| 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 | 47.6 | Very low | 67.2 | Low | 211 Ų | 211 | 118 Ų | 118 | 100% | 1.039 | 61% | 0.61 | S | S | * | * | 0 | 97.4 | 0 | -158.4 | 151.6 | 87.1 | 0 | 0 | 105.3 | |||||
| 2 | D | 52.4 | Low | 68.3 | Low | 124 Ų | 124 | 117.4 Ų | 117.4 | 66% | 0.663 | 61% | 0.608 | S | S | * | * | trans | -72.4 | 136.3 | -161.3 | -63.9 | -34.2 | 0 | 0 | 0 | 110.3 | N4 E5 | D2-N4 PolarHBondContact O-N 3.37Å; D2-E5 PolarHBondContact O-N 3.2Å | ||
| 3 | T | 63.6 | Low | 69.5 | Low | 119 Ų | 119 | 118.1 Ų | 118.1 | 73% | 0.73 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -49.8 | -27.2 | -176.9 | -46.2 | 0 | 0 | 0 | 0 | 112.9 | F6 V7 | T3-F6 PolarHBondContact O-N 3.32Å; T3-V7 WeakPolarHBondContact O-CG2 3.43Å; T3-V7 PolarHBondContact O-N 3.39Å |
| 4 | N | 59.7 | Low | 70.5 | Confident | 129 Ų | 129 | 117 Ų | 117 | 69% | 0.69 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.3 | -38.7 | 174.3 | -105.3 | -1 | 0 | 0 | 0 | 114.1 | D2 F6 V7 V8 | D2-N4 PolarHBondContact O-N 3.37Å; N4-F6 VanDerWaalsContact C-N 3.3Å; N4-F6 PolarHBondContact O-N 2.74Å; N4-V7 PolarHBondContact O-N 3.16Å; N4-V8 WeakPolarHBondContact O-CG2 3.29Å; N4-V8 PolarHBondContact O-N 2.88Å |
| 5 | E | 65.1 | Low | 71.1 | Confident | 136 Ų | 136 | 112.4 Ų | 112.4 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.6 | -37.2 | 176.6 | -78.5 | -148.1 | 132.9 | 0 | 0 | 111.6 | D2 V7 V8 L9 | D2-E5 PolarHBondContact O-N 3.2Å; E5-V7 VanDerWaalsContact C-N 3.32Å; E5-V7 PolarHBondContact O-N 3.31Å; E5-V8 PolarHBondContact O-N 3.38Å; E5-L9 VanDerWaalsContact O-CB 3.28Å; E5-L9 WeakPolarHBondContact O-CB 3.28Å; E5-L9 PolarHBondContact O-N 3.01Å |
| 6 | F | 68.8 | Low | 71.8 | Confident | 113 Ų | 113 | 114.1 Ų | 114.1 | 50% | 0.496 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.6 | -34 | 178.1 | -166.8 | -107.2 | 0 | 0 | 0 | 112.3 | T3 N4 K10 | T3-F6 PolarHBondContact O-N 3.32Å; N4-F6 VanDerWaalsContact C-N 3.3Å; N4-F6 PolarHBondContact O-N 2.74Å; F6-K10 HydrophobicContact CD1-CD 4.28Å; F6-K10 HydrophobicContact CE1-CD 3.98Å; F6-K10 WeakPolarHBondContact O-CB 3.38Å; F6-K10 WeakPolarHBondContact O-CG 3.34Å; F6-K10 PolarHBondContact O-N 3.01Å; F6-K10 VanDerWaalsContact O-N 3.09Å |
| 7 | V | 73.4 | Confident | 72.4 | Confident | 71 Ų | 71 | 113.5 Ų | 113.5 | 43% | 0.43 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -71.2 | -44.5 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | T3 N4 E5 L9 K10 L11 | T3-V7 WeakPolarHBondContact O-CG2 3.43Å; T3-V7 PolarHBondContact O-N 3.39Å; N4-V7 PolarHBondContact O-N 3.16Å; E5-V7 VanDerWaalsContact C-N 3.32Å; E5-V7 PolarHBondContact O-N 3.31Å; V7-L9 VanDerWaalsContact C-N 3.35Å; V7-L9 PolarHBondContact O-N 2.9Å; V7-K10 PolarHBondContact O-N 3.43Å; V7-L11 HydrophobicContact CG1-CD1 4.16Å; V7-L11 WeakPolarHBondContact O-CG 3.46Å; V7-L11 PolarHBondContact O-N 3.34Å |
| 8 | V | 72.4 | Confident | 72.9 | Confident | 81 Ų | 81 | 111.7 Ų | 111.7 | 49% | 0.491 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.3 | -44 | 176.7 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | N4 E5 K10 L11 L12 | N4-V8 WeakPolarHBondContact O-CG2 3.29Å; N4-V8 PolarHBondContact O-N 2.88Å; E5-V8 PolarHBondContact O-N 3.38Å; V8-K10 VanDerWaalsContact C-N 3.33Å; V8-K10 PolarHBondContact O-N 3.39Å; V8-L11 PolarHBondContact O-N 3.46Å; V8-L12 HydrophobicContact CG1-CD1 4.11Å; V8-L12 HydrophobicContact CG1-CG 4.45Å; V8-L12 WeakPolarHBondContact O-CG 3.31Å; V8-L12 PolarHBondContact O-N 2.91Å |
| 9 | L | 77.4 | Confident | 72.9 | Confident | 89 Ų | 89 | 110.6 Ų | 110.6 | 47% | 0.466 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.8 | -44.4 | 176.9 | -169.3 | 68.7 | 0 | 0 | 0 | 111.2 | E5 V7 L11 L12 F13 | E5-L9 VanDerWaalsContact O-CB 3.28Å; E5-L9 WeakPolarHBondContact O-CB 3.28Å; E5-L9 PolarHBondContact O-N 3.01Å; V7-L9 VanDerWaalsContact C-N 3.35Å; V7-L9 PolarHBondContact O-N 2.9Å; L9-L11 PolarHBondContact O-N 3.05Å; L9-L12 PolarHBondContact O-N 3.43Å; L9-F13 HydrophobicContact CD1-CD2 4.21Å; L9-F13 HydrophobicContact CD1-CE2 3.79Å; L9-F13 HydrophobicContact CD2-CE2 4.2Å; L9-F13 HydrophobicContact CG-CD2 3.88Å; L9-F13 HydrophobicContact CG-CE2 3.71Å; L9-F13 WeakPolarHBondContact O-CD2 3.38Å; L9-F13 PolarHBondContact O-N 3.48Å |
| 10 | K | 77.8 | Confident | 73.1 | Confident | 119 Ų | 119 | 108.3 Ų | 108.3 | 52% | 0.517 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.6 | -41.1 | 175.1 | -82.4 | -172.4 | 168.1 | -173.4 | 0 | 113.1 | F6 V7 V8 F13 L14 | F6-K10 HydrophobicContact CD1-CD 4.28Å; F6-K10 HydrophobicContact CE1-CD 3.98Å; F6-K10 WeakPolarHBondContact O-CB 3.38Å; F6-K10 WeakPolarHBondContact O-CG 3.34Å; F6-K10 PolarHBondContact O-N 3.01Å; F6-K10 VanDerWaalsContact O-N 3.09Å; V7-K10 PolarHBondContact O-N 3.43Å; V8-K10 VanDerWaalsContact C-N 3.33Å; V8-K10 PolarHBondContact O-N 3.39Å; K10-F13 PolarHBondContact O-N 3.42Å; K10-L14 WeakPolarHBondContact O-CB 3.47Å; K10-L14 VanDerWaalsContact O-CG 3.27Å; K10-L14 WeakPolarHBondContact O-CG 3.26Å; K10-L14 PolarHBondContact O-N 2.94Å |
| 11 | L | 80.9 | Confident | 73.2 | Confident | 106 Ų | 106 | 112.7 Ų | 112.7 | 56% | 0.555 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.7 | -39.6 | 177.4 | -71.3 | 171 | 0 | 0 | 0 | 111.7 | V7 V8 L9 L14 A15 | V7-L11 HydrophobicContact CG1-CD1 4.16Å; V7-L11 WeakPolarHBondContact O-CG 3.46Å; V7-L11 PolarHBondContact O-N 3.34Å; V8-L11 PolarHBondContact O-N 3.46Å; L9-L11 PolarHBondContact O-N 3.05Å; L11-L14 PolarHBondContact O-N 3.28Å; L11-A15 WeakPolarHBondContact O-CB 3.44Å; L11-A15 PolarHBondContact O-N 3.2Å |
| 12 | L | 80.8 | Confident | 74 | Confident | 111 Ų | 111 | 109.1 Ų | 109.1 | 58% | 0.581 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.8 | -42.6 | 175.5 | -69.8 | 173 | 0 | 0 | 0 | 112.1 | V8 L9 A15 F16 | V8-L12 HydrophobicContact CG1-CD1 4.11Å; V8-L12 HydrophobicContact CG1-CG 4.45Å; V8-L12 WeakPolarHBondContact O-CG 3.31Å; V8-L12 PolarHBondContact O-N 2.91Å; L9-L12 PolarHBondContact O-N 3.43Å; L12-A15 PolarHBondContact O-N 3.07Å; L12-F16 WeakPolarHBondContact O-CB 3.33Å; L12-F16 PolarHBondContact O-N 2.98Å |
| 13 | F | 83.9 | Confident | 74.5 | Confident | 126 Ų | 126 | 110.5 Ų | 110.5 | 55% | 0.553 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.7 | -43 | 174.2 | -88 | -71.5 | 0 | 0 | 0 | 112.1 | L9 K10 F16 L17 | L9-F13 HydrophobicContact CD1-CD2 4.21Å; L9-F13 HydrophobicContact CD1-CE2 3.79Å; L9-F13 HydrophobicContact CD2-CE2 4.2Å; L9-F13 HydrophobicContact CG-CD2 3.88Å; L9-F13 HydrophobicContact CG-CE2 3.71Å; L9-F13 WeakPolarHBondContact O-CD2 3.38Å; L9-F13 PolarHBondContact O-N 3.48Å; K10-F13 PolarHBondContact O-N 3.42Å; F13-F16 PolarHBondContact O-N 2.92Å; F13-L17 WeakPolarHBondContact O-CB 3.26Å; F13-L17 VanDerWaalsContact O-CG 3.28Å; F13-L17 WeakPolarHBondContact O-CG 3.49Å; F13-L17 PolarHBondContact O-N 3.41Å |
| 14 | L | 82.7 | Confident | 74.4 | Confident | 103 Ų | 103 | 108.9 Ų | 108.9 | 54% | 0.539 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.7 | -43.3 | 176 | -74.6 | 168.7 | 0 | 0 | 0 | 111.5 | K10 L11 F16 L17 V18 | K10-L14 WeakPolarHBondContact O-CB 3.47Å; K10-L14 VanDerWaalsContact O-CG 3.27Å; K10-L14 WeakPolarHBondContact O-CG 3.26Å; K10-L14 PolarHBondContact O-N 2.94Å; L11-L14 PolarHBondContact O-N 3.28Å; L14-F16 PolarHBondContact O-N 3.34Å; L14-L17 PolarHBondContact O-N 2.99Å; L14-V18 WeakPolarHBondContact O-CB 3.49Å; L14-V18 WeakPolarHBondContact O-CG2 3.29Å; L14-V18 PolarHBondContact O-N 3.5Å |
