | -31.7 | -172.4 | -77.7 | -1.2 | 0 | 0 | 0 | 113.4 | S82 R90 | S82-N86 WeakPolarHBondContact O-CB 3.2Å; S82-N86 PolarHBondContact O-N 3.4Å; S82-N86 VanDerWaalsContact O-N 3.13Å; N86-R90 VanDerWaalsContact O-CG 3.28Å; N86-R90 WeakPolarHBondContact O-CG 3.37Å; N86-R90 PolarHBondContact O-N 2.97Å |
| 87 | I | 45.9 | Very low | 44.8 | Very low | 37 Ų | 37 | 98.6 Ų | 98.6 | 19% | 0.19 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -85 | -40.6 | -179.7 | -64.1 | 167.4 | 0 | 0 | 0 | 111.5 | F72 F83 S85 I89 R90 F91 | F72-I87 HydrophobicContact CE1-CD1 4.13Å; F72-I87 HydrophobicContact CE2-CD1 3.94Å; F72-I87 HydrophobicContact CE2-CG2 3.71Å; F72-I87 HydrophobicContact CZ-CB 4.46Å; F72-I87 HydrophobicContact CZ-CD1 3.65Å; F72-I87 HydrophobicContact CZ-CG2 3.98Å; F83-I87 HydrophobicContact CD1-CD1 3.38Å; F83-I87 HydrophobicContact CD2-CD1 3.83Å; F83-I87 HydrophobicContact CE1-CD1 3.06Å; F83-I87 HydrophobicContact CE1-CG1 4.49Å; F83-I87 HydrophobicContact CE2-CD1 3.5Å; F83-I87 VanDerWaalsContact CE2-CD1 3.5Å; F83-I87 HydrophobicContact CE2-CG1 4.43Å; F83-I87 HydrophobicContact CG-CD1 3.77Å; F83-I87 HydrophobicContact CZ-CD1 3.12Å; F83-I87 HydrophobicContact CZ-CG1 4.4Å; F83-I87 WeakPolarHBondContact O-CG1 3.26Å; F83-I87 PolarHBondContact O-N 3.2Å; S85-I87 VanDerWaalsContact C-N 3.34Å; S85-I87 PolarHBondContact O-N 2.92Å; I87-I89 VanDerWaalsContact C-N 3.26Å; I87-I89 PolarHBondContact O-N 3.14Å; I87-R90 PolarHBondContact O-N 3.02Å; I87-F91 WeakPolarHBondContact O-CB 3.41Å; I87-F91 PolarHBondContact O-N 3.29Å |
| 88 | F | 42.1 | Very low | 45.1 | Very low | 135 Ų | 135 | 97.6 Ų | 97.6 | 59% | 0.592 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.2 | -39.6 | 175.6 | -102.3 | -86.3 | 0 | 0 | 0 | 111.4 | N84 F91 R92 | N84-F88 WeakPolarHBondContact O-CB 3.33Å; N84-F88 PolarHBondContact O-N 2.96Å; F88-F91 PolarHBondContact O-N 3.01Å; F88-R92 VanDerWaalsContact O-CB 3.32Å; F88-R92 WeakPolarHBondContact O-CB 3.5Å; F88-R92 PolarHBondContact O-N 3.41Å |
| 89 | I | 46.4 | Very low | 45 | Very low | 88 Ų | 88 | 92 Ų | 92 | 45% | 0.451 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.4 | -51.9 | 175.8 | -67.4 | 165.4 | 0 | 0 | 0 | 109.9 | S85 I87 F91 R92 D93 | S85-I89 WeakPolarHBondContact O-CB 3.38Å; S85-I89 VanDerWaalsContact O-CD1 3.27Å; S85-I89 WeakPolarHBondContact O-CD1 3.34Å; S85-I89 WeakPolarHBondContact O-CG1 3.36Å; S85-I89 PolarHBondContact O-N 3.38Å; I87-I89 VanDerWaalsContact C-N 3.26Å; I87-I89 PolarHBondContact O-N 3.14Å; I89-F91 VanDerWaalsContact C-N 3.27Å; I89-F91 PolarHBondContact O-N 3.46Å; I89-R92 PolarHBondContact O-N 2.86Å; I89-R92 VanDerWaalsContact O-N 3.16Å; I89-D93 WeakPolarHBondContact CG2-OD2 3.27Å; I89-D93 WeakPolarHBondContact O-CB 3.31Å; I89-D93 PolarHBondContact O-N 2.89Å |