| 15 | A | 79.4 | Confident | 74.4 | Confident | 48 Ų | 48 | 105.9 Ų | 105.9 | 40% | 0.397 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.2 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L11 L12 V18 N19 | L11-A15 WeakPolarHBondContact O-CB 3.44Å; L11-A15 PolarHBondContact O-N 3.2Å; L12-A15 PolarHBondContact O-N 3.07Å; A15-V18 PolarHBondContact O-N 3.49Å; A15-N19 WeakPolarHBondContact O-CB 3.33Å; A15-N19 PolarHBondContact O-N 3.35Å; A15-N19 PolarHBondContact O-ND2 3.47Å |
| 16 | F | 83.6 | Confident | 73.7 | Confident | 139 Ų | 139 | 105.3 Ų | 105.3 | 61% | 0.61 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.9 | -47.3 | 176.2 | -173.1 | -95.6 | 0 | 0 | 0 | 111.5 | L12 F13 L14 V18 N19 T20 | L12-F16 WeakPolarHBondContact O-CB 3.33Å; L12-F16 PolarHBondContact O-N 2.98Å; F13-F16 PolarHBondContact O-N 2.92Å; L14-F16 PolarHBondContact O-N 3.34Å; F16-V18 PolarHBondContact O-N 3.35Å; F16-N19 PolarHBondContact O-N 3.26Å; F16-T20 HydrophobicContact CD1-CG2 4.01Å; F16-T20 HydrophobicContact CE1-CG2 3.63Å; F16-T20 HydrophobicContact CE2-CG2 4.49Å; F16-T20 HydrophobicContact CZ-CG2 3.9Å; F16-T20 WeakPolarHBondContact O-CG2 3.43Å; F16-T20 PolarHBondContact O-N 2.96Å; F16-T20 PolarHBondContact O-OG1 2.96Å |
| 17 | L | 82 | Confident | 73 | Confident | 104 Ų | 104 | 104.3 Ų | 104.3 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.6 | -44.8 | 177.7 | -74 | 170.1 | 0 | 0 | 0 | 112 | F13 L14 T20 W21 | F13-L17 WeakPolarHBondContact O-CB 3.26Å; F13-L17 VanDerWaalsContact O-CG 3.28Å; F13-L17 WeakPolarHBondContact O-CG 3.49Å; F13-L17 PolarHBondContact O-N 3.41Å; L14-L17 PolarHBondContact O-N 2.99Å; L17-T20 WeakPolarHBondContact CA-OG1 3.41Å; L17-T20 PolarHBondContact O-N 2.66Å; L17-T20 PolarHBondContact O-OG1 3.29Å; L17-W21 WeakPolarHBondContact O-CB 3.32Å; L17-W21 PolarHBondContact O-N 3.01Å |
| 18 | V | 80 | Confident | 71.6 | Confident | 82 Ų | 82 | 105.4 Ų | 105.4 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.6 | -44 | 177.4 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | L14 A15 F16 W21 M22 | L14-V18 WeakPolarHBondContact O-CB 3.49Å; L14-V18 WeakPolarHBondContact O-CG2 3.29Å; L14-V18 PolarHBondContact O-N 3.5Å; A15-V18 PolarHBondContact O-N 3.49Å; F16-V18 PolarHBondContact O-N 3.35Å; V18-W21 PolarHBondContact O-N 3.25Å; V18-M22 WeakPolarHBondContact O-CB 3.48Å; V18-M22 PolarHBondContact O-N 3.48Å |
| 19 | N | 74.3 | Confident | 70.5 | Confident | 91 Ų | 91 | 105.9 Ų | 105.9 | 49% | 0.487 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.2 | -43.6 | 177.2 | -76.2 | -56.8 | 0 | 0 | 0 | 112 | A15 F16 W21 M22 M23 | A15-N19 WeakPolarHBondContact O-CB 3.33Å; A15-N19 PolarHBondContact O-N 3.35Å; A15-N19 PolarHBondContact O-ND2 3.47Å; F16-N19 PolarHBondContact O-N 3.26Å; N19-W21 VanDerWaalsContact C-N 3.31Å; N19-W21 PolarHBondContact O-N 3.23Å; N19-M22 PolarHBondContact O-N 2.9Å; N19-M23 WeakPolarHBondContact O-CG 3.29Å; N19-M23 PolarHBondContact O-N 3.02Å; N19-M23 VanDerWaalsContact O-N 3.07Å |
| 20 | T | 75.7 | Confident | 68.8 | Low | 63 Ų | 63 | 108.9 Ų | 108.9 | 39% | 0.387 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.5 | -37.2 | 176.3 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | F16 L17 M23 S24 | F16-T20 HydrophobicContact CD1-CG2 4.01Å; F16-T20 HydrophobicContact CE1-CG2 3.63Å; F16-T20 HydrophobicContact CE2-CG2 4.49Å; F16-T20 HydrophobicContact CZ-CG2 3.9Å; F16-T20 WeakPolarHBondContact O-CG2 3.43Å; F16-T20 PolarHBondContact O-N 2.96Å; F16-T20 PolarHBondContact O-OG1 2.96Å; L17-T20 WeakPolarHBondContact CA-OG1 3.41Å; L17-T20 PolarHBondContact O-N 2.66Å; L17-T20 PolarHBondContact O-OG1 3.29Å; T20-M23 PolarHBondContact O-N 3.35Å; T20-S24 PolarHBondContact O-N 3.47Å; T20-S24 PolarHBondContact O-OG 2.97Å |
| 21 | W | 75.1 | Confident | 67.3 | Low | 201 Ų | 201 | 108.2 Ų | 108.2 | 76% | 0.761 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.2 | -37.3 | 177.4 | -174.5 | 53.2 | 0 | 0 | 0 | 111.9 | L17 V18 N19 M23 S24 | L17-W21 WeakPolarHBondContact O-CB 3.32Å; L17-W21 PolarHBondContact O-N 3.01Å; V18-W21 PolarHBondContact O-N 3.25Å; N19-W21 VanDerWaalsContact C-N 3.31Å; N19-W21 PolarHBondContact O-N 3.23Å; W21-M23 VanDerWaalsContact C-N 3.33Å; W21-M23 PolarHBondContact O-N 3Å; W21-S24 WeakPolarHBondContact CA-OG 3.45Å; W21-S24 PolarHBondContact O-N 3.26Å; W21-S24 PolarHBondContact O-OG 3.5Å |
| 22 | M | 65.9 | Low | 65.4 | Low | 137 Ų | 137 | 111.7 Ų | 111.7 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.2 | -33.5 | 176.4 | -158.6 | 158.6 | 89.2 | 0 | 0 | 112.2 | V18 N19 | V18-M22 WeakPolarHBondContact O-CB 3.48Å; V18-M22 PolarHBondContact O-N 3.48Å; N19-M22 PolarHBondContact O-N 2.9Å |
| 23 | M | 61.7 | Low | 63.7 | Low | 152 Ų | 152 | 113.2 Ų | 113.2 | 75% | 0.749 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -75.2 | -26 | 176.5 | -67.5 | -173.9 | 82.2 | 0 | 0 | 113.9 | N19 T20 W21 G25 | N19-M23 WeakPolarHBondContact O-CG 3.29Å; N19-M23 PolarHBondContact O-N 3.02Å; N19-M23 VanDerWaalsContact O-N 3.07Å; T20-M23 PolarHBondContact O-N 3.35Å; W21-M23 VanDerWaalsContact C-N 3.33Å; W21-M23 PolarHBondContact O-N 3Å; M23-G25 PolarHBondContact O-N 3.47Å |
| 24 | S | 62.4 | Low | 61.8 | Low | 86 Ų | 86 | 112.3 Ų | 112.3 | 60% | 0.601 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -9.1 | 175.3 | 38.7 | 0 | 0 | 0 | 0 | 114.8 | T20 W21 | T20-S24 PolarHBondContact O-N 3.47Å; T20-S24 PolarHBondContact O-OG 2.97Å; W21-S24 WeakPolarHBondContact CA-OG 3.45Å; W21-S24 PolarHBondContact O-N 3.26Å; W21-S24 PolarHBondContact O-OG 3.5Å |
| 25 | G | 59.2 | Low | 59.9 | Low | 66 Ų | 66 | 115 Ų | 115 | 68% | 0.68 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -11.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | M23 | M23-G25 PolarHBondContact O-N 3.47Š|
| 26 | T | 50.6 | Low | 58.5 | Low | 124 Ų | 124 | 118.4 Ų | 118.4 | 76% | 0.761 | 66% | 0.662 | S | S | * | * | trans | -106.9 | 67.5 | -177.4 | 60.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 27 | S | 53.3 | Low | 56.6 | Low | 92 Ų | 92 | 117.5 Ų | 117.5 | 64% | 0.643 | 67% | 0.667 | S | S | * | * | trans | -104.6 | 101.5 | 162.7 | 169.6 | 0 | 0 | 0 | 0 | 107.5 | S29 | S27-S29 PolarHBondContact O-N 3.28Å; S27-S29 PolarHBondContact OG-OG 3.37Å | ||
| 28 | A | 44.9 | Very low | 54.8 | Low | 94 Ų | 94 | 116.5 Ų | 116.5 | 78% | 0.777 | 66% | 0.662 | S | S | * | * | trans | -74.3 | 91 | 170 | 0 | 0 | 0 | 0 | 0 | 108.9 | D30 | A28-D30 PolarHBondContact O-N 2.96Š| ||
| 29 | S | 49.7 | Very low | 52.9 | Low | 91 Ų | 91 | 118.9 Ų | 118.9 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | trans | -90.3 | 79.3 | 166.8 | -56 | 0 | 0 | 0 | 0 | 108.5 | S27 T31 | S27-S29 PolarHBondContact O-N 3.28Å; S27-S29 PolarHBondContact OG-OG 3.37Å; S29-T31 VanDerWaalsContact C-N 3.33Å; S29-T31 PolarHBondContact O-N 2.92Å | ||
| 30 | D | 41.8 | Very low | 51.5 | Low | 151 Ų | 151 | 124.1 Ų | 124.1 | 81% | 0.807 | 69% | 0.69 | S | S | * | * | trans | -71.7 | 90.2 | 171.7 | -82.1 | -30.1 | 0 | 0 | 0 | 109.5 | A28 F32 | A28-D30 PolarHBondContact O-N 2.96Å; D30-F32 PolarHBondContact O-N 3.23Å | ||
| 31 | T | 46.2 | Very low | 50.3 | Low | 105 Ų | 105 | 129.2 Ų | 129.2 | 64% | 0.644 | 71% | 0.709 | S | S | * | * | trans | -87.7 | 91.8 | 166.2 | -50.6 | 0 | 0 | 0 | 0 | 107.5 | S29 N33 | S29-T31 VanDerWaalsContact C-N 3.33Å; S29-T31 PolarHBondContact O-N 2.92Å; T31-N33 VanDerWaalsContact C-N 3.28Å; T31-N33 PolarHBondContact O-N 2.88Å | ||
| 32 | F | 39.6 | Very low | 49.4 | Very low | 179 Ų | 179 | 130.3 Ų | 130.3 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | trans | -69.9 | 86.5 | 173.2 | -136.5 | -93.5 | 0 | 0 | 0 | 108.8 | D30 L34 | D30-F32 PolarHBondContact O-N 3.23Å; F32-L34 VanDerWaalsContact C-N 3.25Å; F32-L34 HydrophobicContact CD1-CB 4.44Å; F32-L34 HydrophobicContact CD1-CD1 3.52Å; F32-L34 HydrophobicContact CE1-CD1 3.34Å; F32-L34 PolarHBondContact O-N 3.44Å | ||
| 33 | N | 44.9 | Very low | 49.3 | Very low | 143 Ų | 143 | 131.7 Ų | 131.7 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | trans | -71.5 | 85.4 | 168.5 | -75.3 | -70 | 0 | 0 | 0 | 108.4 | T31 E35 | T31-N33 VanDerWaalsContact C-N 3.28Å; T31-N33 PolarHBondContact O-N 2.88Å; N33-E35 PolarHBondContact O-N 3.46Å | ||
| 34 | L | 44.9 | Very low | 50.1 | Low | 107 Ų | 107 | 132.2 Ų | 132.2 | 56% | 0.56 | 72% | 0.716 | S | S | * | * | trans | -82.7 | 93.4 | 168.4 | -142.9 | 85.8 | 0 | 0 | 0 | 108.4 | F32 I38 | F32-L34 VanDerWaalsContact C-N 3.25Å; F32-L34 HydrophobicContact CD1-CB 4.44Å; F32-L34 HydrophobicContact CD1-CD1 3.52Å; F32-L34 HydrophobicContact CE1-CD1 3.34Å; F32-L34 PolarHBondContact O-N 3.44Å; L34-I38 HydrophobicContact CD2-CD1 3.89Å | ||
| 35 | E | 43.5 | Very low | 51.3 | Low | 161 Ų | 161 | 130.3 Ų | 130.3 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | trans | -55 | 121 | 158.2 | -173.9 | 134.9 | 106.7 | 0 | 0 | 108 | N33 T37 | N33-E35 PolarHBondContact O-N 3.46Å; E35-T37 PolarHBondContact O-N 2.92Å | ||
| 36 | P | 49.7 | Very low | 52.9 | Low | 119 Ų | 119 | 131.3 Ų | 131.3 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | trans | -83.5 | 66.8 | -172.4 | 35.3 | -33.8 | 0 | 0 | 0 | 109.2 | ||||
| 37 | T | 42.9 | Very low | 54.8 | Low | 119 Ų | 119 | 131.3 Ų | 131.3 | 73% | 0.73 | 68% | 0.683 | S | S | * | * | trans | -102.5 | 66.4 | 160.2 | -42.6 | 0 | 0 | 0 | 0 | 107.6 | E35 | E35-T37 PolarHBondContact O-N 2.92Š| ||
| 38 | I | 45.1 | Very low | 56.8 | Low | 84 Ų | 84 | 131.5 Ų | 131.5 | 43% | 0.431 | 68% | 0.684 | S | S | . | * | trans | -119.1 | 96.2 | 164.2 | -25.4 | 174 | 0 | 0 | 0 | 109.5 | L34 W40 | L34-I38 HydrophobicContact CD2-CD1 3.89Å; I38-W40 VanDerWaalsContact CB-CD1 3.47Å; I38-W40 HydrophobicContact CB-CG 4.13Å; I38-W40 VanDerWaalsContact CD1-NE1 3.34Å; I38-W40 HydrophobicContact CG2-CB 4.36Å; I38-W40 HydrophobicContact CG2-CD2 3.61Å; I38-W40 HydrophobicContact CG2-CG 3.47Å; I38-W40 VanDerWaalsContact CG2-CG 3.47Å; I38-W40 HydrophobicContact CG2-CZ2 4.05Å; I38-W40 PolarHBondContact O-N 3.42Å | ||
| 39 | T | 39.9 | Very low | 59.2 | Low | 131 Ų | 131 | 133.9 Ų | 133.9 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -65.3 | 61.7 | 150.2 | 49.5 | 0 | 0 | 0 | 0 | 108.6 | Q41 | T39-Q41 PolarHBondContact O-N 2.79Š| ||
| 40 | W | 44.6 | Very low | 61.5 | Low | 202 Ų | 202 | 129.6 Ų | 129.6 | 77% | 0.765 | 64% | 0.643 | S | S | * | * | trans | -66.7 | 95.2 | 149.7 | -66.3 | 120.5 | 0 | 0 | 0 | 103.1 | I38 R42 | I38-W40 VanDerWaalsContact CB-CD1 3.47Å; I38-W40 HydrophobicContact CB-CG 4.13Å; I38-W40 VanDerWaalsContact CD1-NE1 3.34Å; I38-W40 HydrophobicContact CG2-CB 4.36Å; I38-W40 HydrophobicContact CG2-CD2 3.61Å; I38-W40 HydrophobicContact CG2-CG 3.47Å; I38-W40 VanDerWaalsContact CG2-CG 3.47Å; I38-W40 HydrophobicContact CG2-CZ2 4.05Å; I38-W40 PolarHBondContact O-N 3.42Å; W40-R42 PolarHBondContact O-N 3.12Å | ||
| 41 | Q | 49.9 | Very low | 64.1 | Low | 170 Ų | 170 | 129.9 Ų | 129.9 | 79% | 0.794 | 63% | 0.633 | S | S | * | * | trans | -48.4 | 100.4 | 154.8 | -150.9 | 116.5 | -50.6 | 0 | 0 | 104 | T39 R43 | T39-Q41 PolarHBondContact O-N 2.79Å; Q41-R43 PolarHBondContact O-N 3.17Å | ||
| 42 | R | 56.9 | Low | 66.5 | Low | 223 Ų | 223 | 132.2 Ų | 132.2 | 84% | 0.842 | 63% | 0.63 | S | S | * | * | trans | -66.4 | 85.9 | -178.9 | -168.5 | -172.4 | -74.6 | -161.9 | -2.1 | 103.7 | W40 L44 | W40-R42 PolarHBondContact O-N 3.12Å; R42-L44 PolarHBondContact O-N 3.49Å | ||
| 43 | R | 64.4 | Low | 69.3 | Low | 166 Ų | 166 | 124.2 Ų | 124.2 | 63% | 0.626 | 60% | 0.595 | S | S | * | * | trans | -55.4 | 114.4 | 173.3 | -80.9 | -168.2 | -159.8 | -148 | 3.8 | 104.1 | Q41 C45 D98 | Q41-R43 PolarHBondContact O-N 3.17Å; R43-C45 PolarHBondContact O-N 2.97Å; R43-D98 HydrophobicContact CB-CB 4.07Å; R43-D98 VanDerWaalsContact CD-CB 3.5Å; R43-D98 WeakPolarHBondContact CD-OD1 3.21Å; R43-D98 WeakPolarHBondContact CD-OD2 3.46Å; R43-D98 HydrophobicContact CG-CB 4.39Å; R43-D98 IonicContact CZ-OD1 3.5Å; R43-D98 IonicContact CZ-OD2 3.91Å; R43-D98 IonicContact NE-OD1 3.76Å; R43-D98 IonicContact NH1-OD1 2.76Å; R43-D98 PolarHBondContact NH1-OD1 3.03Å; R43-D98 IonicContact NH1-OD2 2.95Å; R43-D98 PolarHBondContact NH1-OD2 3.18Å | ||
| 44 | L | 78.7 | Confident | 71.8 | Confident | 164 Ų | 164 | 117.4 Ų | 117.4 | 86% | 0.859 | 56% | 0.559 | S | S | * | * | trans | -67.9 | 105.1 | 178.5 | -76.6 | 114.9 | 0 | 0 | 0 | 106 | R42 N46 | R42-L44 PolarHBondContact O-N 3.49Å; L44-N46 PolarHBondContact O-N 3.43Å | ||
| 45 | C | 87.4 | Confident | 74.3 | Confident | 46 Ų | 46 | 116.9 Ų | 116.9 | 31% | 0.311 | 55% | 0.553 | S | S | . | * | trans | -57.1 | 122.4 | 170.3 | 170.4 | 0 | 0 | 0 | 0 | 108.2 | R43 E47 C99 | R43-C45 PolarHBondContact O-N 2.97Å; C45-E47 PolarHBondContact O-N 3.02Å; C45-E47 VanDerWaalsContact O-N 3.12Å; C45-C99 VanDerWaalsContact CA-SG 3.51Å; C45-C99 HydrophobicContact CB-CB 3.93Å; C45-C99 WeakPolarHBondContact CB-SG 3.33Å; C45-C99 WeakPolarHBondContact SG-CB 3.34Å; C45-C99 CovalentContact SG-SG 2.02Å; C45-C99 PolarHBondContact SG-SG 3.48Å | ||
| 46 | N | 91.6 | Very high | 76.9 | Confident | 86 Ų | 86 | 111.4 Ų | 111.4 | 46% | 0.46 | 53% | 0.531 | S | S | . | . | trans | -82.6 | 88.7 | 173.8 | -173.7 | -24.4 | 0 | 0 | 0 | 108.8 | L44 S48 R49 L50 | L44-N46 PolarHBondContact O-N 3.43Å; N46-S48 PolarHBondContact O-N 2.84Å; N46-S48 PolarHBondContact OD1-N 3.04Å; N46-R49 HydrophobicContact CB-CB 4.11Å; N46-R49 PolarHBondContact O-N 2.7Å; N46-R49 PolarHBondContact OD1-N 2.84Å; N46-R49 VanDerWaalsContact OD1-N 3.12Å; N46-L50 PolarHBondContact O-N 2.9Å | ||
| 47 | E | 91.8 | Very high | 79.2 | Confident | 125 Ų | 125 | 105.9 Ų | 105.9 | 58% | 0.584 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.7 | -35 | -177.2 | -65 | -175.5 | -179.5 | 0 | 0 | 113.1 | C45 R49 L50 R51 L105 | C45-E47 PolarHBondContact O-N 3.02Å; C45-E47 VanDerWaalsContact O-N 3.12Å; E47-R49 VanDerWaalsContact C-N 3.33Å; E47-R49 PolarHBondContact O-N 3.47Å; E47-L50 PolarHBondContact O-N 3.48Å; E47-R51 WeakPolarHBondContact O-CB 3.48Å; E47-R51 PolarHBondContact O-N 3.02Å; E47-L105 HydrophobicContact CB-CD1 4.26Å; E47-L105 WeakPolarHBondContact O-CD1 3.34Å |
| 48 | S | 94.6 | Very high | 81.8 | Confident | 95 Ų | 95 | 100.2 Ų | 100.2 | 66% | 0.664 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 176.9 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | N46 | N46-S48 PolarHBondContact O-N 2.84Å; N46-S48 PolarHBondContact OD1-N 3.04Å |