| 90 | R | 47.4 | Very low | 44.8 | Very low | 189 Ų | 189 | 92.5 Ų | 92.5 | 71% | 0.713 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -59.2 | -37.6 | 177.6 | -73.5 | 179.5 | -170.6 | -161.1 | 2.8 | 112.9 | N86 I87 L94 | N86-R90 VanDerWaalsContact O-CG 3.28Å; N86-R90 WeakPolarHBondContact O-CG 3.37Å; N86-R90 PolarHBondContact O-N 2.97Å; I87-R90 PolarHBondContact O-N 3.02Å; R90-L94 WeakPolarHBondContact O-CB 3.34Å; R90-L94 PolarHBondContact O-N 2.7Å |
| 91 | F | 46.2 | Very low | 44.5 | Very low | 63 Ų | 63 | 92.4 Ų | 92.4 | 28% | 0.276 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.7 | -45.8 | 177.5 | -172.9 | -93.4 | 0 | 0 | 0 | 111.2 | F28 I87 F88 I89 L94 F95 | F28-F91 HydrophobicContact CE1-CZ 4.13Å; F28-F91 AromaticContact CZ-CE1 3.99Å; F28-F91 HydrophobicContact CZ-CE1 3.99Å; F28-F91 HydrophobicContact CZ-CZ 4.03Å; I87-F91 WeakPolarHBondContact O-CB 3.41Å; I87-F91 PolarHBondContact O-N 3.29Å; F88-F91 PolarHBondContact O-N 3.01Å; I89-F91 VanDerWaalsContact C-N 3.27Å; I89-F91 PolarHBondContact O-N 3.46Å; F91-L94 PolarHBondContact O-N 3.25Å; F91-F95 HydrophobicContact CE1-CD2 4.48Å; F91-F95 WeakPolarHBondContact O-CB 3.36Å; F91-F95 PolarHBondContact O-N 3Å |
| 92 | R | 45.8 | Very low | 44.2 | Very low | 167 Ų | 167 | 87.4 Ų | 87.4 | 63% | 0.63 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.4 | -46.9 | 177.2 | 175.8 | 179.4 | 151.7 | -152.9 | -7.9 | 111.5 | F88 I89 L94 F95 L96 | F88-R92 VanDerWaalsContact O-CB 3.32Å; F88-R92 WeakPolarHBondContact O-CB 3.5Å; F88-R92 PolarHBondContact O-N 3.41Å; I89-R92 PolarHBondContact O-N 2.86Å; I89-R92 VanDerWaalsContact O-N 3.16Å; R92-L94 VanDerWaalsContact C-N 3.33Å; R92-L94 PolarHBondContact O-N 3.43Å; R92-F95 PolarHBondContact O-N 2.92Å; R92-L96 HydrophobicContact CG-CD1 4.03Å; R92-L96 WeakPolarHBondContact O-CB 3.48Å; R92-L96 PolarHBondContact O-N 2.73Å |
| 93 | D | 47.8 | Very low | 44.3 | Very low | 84 Ų | 84 | 88.2 Ų | 88.2 | 45% | 0.449 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | -178.5 | -65 | -22.2 | 0 | 0 | 0 | 111.2 | I89 L96 L97 | I89-D93 WeakPolarHBondContact CG2-OD2 3.27Å; I89-D93 WeakPolarHBondContact O-CB 3.31Å; I89-D93 PolarHBondContact O-N 2.89Å; D93-L96 PolarHBondContact O-N 3.12Å; D93-L97 WeakPolarHBondContact O-CB 3.25Å; D93-L97 PolarHBondContact O-N 3.01Å |