| 49 | R | 95.7 | Very high | 84.3 | Confident | 144 Ų | 144 | 100 Ų | 100 | 54% | 0.543 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -71.7 | -43 | 175.8 | -172.6 | 165.1 | 178.8 | 157.3 | -2.7 | 111.5 | N46 E47 R51 W52 E53 V97 | N46-R49 HydrophobicContact CB-CB 4.11Å; N46-R49 PolarHBondContact O-N 2.7Å; N46-R49 PolarHBondContact OD1-N 2.84Å; N46-R49 VanDerWaalsContact OD1-N 3.12Å; E47-R49 VanDerWaalsContact C-N 3.33Å; E47-R49 PolarHBondContact O-N 3.47Å; R49-R51 VanDerWaalsContact C-N 3.25Å; R49-R51 PolarHBondContact O-N 2.83Å; R49-W52 PolarHBondContact O-N 2.98Å; R49-W52 VanDerWaalsContact O-N 3.14Å; R49-E53 HydrophobicContact CG-CG 4.41Å; R49-E53 IonicContact NE-OE1 3.63Å; R49-E53 IonicContact NH2-OE1 3.85Å; R49-E53 WeakPolarHBondContact O-CG 3.46Å; R49-E53 PolarHBondContact O-N 3.18Å; R49-E53 VanDerWaalsContact O-N 3.1Å; R49-V97 HydrophobicContact CG-CG1 3.93Å |
| 50 | L | 96.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 96.9 Ų | 96.9 | 1% | 0.005 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -55.6 | -42.6 | 176 | 179.3 | 63.6 | 0 | 0 | 0 | 111.6 | N46 E47 W52 E53 V54 V97 C99 L105 | N46-L50 PolarHBondContact O-N 2.9Å; E47-L50 PolarHBondContact O-N 3.48Å; L50-W52 VanDerWaalsContact C-N 3.29Å; L50-W52 PolarHBondContact O-N 3.03Å; L50-E53 PolarHBondContact O-N 3.41Å; L50-V54 HydrophobicContact CD1-CG2 3.97Å; L50-V54 HydrophobicContact CG-CG2 4.22Å; L50-V54 VanDerWaalsContact O-CG2 3.28Å; L50-V54 WeakPolarHBondContact O-CG2 3.25Å; L50-V54 PolarHBondContact O-N 3.42Å; L50-V97 HydrophobicContact CB-CG2 4.09Å; L50-V97 HydrophobicContact CD1-CG2 3.77Å; L50-V97 HydrophobicContact CG-CG2 4.5Å; L50-C99 HydrophobicContact CD1-CB 4.47Å; L50-C99 HydrophobicContact CD2-CB 4.07Å; L50-L105 HydrophobicContact CB-CD1 4.47Å; L50-L105 HydrophobicContact CD2-CB 4.39Å; L50-L105 HydrophobicContact CD2-CD1 4.28Å; L50-L105 HydrophobicContact CD2-CD2 4.13Å; L50-L105 HydrophobicContact CG-CD1 4.41Å; L50-L105 HydrophobicContact CG-CD2 3.98Å |
| 51 | R | 97.2 | Very high | 89.6 | Confident | 158 Ų | 158 | 87.3 Ų | 87.3 | 60% | 0.596 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -52.5 | -48.2 | 176.3 | -167.7 | 177 | -62.4 | -179.2 | 1.4 | 112.5 | E47 R49 V54 E55 L105 | E47-R51 WeakPolarHBondContact O-CB 3.48Å; E47-R51 PolarHBondContact O-N 3.02Å; R49-R51 VanDerWaalsContact C-N 3.25Å; R49-R51 PolarHBondContact O-N 2.83Å; R51-V54 PolarHBondContact O-N 3.28Å; R51-E55 WeakPolarHBondContact O-CB 3.33Å; R51-E55 PolarHBondContact O-N 3.32Å; R51-L105 HydrophobicContact CB-CD1 4.06Å |
| 52 | W | 97.5 | Very high | 91.9 | Very high | 153 Ų | 153 | 82.4 Ų | 82.4 | 58% | 0.58 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -67.3 | -42.3 | -179.2 | -172.6 | 69.2 | 0 | 0 | 0 | 111.8 | R49 L50 V54 E55 V56 | R49-W52 PolarHBondContact O-N 2.98Å; R49-W52 VanDerWaalsContact O-N 3.14Å; L50-W52 VanDerWaalsContact C-N 3.29Å; L50-W52 PolarHBondContact O-N 3.03Å; W52-V54 VanDerWaalsContact C-N 3.31Å; W52-V54 PolarHBondContact O-N 2.94Å; W52-E55 PolarHBondContact O-N 3.46Å; W52-V56 HydrophobicContact CD2-CG2 4.47Å; W52-V56 HydrophobicContact CZ2-CG2 4.36Å; W52-V56 WeakPolarHBondContact O-CG2 3.33Å; W52-V56 PolarHBondContact O-N 3.09Å |
| 53 | E | 97.4 | Very high | 93.8 | Very high | 11 Ų | 11 | 77.3 Ų | 77.3 | 5% | 0.051 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64 | -37 | 178.1 | -60 | -73.5 | 178.8 | 0 | 0 | 112.2 | R49 L50 C57 K93 V97 | R49-E53 HydrophobicContact CG-CG 4.41Å; R49-E53 IonicContact NE-OE1 3.63Å; R49-E53 IonicContact NH2-OE1 3.85Å; R49-E53 WeakPolarHBondContact O-CG 3.46Å; R49-E53 PolarHBondContact O-N 3.18Å; R49-E53 VanDerWaalsContact O-N 3.1Å; L50-E53 PolarHBondContact O-N 3.41Å; E53-C57 PolarHBondContact O-N 3.46Å; E53-C57 PolarHBondContact O-SG 3.04Å; E53-C57 VanDerWaalsContact O-SG 3.41Å; E53-K93 HydrophobicContact CB-CB 3.83Å; E53-K93 HydrophobicContact CB-CD 4.07Å; E53-K93 HydrophobicContact CB-CG 3.99Å; E53-K93 HydrophobicContact CG-CD 4.47Å; E53-K93 VanDerWaalsContact OE2-CD 3.29Å; E53-K93 WeakPolarHBondContact OE2-CD 2.99Å; E53-K93 VanDerWaalsContact OE2-CE 3.28Å; E53-K93 WeakPolarHBondContact OE2-CE 3.31Å; E53-K93 IonicContact OE2-NZ 2.71Å; E53-K93 PolarHBondContact OE2-NZ 3.23Å; E53-V97 HydrophobicContact CG-CG1 4.03Å |
| 54 | V | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.9 | -38.2 | 175.7 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | L50 R51 W52 V56 C57 G58 T90 L105 V106 Y109 | L50-V54 HydrophobicContact CD1-CG2 3.97Å; L50-V54 HydrophobicContact CG-CG2 4.22Å; L50-V54 VanDerWaalsContact O-CG2 3.28Å; L50-V54 WeakPolarHBondContact O-CG2 3.25Å; L50-V54 PolarHBondContact O-N 3.42Å; R51-V54 PolarHBondContact O-N 3.28Å; W52-V54 VanDerWaalsContact C-N 3.31Å; W52-V54 PolarHBondContact O-N 2.94Å; V54-V56 VanDerWaalsContact C-N 3.33Å; V54-V56 PolarHBondContact O-N 3.49Å; V54-C57 WeakPolarHBondContact O-CB 3.34Å; V54-C57 PolarHBondContact O-N 2.96Å; V54-G58 PolarHBondContact O-N 3.26Å; V54-T90 HydrophobicContact CG1-CG2 4.39Å; V54-L105 HydrophobicContact CB-CD2 4.39Å; V54-L105 HydrophobicContact CG2-CD2 4.1Å; V54-V106 HydrophobicContact CG2-CG2 3.68Å; V54-Y109 HydrophobicContact CG1-CD1 3.37Å; V54-Y109 HydrophobicContact CG1-CD2 4.01Å; V54-Y109 HydrophobicContact CG1-CE1 3.95Å; V54-Y109 HydrophobicContact CG1-CG 3.4Å; V54-Y109 VanDerWaalsContact CG1-CG 3.4Å |
| 55 | E | 97.6 | Very high | 96.1 | Very high | 96 Ų | 96 | 64 Ų | 64 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 174.5 | -173.7 | 171.3 | -163 | 0 | 0 | 111.2 | R51 W52 C57 G58 E59 | R51-E55 WeakPolarHBondContact O-CB 3.33Å; R51-E55 PolarHBondContact O-N 3.32Å; W52-E55 PolarHBondContact O-N 3.46Å; E55-C57 PolarHBondContact O-N 2.96Å; E55-G58 PolarHBondContact O-N 3.47Å; E55-G58 VanDerWaalsContact O-N 3.1Å; E55-E59 PolarHBondContact O-N 2.04Å |
| 56 | V | 97.8 | Very high | 96.4 | Very high | 47 Ų | 47 | 65.8 Ų | 65.8 | 29% | 0.285 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.7 | -49.1 | 173.5 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | W52 V54 G58 E59 D60 | W52-V56 HydrophobicContact CD2-CG2 4.47Å; W52-V56 HydrophobicContact CZ2-CG2 4.36Å; W52-V56 WeakPolarHBondContact O-CG2 3.33Å; W52-V56 PolarHBondContact O-N 3.09Å; V54-V56 VanDerWaalsContact C-N 3.33Å; V54-V56 PolarHBondContact O-N 3.49Å; V56-G58 PolarHBondContact O-N 2.91Å; V56-E59 PolarHBondContact O-N 3.36Å; V56-D60 PolarHBondContact O-N 3.21Å; V56-D60 VanDerWaalsContact O-N 3.08Å |
| 57 | C | 98.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.1 | -38.2 | 176.3 | -65.9 | 0 | 0 | 0 | 0 | 112.5 | E53 V54 E55 F61 F86 C89 T90 K93 | E53-C57 PolarHBondContact O-N 3.46Å; E53-C57 PolarHBondContact O-SG 3.04Å; E53-C57 VanDerWaalsContact O-SG 3.41Å; V54-C57 WeakPolarHBondContact O-CB 3.34Å; V54-C57 PolarHBondContact O-N 2.96Å; E55-C57 PolarHBondContact O-N 2.96Å; C57-F61 WeakPolarHBondContact O-CB 3.05Å; C57-F61 PolarHBondContact O-N 2.89Å; C57-F86 HydrophobicContact CB-CD2 4.24Å; C57-F86 HydrophobicContact CB-CE2 4.35Å; C57-C89 VanDerWaalsContact CA-SG 3.53Å; C57-C89 HydrophobicContact CB-CB 3.75Å; C57-C89 WeakPolarHBondContact CB-SG 3.31Å; C57-C89 WeakPolarHBondContact SG-CB 3.43Å; C57-C89 CovalentContact SG-SG 2.04Å; C57-C89 PolarHBondContact SG-SG 3.25Å; C57-T90 HydrophobicContact CB-CG2 4.02Å; C57-K93 VanDerWaalsContact SG-CG 3.53Å |