| 94 | L | 44 | Very low | 44.4 | Very low | 68 Ų | 68 | 91 Ų | 91 | 36% | 0.356 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -74.2 | -35.6 | 177.9 | -164.3 | 77.6 | 0 | 0 | 0 | 112.7 | F64 R90 F91 R92 L96 L97 T98 | F64-L94 HydrophobicContact CD1-CD2 3.74Å; F64-L94 HydrophobicContact CE1-CD2 3.3Å; F64-L94 HydrophobicContact CE2-CD2 4.3Å; F64-L94 HydrophobicContact CG-CD2 4.42Å; F64-L94 HydrophobicContact CZ-CD2 3.62Å; R90-L94 WeakPolarHBondContact O-CB 3.34Å; R90-L94 PolarHBondContact O-N 2.7Å; F91-L94 PolarHBondContact O-N 3.25Å; R92-L94 VanDerWaalsContact C-N 3.33Å; R92-L94 PolarHBondContact O-N 3.43Å; L94-L96 VanDerWaalsContact C-N 3.35Å; L94-L97 PolarHBondContact O-N 3.06Å; L94-T98 PolarHBondContact O-N 3.37Å; L94-T98 PolarHBondContact O-OG1 2.87Å |
| 95 | F | 46.2 | Very low | 44.3 | Very low | 80 Ų | 80 | 92.2 Ų | 92.2 | 35% | 0.351 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 172.6 | -165.8 | -90.5 | 0 | 0 | 0 | 109.9 | I61 F91 R92 L97 T98 Y99 | I61-F95 HydrophobicContact CD1-CE2 4.12Å; I61-F95 HydrophobicContact CG1-CE2 4.47Å; F91-F95 HydrophobicContact CE1-CD2 4.48Å; F91-F95 WeakPolarHBondContact O-CB 3.36Å; F91-F95 PolarHBondContact O-N 3Å; R92-F95 PolarHBondContact O-N 2.92Å; F95-L97 VanDerWaalsContact C-N 3.33Å; F95-L97 PolarHBondContact O-N 3.4Å; F95-T98 PolarHBondContact O-N 2.73Å; F95-T98 PolarHBondContact O-OG1 3.18Å; F95-T98 VanDerWaalsContact O-OG1 3.08Å; F95-Y99 AromaticContact CE1-CD2 3.83Å; F95-Y99 HydrophobicContact CE1-CD2 3.83Å; F95-Y99 HydrophobicContact CE1-CE2 4.35Å; F95-Y99 HydrophobicContact CE1-CG 4.29Å; F95-Y99 HydrophobicContact CZ-CD2 4.07Å; F95-Y99 HydrophobicContact CZ-CE2 4.4Å; F95-Y99 WeakPolarHBondContact O-CB 3.37Å; F95-Y99 PolarHBondContact O-N 3.19Å |
| 96 | L | 48.5 | Very low | 44.1 | Very low | 80 Ų | 80 | 94.8 Ų | 94.8 | 42% | 0.419 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 171.3 | -103.3 | 137.9 | 0 | 0 | 0 | 111.6 | R92 D93 L94 T98 Y99 L100 | R92-L96 HydrophobicContact CG-CD1 4.03Å; R92-L96 WeakPolarHBondContact O-CB 3.48Å; R92-L96 PolarHBondContact O-N 2.73Å; D93-L96 PolarHBondContact O-N 3.12Å; L94-L96 VanDerWaalsContact C-N 3.35Å; L96-T98 VanDerWaalsContact C-N 3.29Å; L96-T98 PolarHBondContact O-N 3.39Å; L96-Y99 PolarHBondContact O-N 3.46Å; L96-L100 HydrophobicContact CD2-CD1 3.85Å; L96-L100 WeakPolarHBondContact O-CB 3.44Å; L96-L100 PolarHBondContact O-N 3.37Å |
| 97 | L | 46.4 | Very low | 44.2 | Very low | 126 Ų | 126 | 97.5 Ų | 97.5 | 66% | 0.66 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.6 | -33.6 | -179.5 | -158.7 | 104.4 | 0 | 0 | 0 | 113.2 | D93 L94 F95 P101 | D93-L97 WeakPolarHBondContact O-CB 3.25Å; D93-L97 PolarHBondContact O-N 3.01Å; L94-L97 PolarHBondContact O-N 3.06Å; F95-L97 VanDerWaalsContact C-N 3.33Å; F95-L97 PolarHBondContact O-N 3.4Å; L97-P101 WeakPolarHBondContact O-CD 3.22Å; L97-P101 WeakPolarHBondContact O-CG 3.41Å |