| 58 | G | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73.6 | -33.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | V54 E55 V56 D60 F61 K62 Y109 | V54-G58 PolarHBondContact O-N 3.26Å; E55-G58 PolarHBondContact O-N 3.47Å; E55-G58 VanDerWaalsContact O-N 3.1Å; V56-G58 PolarHBondContact O-N 2.91Å; G58-D60 VanDerWaalsContact C-N 3.32Å; G58-F61 PolarHBondContact O-N 3.1Å; G58-K62 VanDerWaalsContact O-CG 3.29Å; G58-K62 WeakPolarHBondContact O-CG 3.34Å; G58-K62 PolarHBondContact O-N 3.31Å; G58-Y109 WeakPolarHBondContact CA-OH 3.4Å |
| 59 | E | 97.8 | Very high | 96.7 | Very high | 79 Ų | 79 | 63.7 Ų | 63.7 | 37% | 0.369 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.7 | -37.2 | 172.7 | -72.2 | -55.6 | 129 | 0 | 0 | 111.8 | E55 V56 K62 K63 | E55-E59 PolarHBondContact O-N 2.04Å; V56-E59 PolarHBondContact O-N 3.36Å; E59-K62 PolarHBondContact O-N 3.4Å; E59-K62 IonicContact OE1-NZ 2.68Å; E59-K62 PolarHBondContact OE1-NZ 3.2Å; E59-K63 WeakPolarHBondContact O-CG 3.29Å; E59-K63 PolarHBondContact O-N 2.89Å |
| 60 | D | 97.8 | Very high | 96.6 | Very high | 66 Ų | 66 | 60.9 Ų | 60.9 | 35% | 0.353 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.6 | -44.9 | 173.3 | -68.4 | -23.4 | 0 | 0 | 0 | 110.9 | V56 G58 K62 K63 D64 | V56-D60 PolarHBondContact O-N 3.21Å; V56-D60 VanDerWaalsContact O-N 3.08Å; G58-D60 VanDerWaalsContact C-N 3.32Å; D60-K62 VanDerWaalsContact C-N 3.28Å; D60-K62 PolarHBondContact O-N 2.95Å; D60-K63 WeakPolarHBondContact O-CB 3.38Å; D60-K63 PolarHBondContact O-N 3.25Å; D60-K63 IonicContact OD1-NZ 2.81Å; D60-K63 PolarHBondContact OD1-NZ 2.94Å; D60-D64 PolarHBondContact O-N 3.37Å |
| 61 | F | 97.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.009 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -55.7 | -40.3 | 172.8 | 179.5 | -107.6 | 0 | 0 | 0 | 113.1 | C57 G58 K63 D64 M65 E82 Y83 F86 I113 F117 F118 | C57-F61 WeakPolarHBondContact O-CB 3.05Å; C57-F61 PolarHBondContact O-N 2.89Å; G58-F61 PolarHBondContact O-N 3.1Å; F61-K63 VanDerWaalsContact C-N 3.32Å; F61-K63 PolarHBondContact O-N 3.43Å; F61-D64 PolarHBondContact O-N 3.38Å; F61-M65 HydrophobicContact CD1-CG 4.08Å; F61-M65 HydrophobicContact CD2-CG 4.08Å; F61-M65 HydrophobicContact CE1-CG 3.57Å; F61-M65 HydrophobicContact CE1-SD 4.44Å; F61-M65 HydrophobicContact CE2-CG 3.59Å; F61-M65 HydrophobicContact CE2-SD 3.9Å; F61-M65 HydrophobicContact CG-CG 4.32Å; F61-M65 HydrophobicContact CZ-CG 3.33Å; F61-M65 HydrophobicContact CZ-SD 3.67Å; F61-M65 WeakPolarHBondContact O-CB 3.32Å; F61-M65 VanDerWaalsContact O-CG 3.3Å; F61-M65 WeakPolarHBondContact O-CG 3.39Å; F61-M65 PolarHBondContact O-N 2.9Å; F61-E82 HydrophobicContact CD2-CB 4.34Å; F61-E82 HydrophobicContact CE2-CB 4.09Å; F61-Y83 HydrophobicContact CE2-CD2 4.23Å; F61-Y83 HydrophobicContact CZ-CD2 4.12Å; F61-F86 HydrophobicContact CB-CB 3.98Å; F61-F86 HydrophobicContact CB-CD2 3.86Å; F61-F86 HydrophobicContact CB-CG 4.06Å; F61-F86 HydrophobicContact CD2-CB 3.56Å; F61-F86 HydrophobicContact CD2-CG 4.09Å; F61-F86 HydrophobicContact CE2-CB 4.3Å; F61-F86 HydrophobicContact CG-CB 3.91Å; F61-F86 HydrophobicContact CG-CD2 4.25Å; F61-F86 HydrophobicContact CG-CG 4.01Å; F61-I113 HydrophobicContact CD1-CD1 4.27Å; F61-I113 HydrophobicContact CD1-CG2 3.73Å; F61-I113 HydrophobicContact CE1-CG2 3.34Å; F61-I113 HydrophobicContact CZ-CG2 4.23Å; F61-F117 HydrophobicContact CD1-CD2 4.4Å; F61-F117 AromaticContact CD1-CE2 3.95Å; F61-F117 HydrophobicContact CD1-CE2 3.95Å; F61-F117 AromaticContact CE1-CD2 3.73Å; F61-F117 HydrophobicContact CE1-CD2 3.73Å; F61-F117 AromaticContact CE1-CE2 3.71Å; F61-F117 HydrophobicContact CE1-CE2 3.71Å; F61-F117 HydrophobicContact CE1-CG 4.49Å; F61-F117 HydrophobicContact CE1-CZ 4.49Å; F61-F118 HydrophobicContact CZ-CZ 4.42Å |
| 62 | K | 97.1 | Very high | 96.3 | Very high | 67 Ų | 67 | 63.8 Ų | 63.8 | 29% | 0.291 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 176.1 | -73.7 | 170 | -172.2 | 172.5 | 0 | 112.4 | G58 E59 D60 A66 F117 | G58-K62 VanDerWaalsContact O-CG 3.29Å; G58-K62 WeakPolarHBondContact O-CG 3.34Å; G58-K62 PolarHBondContact O-N 3.31Å; E59-K62 PolarHBondContact O-N 3.4Å; E59-K62 IonicContact OE1-NZ 2.68Å; E59-K62 PolarHBondContact OE1-NZ 3.2Å; D60-K62 VanDerWaalsContact C-N 3.28Å; D60-K62 PolarHBondContact O-N 2.95Å; K62-A66 PolarHBondContact O-N 2.88Å; K62-F117 HydrophobicContact CB-CZ 4.31Å; K62-F117 HydrophobicContact CG-CE2 4Å; K62-F117 HydrophobicContact CG-CZ 3.84Å |
| 63 | K | 97.1 | Very high | 96.1 | Very high | 116 Ų | 116 | 59.5 Ų | 59.5 | 50% | 0.504 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.5 | -41.9 | 175.6 | -65 | 168.3 | -158.3 | 152.2 | 0 | 110.8 | E59 D60 F61 A66 H67 | E59-K63 WeakPolarHBondContact O-CG 3.29Å; E59-K63 PolarHBondContact O-N 2.89Å; D60-K63 WeakPolarHBondContact O-CB 3.38Å; D60-K63 PolarHBondContact O-N 3.25Å; D60-K63 IonicContact OD1-NZ 2.81Å; D60-K63 PolarHBondContact OD1-NZ 2.94Å; F61-K63 VanDerWaalsContact C-N 3.32Å; F61-K63 PolarHBondContact O-N 3.43Å; K63-A66 VanDerWaalsContact O-CB 3.25Å; K63-A66 WeakPolarHBondContact O-CB 3.3Å; K63-A66 PolarHBondContact O-N 3.5Å; K63-A66 VanDerWaalsContact O-N 3.14Å; K63-H67 PolarHBondContact O-CE1 2.85Å; K63-H67 PolarHBondContact O-ND1 2.93Å |
| 64 | D | 95.7 | Very high | 95.9 | Very high | 50 Ų | 50 | 62.8 Ų | 62.8 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 179.4 | -66.1 | -21.2 | 0 | 0 | 0 | 110.5 | D60 F61 A66 H67 E82 | D60-D64 PolarHBondContact O-N 3.37Å; F61-D64 PolarHBondContact O-N 3.38Å; D64-A66 PolarHBondContact O-N 3.36Å; D64-A66 VanDerWaalsContact O-N 3.17Å; D64-H67 WeakPolarHBondContact O-CB 3.45Å; D64-H67 PolarHBondContact O-N 2.93Å; D64-H67 PolarHBondContact O-ND1 3.11Å; D64-H67 VanDerWaalsContact O-ND1 3.16Å; D64-E82 HydrophobicContact CB-CB 4.16Å; D64-E82 HydrophobicContact CB-CG 4.11Å; D64-E82 WeakPolarHBondContact CB-OE2 3.25Å |
| 65 | M | 95.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.4 | -19.8 | 174.1 | -75.2 | -62.7 | -65.7 | 0 | 0 | 114.2 | F61 H67 V68 W73 F79 E82 F117 F118 | F61-M65 HydrophobicContact CD1-CG 4.08Å; F61-M65 HydrophobicContact CD2-CG 4.08Å; F61-M65 HydrophobicContact CE1-CG 3.57Å; F61-M65 HydrophobicContact CE1-SD 4.44Å; F61-M65 HydrophobicContact CE2-CG 3.59Å; F61-M65 HydrophobicContact CE2-SD 3.9Å; F61-M65 HydrophobicContact CG-CG 4.32Å; F61-M65 HydrophobicContact CZ-CG 3.33Å; F61-M65 HydrophobicContact CZ-SD 3.67Å; F61-M65 WeakPolarHBondContact O-CB 3.32Å; F61-M65 VanDerWaalsContact O-CG 3.3Å; F61-M65 WeakPolarHBondContact O-CG 3.39Å; F61-M65 PolarHBondContact O-N 2.9Å; M65-H67 PolarHBondContact O-N 3.44Å; M65-V68 HydrophobicContact CE-CB 4.44Å; M65-V68 PolarHBondContact O-N 3.38Å; M65-V68 VanDerWaalsContact O-O 3.1Å; M65-V68 HydrophobicContact SD-CB 4.49Å; M65-V68 HydrophobicContact SD-CG2 4.25Å; M65-W73 VanDerWaalsContact CE-CD1 3.42Å; M65-W73 HydrophobicContact CE-CG 4.03Å; M65-F79 HydrophobicContact CE-CB 4.16Å; M65-F79 HydrophobicContact SD-CB 3.79Å; M65-E82 HydrophobicContact SD-CB 4.43Å; M65-F117 HydrophobicContact CB-CD1 4.37Å; M65-F117 HydrophobicContact CB-CE1 3.75Å; M65-F117 HydrophobicContact CB-CZ 3.98Å; M65-F117 HydrophobicContact CE-CD1 4.04Å; M65-F117 HydrophobicContact CE-CG 4.42Å; M65-F117 HydrophobicContact CG-CE1 4.23Å; M65-F117 HydrophobicContact CG-CZ 4.29Å; M65-F118 HydrophobicContact CE-CE1 4.23Å; M65-F118 HydrophobicContact CE-CZ 4.35Å |