| 98 | T | 49.4 | Very low | 44.1 | Very low | 48 Ų | 48 | 100.6 Ų | 100.6 | 29% | 0.294 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -84.2 | -28.4 | 176.9 | 47.4 | 0 | 0 | 0 | 0 | 112.6 | L94 F95 L96 | L94-T98 PolarHBondContact O-N 3.37Å; L94-T98 PolarHBondContact O-OG1 2.87Å; F95-T98 PolarHBondContact O-N 2.73Å; F95-T98 PolarHBondContact O-OG1 3.18Å; F95-T98 VanDerWaalsContact O-OG1 3.08Å; L96-T98 VanDerWaalsContact C-N 3.29Å; L96-T98 PolarHBondContact O-N 3.39Å |
| 99 | Y | 43.3 | Very low | 44.2 | Very low | 133 Ų | 133 | 98.7 Ų | 98.7 | 52% | 0.522 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -82.7 | -35.8 | 179.5 | -146.2 | -95.6 | 0 | 0 | 0 | 113.1 | F95 L96 M102 T103 | F95-Y99 AromaticContact CE1-CD2 3.83Å; F95-Y99 HydrophobicContact CE1-CD2 3.83Å; F95-Y99 HydrophobicContact CE1-CE2 4.35Å; F95-Y99 HydrophobicContact CE1-CG 4.29Å; F95-Y99 HydrophobicContact CZ-CD2 4.07Å; F95-Y99 HydrophobicContact CZ-CE2 4.4Å; F95-Y99 WeakPolarHBondContact O-CB 3.37Å; F95-Y99 PolarHBondContact O-N 3.19Å; L96-Y99 PolarHBondContact O-N 3.46Å; Y99-M102 WeakPolarHBondContact O-CB 3.42Å; Y99-M102 PolarHBondContact O-N 2.74Å; Y99-M102 VanDerWaalsContact O-N 3.15Å; Y99-T103 HydrophobicContact CD1-CG2 3.85Å; Y99-T103 HydrophobicContact CE1-CG2 3.85Å; Y99-T103 PolarHBondContact O-N 2.95Å; Y99-T103 VanDerWaalsContact O-N 3.11Å; Y99-T103 PolarHBondContact O-OG1 3Å |
| 100 | L | 41.1 | Very low | 44.1 | Very low | 104 Ų | 104 | 99.3 Ų | 99.3 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -54.4 | -52.7 | -179.5 | -134.7 | 94.8 | 0 | 0 | 0 | 113.5 | L96 M102 T103 T104 | L96-L100 HydrophobicContact CD2-CD1 3.85Å; L96-L100 WeakPolarHBondContact O-CB 3.44Å; L96-L100 PolarHBondContact O-N 3.37Å; L100-M102 PolarHBondContact O-N 3.38Å; L100-T103 PolarHBondContact O-N 2.99Å; L100-T103 PolarHBondContact O-OG1 3.25Å; L100-T104 PolarHBondContact O-N 2.85Å; L100-T104 PolarHBondContact O-OG1 3.38Å |
| 101 | P | 42.7 | Very low | 43.9 | Very low | 66 Ų | 66 | 94.1 Ų | 94.1 | 43% | 0.429 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.9 | -22 | -178 | 25.1 | -32.8 | 0 | 0 | 0 | 112.5 | L97 T104 L105 | L97-P101 WeakPolarHBondContact O-CD 3.22Å; L97-P101 WeakPolarHBondContact O-CG 3.41Å; P101-T104 VanDerWaalsContact C-OG1 3.3Å; P101-T104 WeakPolarHBondContact CA-OG1 3.42Å; P101-T104 PolarHBondContact O-OG1 3.28Å; P101-L105 PolarHBondContact O-N 3.4Å |