| 66 | A | 94.3 | Very high | 95.5 | Very high | 83 Ų | 83 | 66.2 Ų | 66.2 | 69% | 0.686 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K62 K63 D64 | K62-A66 PolarHBondContact O-N 2.88Å; K63-A66 VanDerWaalsContact O-CB 3.25Å; K63-A66 WeakPolarHBondContact O-CB 3.3Å; K63-A66 PolarHBondContact O-N 3.5Å; K63-A66 VanDerWaalsContact O-N 3.14Å; D64-A66 PolarHBondContact O-N 3.36Å; D64-A66 VanDerWaalsContact O-N 3.17Å |
| 67 | H | 94.3 | Very high | 95.4 | Very high | 159 Ų | 159 | 69.7 Ų | 69.7 | 74% | 0.736 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -12.4 | 173.2 | -52.6 | 97.8 | 0 | 0 | 0 | 112.8 | K63 D64 M65 | K63-H67 PolarHBondContact O-CE1 2.85Å; K63-H67 PolarHBondContact O-ND1 2.93Å; D64-H67 WeakPolarHBondContact O-CB 3.45Å; D64-H67 PolarHBondContact O-N 2.93Å; D64-H67 PolarHBondContact O-ND1 3.11Å; D64-H67 VanDerWaalsContact O-ND1 3.16Å; M65-H67 PolarHBondContact O-N 3.44Å |
| 68 | V | 95.1 | Very high | 95.2 | Very high | 15 Ų | 15 | 75.9 Ų | 75.9 | 9% | 0.091 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -94.2 | 123.8 | 176.5 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | M65 Q72 W73 E82 | M65-V68 HydrophobicContact CE-CB 4.44Å; M65-V68 PolarHBondContact O-N 3.38Å; M65-V68 VanDerWaalsContact O-O 3.1Å; M65-V68 HydrophobicContact SD-CB 4.49Å; M65-V68 HydrophobicContact SD-CG2 4.25Å; V68-Q72 HydrophobicContact CG1-CB 4.39Å; V68-W73 PolarHBondContact O-NE1 3.31Å; V68-E82 HydrophobicContact CG2-CG 4.37Å |
| 69 | D | 94.4 | Very high | 95.1 | Very high | 88 Ų | 88 | 76.9 Ų | 76.9 | 47% | 0.471 | 40% | 0.398 | S | S | . | . | trans | -56.6 | 130.5 | 177.3 | -166.3 | -45.6 | 0 | 0 | 0 | 110.6 | E71 Q72 | D69-E71 PolarHBondContact O-N 3.12Å; D69-E71 VanDerWaalsContact O-N 3.11Å; D69-E71 PolarHBondContact OD1-N 3.14Å; D69-Q72 HydrophobicContact CB-CG 4.25Å; D69-Q72 WeakPolarHBondContact O-CA 3.38Å; D69-Q72 PolarHBondContact O-N 2.94Å | ||
| 70 | P | 93.2 | Very high | 95 | Very high | 84 Ų | 84 | 79 Ų | 79 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -51.5 | -30.3 | 175.6 | -28.1 | 35.5 | 0 | 0 | 0 | 115 | Q72 W73 | P70-Q72 PolarHBondContact O-N 3.06Å; P70-W73 HydrophobicContact CB-CD2 4.23Å; P70-W73 HydrophobicContact CB-CE3 4.44Å; P70-W73 HydrophobicContact CB-CH2 4.28Å; P70-W73 HydrophobicContact CB-CZ2 4.04Å; P70-W73 HydrophobicContact CB-CZ3 4.47Å; P70-W73 HydrophobicContact CG-CH2 4.42Å; P70-W73 HydrophobicContact CG-CZ2 3.95Å; P70-W73 PolarHBondContact O-N 3.44Å |
| 71 | E | 92.8 | Very high | 95 | Very high | 164 Ų | 164 | 79.4 Ų | 79.4 | 77% | 0.766 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -66 | -22.9 | 175.5 | -64.5 | -173.9 | 177.1 | 0 | 0 | 112.8 | D69 | D69-E71 PolarHBondContact O-N 3.12Å; D69-E71 VanDerWaalsContact O-N 3.11Å; D69-E71 PolarHBondContact OD1-N 3.14Å |
| 72 | Q | 94.5 | Very high | 95 | Very high | 56 Ų | 56 | 81.5 Ų | 81.5 | 26% | 0.262 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -98.5 | 1.5 | -178.4 | -58.5 | -56.4 | -46 | 0 | 0 | 113.7 | V68 D69 P70 C74 N75 Y78 | V68-Q72 HydrophobicContact CG1-CB 4.39Å; D69-Q72 HydrophobicContact CB-CG 4.25Å; D69-Q72 WeakPolarHBondContact O-CA 3.38Å; D69-Q72 PolarHBondContact O-N 2.94Å; P70-Q72 PolarHBondContact O-N 3.06Å; Q72-C74 PolarHBondContact O-N 2.95Å; Q72-C74 VanDerWaalsContact O-N 3.12Å; Q72-N75 PolarHBondContact O-N 3.01Å; Q72-Y78 HydrophobicContact CB-CD1 4.21Å; Q72-Y78 HydrophobicContact CB-CD2 4.12Å; Q72-Y78 HydrophobicContact CB-CG 3.84Å; Q72-Y78 HydrophobicContact CG-CD1 4.18Å; Q72-Y78 HydrophobicContact CG-CD2 4.35Å; Q72-Y78 HydrophobicContact CG-CE1 4.29Å; Q72-Y78 HydrophobicContact CG-CE2 4.44Å; Q72-Y78 HydrophobicContact CG-CG 4.2Å; Q72-Y78 VanDerWaalsContact OE1-CE2 3.24Å |
| 73 | W | 94.4 | Very high | 95 | Very high | 64 Ų | 64 | 80.7 Ų | 80.7 | 24% | 0.242 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.2 | -179.5 | -72.4 | -5.3 | 0 | 0 | 0 | 113.8 | M65 V68 P70 F79 F117 F118 | M65-W73 VanDerWaalsContact CE-CD1 3.42Å; M65-W73 HydrophobicContact CE-CG 4.03Å; V68-W73 PolarHBondContact O-NE1 3.31Å; P70-W73 HydrophobicContact CB-CD2 4.23Å; P70-W73 HydrophobicContact CB-CE3 4.44Å; P70-W73 HydrophobicContact CB-CH2 4.28Å; P70-W73 HydrophobicContact CB-CZ2 4.04Å; P70-W73 HydrophobicContact CB-CZ3 4.47Å; P70-W73 HydrophobicContact CG-CH2 4.42Å; P70-W73 HydrophobicContact CG-CZ2 3.95Å; P70-W73 PolarHBondContact O-N 3.44Å; W73-F79 WeakPolarHBondContact O-CD1 3.04Å; W73-F79 WeakPolarHBondContact O-CE1 3.33Å; W73-F117 HydrophobicContact CD2-CD1 4.18Å; W73-F117 AromaticContact CE2-CD1 3.89Å; W73-F117 HydrophobicContact CE3-CD1 4.31Å; W73-F117 AromaticContact CH2-CD1 3.91Å; W73-F117 HydrophobicContact CH2-CD1 3.91Å; W73-F117 HydrophobicContact CH2-CE1 4.29Å; W73-F117 AromaticContact CZ2-CD1 3.76Å; W73-F117 HydrophobicContact CZ2-CD1 3.76Å; W73-F117 HydrophobicContact CZ2-CE1 4.01Å; W73-F117 HydrophobicContact CZ3-CD1 4.18Å; W73-F118 HydrophobicContact CB-CD1 4.3Å; W73-F118 HydrophobicContact CB-CE1 4.32Å; W73-F118 VanDerWaalsContact O-CD1 3.24Å; W73-F118 WeakPolarHBondContact O-CD1 3.47Å; W73-F118 VanDerWaalsContact O-CE1 3.23Å; W73-F118 WeakPolarHBondContact O-CE1 3.37Å |
| 74 | C | 94 | Very high | 95 | Very high | 79 Ų | 79 | 80.5 Ų | 80.5 | 53% | 0.534 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -1.5 | 177.1 | -54.5 | 0 | 0 | 0 | 0 | 114 | Q72 C121 | Q72-C74 PolarHBondContact O-N 2.95Å; Q72-C74 VanDerWaalsContact O-N 3.12Å; C74-C121 WeakPolarHBondContact CA-SG 3.45Å; C74-C121 HydrophobicContact CB-CB 3.73Å; C74-C121 WeakPolarHBondContact CB-SG 3.35Å; C74-C121 WeakPolarHBondContact SG-CA 3.47Å; C74-C121 WeakPolarHBondContact SG-CB 3.35Å; C74-C121 CovalentContact SG-SG 2.04Å; C74-C121 PolarHBondContact SG-SG 3.34Å |
| 75 | N | 93.8 | Very high | 95.1 | Very high | 64 Ų | 64 | 82 Ų | 82 | 34% | 0.342 | 43% | 0.432 | S | S | . | . | trans | -101.9 | 107.6 | 177.5 | -172.4 | -25.7 | 0 | 0 | 0 | 110.1 | Q72 T77 Y78 F79 | Q72-N75 PolarHBondContact O-N 3.01Å; N75-T77 PolarHBondContact O-N 2.79Å; N75-T77 WeakPolarHBondContact OD1-CB 3.28Å; N75-T77 PolarHBondContact OD1-N 3.44Å; N75-T77 VanDerWaalsContact OD1-N 3.14Å; N75-T77 PolarHBondContact OD1-OG1 3.39Å; N75-Y78 HydrophobicContact CB-CD2 3.76Å; N75-Y78 HydrophobicContact CB-CE2 4.34Å; N75-Y78 WeakPolarHBondContact ND2-CE2 3.4Å; N75-Y78 PolarHBondContact O-N 2.85Å; N75-F79 VanDerWaalsContact O-CD1 3.31Å; N75-F79 WeakPolarHBondContact O-CD1 3.2Å | ||
| 76 | L | 92.5 | Very high | 95.2 | Very high | 105 Ų | 105 | 82.2 Ų | 82.2 | 55% | 0.55 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -50.5 | -37.7 | -177 | -176.6 | 62.3 | 0 | 0 | 0 | 112.7 | Y78 F79 M80 | L76-Y78 PolarHBondContact O-N 2.97Å; L76-Y78 VanDerWaalsContact O-N 3.14Å; L76-F79 HydrophobicContact CB-CE1 4.47Å; L76-F79 HydrophobicContact CD1-CE1 4.25Å; L76-F79 HydrophobicContact CD1-CE2 4.1Å; L76-F79 HydrophobicContact CD1-CZ 3.75Å; L76-F79 PolarHBondContact O-N 3.41Å; L76-M80 HydrophobicContact CD1-CB 4.22Å; L76-M80 HydrophobicContact CG-CB 4.36Å; L76-M80 WeakPolarHBondContact O-CB 3.41Å; L76-M80 PolarHBondContact O-N 2.93Å |
| 77 | T | 94.8 | Very high | 95.4 | Very high | 120 Ų | 120 | 79.6 Ų | 79.6 | 74% | 0.736 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.9 | -29.9 | -177.8 | -54.5 | 0 | 0 | 0 | 0 | 113.3 | N75 | N75-T77 PolarHBondContact O-N 2.79Å; N75-T77 WeakPolarHBondContact OD1-CB 3.28Å; N75-T77 PolarHBondContact OD1-N 3.44Å; N75-T77 VanDerWaalsContact OD1-N 3.14Å; N75-T77 PolarHBondContact OD1-OG1 3.39Å |