| 102 | M | 38.2 | Very low | 43.7 | Very low | 30 Ų | 30 | 96 Ų | 96 | 15% | 0.148 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -80 | -36.6 | 179.8 | -69.3 | -78.9 | -70.9 | 0 | 0 | 111.9 | I53 T57 Y99 L100 T104 L105 | I53-M102 HydrophobicContact CG2-CE 3.19Å; I53-M102 HydrophobicContact CG2-SD 3.34Å; I53-M102 WeakPolarHBondContact CG2-SD 3.31Å; T57-M102 HydrophobicContact CG2-CE 3.35Å; T57-M102 HydrophobicContact CG2-CG 3.76Å; T57-M102 HydrophobicContact CG2-SD 3.74Å; T57-M102 WeakPolarHBondContact OG1-CE 3.44Å; Y99-M102 WeakPolarHBondContact O-CB 3.42Å; Y99-M102 PolarHBondContact O-N 2.74Å; Y99-M102 VanDerWaalsContact O-N 3.15Å; L100-M102 PolarHBondContact O-N 3.38Å; M102-T104 VanDerWaalsContact C-N 3.3Å; M102-T104 PolarHBondContact O-N 3.37Å; M102-L105 PolarHBondContact O-N 3.04Å |
| 103 | T | 43.3 | Very low | 43.6 | Very low | 71 Ų | 71 | 91.3 Ų | 91.3 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.6 | -32.9 | 173.3 | 47.6 | 0 | 0 | 0 | 0 | 112.4 | Y99 L100 L105 L106 | Y99-T103 HydrophobicContact CD1-CG2 3.85Å; Y99-T103 HydrophobicContact CE1-CG2 3.85Å; Y99-T103 PolarHBondContact O-N 2.95Å; Y99-T103 VanDerWaalsContact O-N 3.11Å; Y99-T103 PolarHBondContact O-OG1 3Å; L100-T103 PolarHBondContact O-N 2.99Å; L100-T103 PolarHBondContact O-OG1 3.25Å; T103-L105 VanDerWaalsContact C-N 3.31Å; T103-L105 PolarHBondContact O-N 3.11Å; T103-L106 PolarHBondContact O-N 3.15Å |
| 104 | T | 43.1 | Very low | 43.3 | Very low | 97 Ų | 97 | 91.8 Ų | 91.8 | 60% | 0.595 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -74.4 | -17.9 | 177.1 | 46.2 | 0 | 0 | 0 | 0 | 114.2 | L100 P101 M102 L106 | L100-T104 PolarHBondContact O-N 2.85Å; L100-T104 PolarHBondContact O-OG1 3.38Å; P101-T104 VanDerWaalsContact C-OG1 3.3Å; P101-T104 WeakPolarHBondContact CA-OG1 3.42Å; P101-T104 PolarHBondContact O-OG1 3.28Å; M102-T104 VanDerWaalsContact C-N 3.3Å; M102-T104 PolarHBondContact O-N 3.37Å; T104-L106 VanDerWaalsContact C-N 3.35Å |
| 105 | L | 39.8 | Very low | 43.2 | Very low | 128 Ų | 128 | 93.6 Ų | 93.6 | 67% | 0.67 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -10.7 | 173.3 | -92.2 | 159.8 | 0 | 0 | 0 | 113 | P101 M102 T103 | P101-L105 PolarHBondContact O-N 3.4Å; M102-L105 PolarHBondContact O-N 3.04Å; T103-L105 VanDerWaalsContact C-N 3.31Å; T103-L105 PolarHBondContact O-N 3.11Å |
| 106 | L | 39.6 | Very low | 43 | Very low | 110 Ų | 110 | 94.8 Ų | 94.8 | 58% | 0.576 | 54% | 0.54 | S | S | * | . | trans | -103.6 | -3.1 | 179.2 | -83.2 | 163.6 | 0 | 0 | 0 | 113.6 | T103 T104 | T103-L106 PolarHBondContact O-N 3.15Å; T104-L106 VanDerWaalsContact C-N 3.35Å | ||
| 107 | A | 40.3 | Very low | 42.5 | Very low | 144 Ų | 144 | 96.1 Ų | 96.1 | 100% | 1.19 | 55% | 0.551 | S | S | * | * | trans | -97.1 | 0 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 107 of 107 residues in 305 ms
(Link to these results)