| 78 | Y | 94.9 | Very high | 95.6 | Very high | 131 Ų | 131 | 75.5 Ų | 75.5 | 51% | 0.514 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -86.2 | -27 | -174.5 | -74.4 | -92.5 | 0 | 0 | 0 | 113.9 | Q72 N75 L76 | Q72-Y78 HydrophobicContact CB-CD1 4.21Å; Q72-Y78 HydrophobicContact CB-CD2 4.12Å; Q72-Y78 HydrophobicContact CB-CG 3.84Å; Q72-Y78 HydrophobicContact CG-CD1 4.18Å; Q72-Y78 HydrophobicContact CG-CD2 4.35Å; Q72-Y78 HydrophobicContact CG-CE1 4.29Å; Q72-Y78 HydrophobicContact CG-CE2 4.44Å; Q72-Y78 HydrophobicContact CG-CG 4.2Å; Q72-Y78 VanDerWaalsContact OE1-CE2 3.24Å; N75-Y78 HydrophobicContact CB-CD2 3.76Å; N75-Y78 HydrophobicContact CB-CE2 4.34Å; N75-Y78 WeakPolarHBondContact ND2-CE2 3.4Å; N75-Y78 PolarHBondContact O-N 2.85Å; L76-Y78 PolarHBondContact O-N 2.97Å; L76-Y78 VanDerWaalsContact O-N 3.14Å |
| 79 | F | 95.3 | Very high | 95.8 | Very high | 21 Ų | 21 | 76.5 Ų | 76.5 | 9% | 0.092 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -116.9 | -4.6 | -176.6 | 77.2 | -94 | 0 | 0 | 0 | 114 | M65 W73 N75 L76 S81 E82 Y83 F118 | M65-F79 HydrophobicContact CE-CB 4.16Å; M65-F79 HydrophobicContact SD-CB 3.79Å; W73-F79 WeakPolarHBondContact O-CD1 3.04Å; W73-F79 WeakPolarHBondContact O-CE1 3.33Å; N75-F79 VanDerWaalsContact O-CD1 3.31Å; N75-F79 WeakPolarHBondContact O-CD1 3.2Å; L76-F79 HydrophobicContact CB-CE1 4.47Å; L76-F79 HydrophobicContact CD1-CE1 4.25Å; L76-F79 HydrophobicContact CD1-CE2 4.1Å; L76-F79 HydrophobicContact CD1-CZ 3.75Å; L76-F79 PolarHBondContact O-N 3.41Å; F79-S81 PolarHBondContact O-N 3.26Å; F79-E82 PolarHBondContact O-N 3.28Å; F79-E82 VanDerWaalsContact O-N 3.16Å; F79-Y83 HydrophobicContact CD2-CG 4.48Å; F79-Y83 HydrophobicContact CE2-CD2 4.36Å; F79-Y83 HydrophobicContact CE2-CG 4.35Å; F79-Y83 WeakPolarHBondContact O-CB 3.48Å; F79-Y83 PolarHBondContact O-N 3.33Å; F79-F118 HydrophobicContact CD1-CE1 4.09Å; F79-F118 HydrophobicContact CD1-CZ 4.46Å; F79-F118 HydrophobicContact CD2-CE1 4.06Å; F79-F118 AromaticContact CD2-CZ 3.6Å; F79-F118 HydrophobicContact CD2-CZ 3.6Å; F79-F118 AromaticContact CE1-CE1 3.96Å; F79-F118 HydrophobicContact CE1-CE1 3.96Å; F79-F118 HydrophobicContact CE1-CZ 4.34Å; F79-F118 AromaticContact CE2-CE1 3.97Å; F79-F118 HydrophobicContact CE2-CE1 3.97Å; F79-F118 HydrophobicContact CE2-CE2 4.07Å; F79-F118 AromaticContact CE2-CZ 3.5Å; F79-F118 HydrophobicContact CE2-CZ 3.5Å; F79-F118 HydrophobicContact CG-CE1 4.14Å; F79-F118 HydrophobicContact CG-CZ 4.11Å; F79-F118 AromaticContact CZ-CE1 3.92Å; F79-F118 HydrophobicContact CZ-CE1 3.92Å; F79-F118 HydrophobicContact CZ-CE2 4.47Å; F79-F118 AromaticContact CZ-CZ 3.9Å; F79-F118 HydrophobicContact CZ-CZ 3.9Å |
| 80 | M | 96.2 | Very high | 96 | Very high | 123 Ų | 123 | 72.3 Ų | 72.3 | 61% | 0.606 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -55.7 | -37.9 | -178.2 | 179.9 | 176.7 | -173.6 | 0 | 0 | 112.8 | L76 H84 | L76-M80 HydrophobicContact CD1-CB 4.22Å; L76-M80 HydrophobicContact CG-CB 4.36Å; L76-M80 WeakPolarHBondContact O-CB 3.41Å; L76-M80 PolarHBondContact O-N 2.93Å; M80-H84 VanDerWaalsContact O-CB 3.3Å; M80-H84 WeakPolarHBondContact O-CB 3.34Å; M80-H84 PolarHBondContact O-N 2.8Å |
| 81 | S | 96.8 | Very high | 96.2 | Very high | 76 Ų | 76 | 71.9 Ų | 71.9 | 53% | 0.531 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.5 | -50.7 | 176.9 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | F79 Y83 H84 L85 | F79-S81 PolarHBondContact O-N 3.26Å; S81-Y83 VanDerWaalsContact C-N 3.32Å; S81-Y83 PolarHBondContact O-N 3.45Å; S81-H84 WeakPolarHBondContact O-CB 3.06Å; S81-H84 PolarHBondContact O-N 3.27Å; S81-L85 WeakPolarHBondContact O-CG 3.36Å; S81-L85 PolarHBondContact O-N 3.38Å |
| 82 | E | 97.3 | Very high | 96.4 | Very high | 45 Ų | 45 | 68 Ų | 68 | 21% | 0.21 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.7 | -38.8 | -179.6 | -50 | -46.3 | 151.2 | 0 | 0 | 111.8 | F61 D64 M65 V68 F79 H84 L85 F86 | F61-E82 HydrophobicContact CD2-CB 4.34Å; F61-E82 HydrophobicContact CE2-CB 4.09Å; D64-E82 HydrophobicContact CB-CB 4.16Å; D64-E82 HydrophobicContact CB-CG 4.11Å; D64-E82 WeakPolarHBondContact CB-OE2 3.25Å; M65-E82 HydrophobicContact SD-CB 4.43Å; V68-E82 HydrophobicContact CG2-CG 4.37Å; F79-E82 PolarHBondContact O-N 3.28Å; F79-E82 VanDerWaalsContact O-N 3.16Å; E82-H84 VanDerWaalsContact C-N 3.34Å; E82-H84 PolarHBondContact O-N 3.07Å; E82-L85 PolarHBondContact O-N 2.91Å; E82-F86 PolarHBondContact O-N 2.92Å |
| 83 | Y | 97.4 | Very high | 96.5 | Very high | 50 Ų | 50 | 68.2 Ų | 68.2 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67 | -37.2 | 175.8 | -165.3 | -93.1 | 0 | 0 | 0 | 112 | F61 F79 S81 F86 T87 I110 H114 F118 | F61-Y83 HydrophobicContact CE2-CD2 4.23Å; F61-Y83 HydrophobicContact CZ-CD2 4.12Å; F79-Y83 HydrophobicContact CD2-CG 4.48Å; F79-Y83 HydrophobicContact CE2-CD2 4.36Å; F79-Y83 HydrophobicContact CE2-CG 4.35Å; F79-Y83 WeakPolarHBondContact O-CB 3.48Å; F79-Y83 PolarHBondContact O-N 3.33Å; S81-Y83 VanDerWaalsContact C-N 3.32Å; S81-Y83 PolarHBondContact O-N 3.45Å; Y83-F86 HydrophobicContact CD2-CD1 4.29Å; Y83-F86 HydrophobicContact CE2-CD1 4.18Å; Y83-F86 HydrophobicContact CE2-CE1 4.44Å; Y83-F86 WeakPolarHBondContact O-CB 3.41Å; Y83-F86 PolarHBondContact O-N 3.37Å; Y83-T87 HydrophobicContact CD1-CG2 3.92Å; Y83-T87 HydrophobicContact CE1-CG2 3.58Å; Y83-T87 WeakPolarHBondContact O-CG2 3.45Å; Y83-T87 PolarHBondContact O-N 3.07Å; Y83-T87 PolarHBondContact O-OG1 2.93Å; Y83-I110 WeakPolarHBondContact OH-CG2 3.44Å; Y83-H114 AromaticContact CE2-NE2 3.61Å; Y83-H114 AromaticContact CZ-NE2 3.53Å; Y83-H114 PolarHBondContact OH-NE2 3.24Å; Y83-F118 HydrophobicContact CD2-CE2 4.48Å |
| 84 | H | 98.1 | Very high | 96.6 | Very high | 112 Ų | 112 | 65.1 Ų | 65.1 | 52% | 0.519 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 173.3 | 177.2 | 58.3 | 0 | 0 | 0 | 111.2 | M80 S81 E82 F86 T87 L88 | M80-H84 VanDerWaalsContact O-CB 3.3Å; M80-H84 WeakPolarHBondContact O-CB 3.34Å; M80-H84 PolarHBondContact O-N 2.8Å; S81-H84 WeakPolarHBondContact O-CB 3.06Å; S81-H84 PolarHBondContact O-N 3.27Å; E82-H84 VanDerWaalsContact C-N 3.34Å; E82-H84 PolarHBondContact O-N 3.07Å; H84-F86 VanDerWaalsContact C-N 3.32Å; H84-F86 PolarHBondContact O-N 3.44Å; H84-T87 PolarHBondContact O-N 3.35Å; H84-T87 PolarHBondContact O-OG1 3.14Å; H84-L88 WeakPolarHBondContact O-CB 3.28Å; H84-L88 PolarHBondContact O-N 3.01Å |
| 85 | L | 98 | Very high | 96.6 | Very high | 83 Ų | 83 | 66.3 Ų | 66.3 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 175.6 | -67.1 | 176.8 | 0 | 0 | 0 | 112.1 | S81 E82 L88 C89 | S81-L85 WeakPolarHBondContact O-CG 3.36Å; S81-L85 PolarHBondContact O-N 3.38Å; E82-L85 PolarHBondContact O-N 2.91Å; L85-L88 PolarHBondContact O-N 3.1Å; L85-C89 WeakPolarHBondContact O-CB 3.27Å; L85-C89 PolarHBondContact O-N 3Å |
| 86 | F | 98.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 66.8 Ų | 66.8 | 2% | 0.022 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 174.3 | 168.3 | -116.9 | 0 | 0 | 0 | 112.3 | C57 F61 E82 Y83 H84 L88 C89 T90 Y109 I110 I113 | C57-F86 HydrophobicContact CB-CD2 4.24Å; C57-F86 HydrophobicContact CB-CE2 4.35Å; F61-F86 HydrophobicContact CB-CB 3.98Å; F61-F86 HydrophobicContact CB-CD2 3.86Å; F61-F86 HydrophobicContact CB-CG 4.06Å; F61-F86 HydrophobicContact CD2-CB 3.56Å; F61-F86 HydrophobicContact CD2-CG 4.09Å; F61-F86 HydrophobicContact CE2-CB 4.3Å; F61-F86 HydrophobicContact CG-CB 3.91Å; F61-F86 HydrophobicContact CG-CD2 4.25Å; F61-F86 HydrophobicContact CG-CG 4.01Å; E82-F86 PolarHBondContact O-N 2.92Å; Y83-F86 HydrophobicContact CD2-CD1 4.29Å; Y83-F86 HydrophobicContact CE2-CD1 4.18Å; Y83-F86 HydrophobicContact CE2-CE1 4.44Å; Y83-F86 WeakPolarHBondContact O-CB 3.41Å; Y83-F86 PolarHBondContact O-N 3.37Å; H84-F86 VanDerWaalsContact C-N 3.32Å; H84-F86 PolarHBondContact O-N 3.44Å; F86-L88 PolarHBondContact O-N 3.26Å; F86-C89 WeakPolarHBondContact O-CB 3.44Å; F86-C89 PolarHBondContact O-N 2.91Å; F86-T90 HydrophobicContact CD2-CG2 4.15Å; F86-T90 HydrophobicContact CE2-CG2 3.69Å; F86-T90 HydrophobicContact CZ-CG2 4.02Å; F86-T90 WeakPolarHBondContact O-CG2 3.24Å; F86-T90 PolarHBondContact O-N 2.98Å; F86-Y109 HydrophobicContact CE2-CD1 4.26Å; F86-Y109 HydrophobicContact CE2-CE1 4.09Å; F86-Y109 HydrophobicContact CZ-CD1 4.03Å; F86-Y109 HydrophobicContact CZ-CE1 4.23Å; F86-I110 HydrophobicContact CE1-CG1 3.92Å; F86-I110 HydrophobicContact CZ-CG1 4.1Å; F86-I113 HydrophobicContact CE1-CG1 4.46Å; F86-I113 HydrophobicContact CZ-CG1 4Å |
| 87 | T | 98.1 | Very high | 96.7 | Very high | 27 Ų | 27 | 62.5 Ų | 62.5 | 17% | 0.166 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 179.1 | 55.6 | 0 | 0 | 0 | 0 | 112 | Y83 H84 C89 T90 E91 | Y83-T87 HydrophobicContact CD1-CG2 3.92Å; Y83-T87 HydrophobicContact CE1-CG2 3.58Å; Y83-T87 WeakPolarHBondContact O-CG2 3.45Å; Y83-T87 PolarHBondContact O-N 3.07Å; Y83-T87 PolarHBondContact O-OG1 2.93Å; H84-T87 PolarHBondContact O-N 3.35Å; H84-T87 PolarHBondContact O-OG1 3.14Å; T87-C89 VanDerWaalsContact C-N 3.32Å; T87-C89 PolarHBondContact O-N 2.96Å; T87-T90 PolarHBondContact O-N 3.46Å; T87-T90 VanDerWaalsContact O-N 3.17Å; T87-T90 PolarHBondContact O-OG1 3.06Å; T87-E91 WeakPolarHBondContact O-CB 3.42Å; T87-E91 PolarHBondContact O-N 3.38Å |
| 88 | L | 98.4 | Very high | 96.6 | Very high | 74 Ų | 74 | 60.7 Ų | 60.7 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 176.1 | -176.5 | 67.5 | 0 | 0 | 0 | 112.1 | H84 L85 F86 T92 | H84-L88 WeakPolarHBondContact O-CB 3.28Å; H84-L88 PolarHBondContact O-N 3.01Å; L85-L88 PolarHBondContact O-N 3.1Å; F86-L88 PolarHBondContact O-N 3.26Å; L88-T92 VanDerWaalsContact O-CB 3.31Å; L88-T92 WeakPolarHBondContact O-CB 3.48Å; L88-T92 PolarHBondContact O-N 3.42Å; L88-T92 PolarHBondContact O-OG1 3.48Å |
| 89 | C | 98.4 | Very high | 96.5 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -51.4 | 173.3 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | C57 L85 F86 T87 E91 T92 K93 | C57-C89 VanDerWaalsContact CA-SG 3.53Å; C57-C89 HydrophobicContact CB-CB 3.75Å; C57-C89 WeakPolarHBondContact CB-SG 3.31Å; C57-C89 WeakPolarHBondContact SG-CB 3.43Å; C57-C89 CovalentContact SG-SG 2.04Å; C57-C89 PolarHBondContact SG-SG 3.25Å; L85-C89 WeakPolarHBondContact O-CB 3.27Å; L85-C89 PolarHBondContact O-N 3Å; F86-C89 WeakPolarHBondContact O-CB 3.44Å; F86-C89 PolarHBondContact O-N 2.91Å; T87-C89 VanDerWaalsContact C-N 3.32Å; T87-C89 PolarHBondContact O-N 2.96Å; C89-E91 VanDerWaalsContact C-N 3.31Å; C89-E91 PolarHBondContact O-N 3.15Å; C89-T92 PolarHBondContact O-N 2.9Å; C89-K93 VanDerWaalsContact O-CB 3.3Å; C89-K93 WeakPolarHBondContact O-CB 3.12Å; C89-K93 VanDerWaalsContact O-CG 3.24Å; C89-K93 WeakPolarHBondContact O-CG 3.42Å; C89-K93 PolarHBondContact O-N 2.72Å |
| 90 | T | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.2 | -36 | -179 | 64.5 | 0 | 0 | 0 | 0 | 113.1 | V54 C57 F86 T87 S94 W101 | V54-T90 HydrophobicContact CG1-CG2 4.39Å; C57-T90 HydrophobicContact CB-CG2 4.02Å; F86-T90 HydrophobicContact CD2-CG2 4.15Å; F86-T90 HydrophobicContact CE2-CG2 3.69Å; F86-T90 HydrophobicContact CZ-CG2 4.02Å; F86-T90 WeakPolarHBondContact O-CG2 3.24Å; F86-T90 PolarHBondContact O-N 2.98Å; T87-T90 PolarHBondContact O-N 3.46Å; T87-T90 VanDerWaalsContact O-N 3.17Å; T87-T90 PolarHBondContact O-OG1 3.06Å; T90-S94 VanDerWaalsContact O-CB 3.3Å; T90-S94 WeakPolarHBondContact O-CB 3.34Å; T90-S94 PolarHBondContact O-N 3.07Å; T90-S94 PolarHBondContact O-OG 3.44Å; T90-W101 PolarHBondContact OG1-NE1 3.1Å |
| 91 | E | 98.2 | Very high | 96.4 | Very high | 74 Ų | 74 | 59.3 Ų | 59.3 | 35% | 0.346 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.9 | -54.6 | 174 | -178.5 | 179.5 | -167.5 | 0 | 0 | 110.6 | T87 C89 K93 S94 H95 W101 | T87-E91 WeakPolarHBondContact O-CB 3.42Å; T87-E91 PolarHBondContact O-N 3.38Å; C89-E91 VanDerWaalsContact C-N 3.31Å; C89-E91 PolarHBondContact O-N 3.15Å; E91-K93 VanDerWaalsContact C-N 3.3Å; E91-K93 PolarHBondContact O-N 3.42Å; E91-S94 WeakPolarHBondContact O-CB 3.41Å; E91-S94 PolarHBondContact O-N 3.28Å; E91-S94 VanDerWaalsContact O-N 3.16Å; E91-H95 PolarHBondContact O-CD2 2.96Å; E91-H95 PolarHBondContact O-N 3.3Å; E91-W101 VanDerWaalsContact CA-CD1 3.42Å; E91-W101 HydrophobicContact CB-CD2 3.95Å; E91-W101 HydrophobicContact CB-CE3 4.49Å; E91-W101 HydrophobicContact CB-CG 3.99Å; E91-W101 HydrophobicContact CG-CB 4.36Å; E91-W101 HydrophobicContact CG-CD2 4.12Å; E91-W101 HydrophobicContact CG-CE3 4.29Å; E91-W101 HydrophobicContact CG-CG 4.16Å |
| 92 | T | 97.9 | Very high | 96.3 | Very high | 82 Ų | 82 | 59 Ų | 59 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 179.5 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | L88 C89 H95 S96 | L88-T92 VanDerWaalsContact O-CB 3.31Å; L88-T92 WeakPolarHBondContact O-CB 3.48Å; L88-T92 PolarHBondContact O-N 3.42Å; L88-T92 PolarHBondContact O-OG1 3.48Å; C89-T92 PolarHBondContact O-N 2.9Å; T92-H95 PolarHBondContact O-N 3.22Å; T92-S96 WeakPolarHBondContact O-CB 3.23Å; T92-S96 PolarHBondContact O-N 3.37Å |
| 93 | K | 96.8 | Very high | 96.2 | Very high | 61 Ų | 61 | 57.9 Ų | 57.9 | 27% | 0.265 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 177.6 | -73.7 | -51.2 | -168.2 | 158.4 | 0 | 112.3 | E53 C57 C89 E91 H95 S96 V97 | E53-K93 HydrophobicContact CB-CB 3.83Å; E53-K93 HydrophobicContact CB-CD 4.07Å; E53-K93 HydrophobicContact CB-CG 3.99Å; E53-K93 HydrophobicContact CG-CD 4.47Å; E53-K93 VanDerWaalsContact OE2-CD 3.29Å; E53-K93 WeakPolarHBondContact OE2-CD 2.99Å; E53-K93 VanDerWaalsContact OE2-CE 3.28Å; E53-K93 WeakPolarHBondContact OE2-CE 3.31Å; E53-K93 IonicContact OE2-NZ 2.71Å; E53-K93 PolarHBondContact OE2-NZ 3.23Å; C57-K93 VanDerWaalsContact SG-CG 3.53Å; C89-K93 VanDerWaalsContact O-CB 3.3Å; C89-K93 WeakPolarHBondContact O-CB 3.12Å; C89-K93 VanDerWaalsContact O-CG 3.24Å; C89-K93 WeakPolarHBondContact O-CG 3.42Å; C89-K93 PolarHBondContact O-N 2.72Å; E91-K93 VanDerWaalsContact C-N 3.3Å; E91-K93 PolarHBondContact O-N 3.42Å; K93-H95 VanDerWaalsContact C-N 3.35Å; K93-H95 PolarHBondContact O-N 3.16Å; K93-S96 WeakPolarHBondContact CA-OG 3.21Å; K93-S96 PolarHBondContact O-N 3.17Å; K93-S96 VanDerWaalsContact O-N 3.15Å; K93-S96 PolarHBondContact O-OG 2.86Å; K93-V97 WeakPolarHBondContact O-CG2 3.4Å; K93-V97 PolarHBondContact O-N 3.3Å |
| 94 | S | 96 | Very high | 96.1 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.5 | -48 | 175.9 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | T90 E91 S96 V97 D98 C99 | T90-S94 VanDerWaalsContact O-CB 3.3Å; T90-S94 WeakPolarHBondContact O-CB 3.34Å; T90-S94 PolarHBondContact O-N 3.07Å; T90-S94 PolarHBondContact O-OG 3.44Å; E91-S94 WeakPolarHBondContact O-CB 3.41Å; E91-S94 PolarHBondContact O-N 3.28Å; E91-S94 VanDerWaalsContact O-N 3.16Å; S94-S96 VanDerWaalsContact C-N 3.32Å; S94-S96 PolarHBondContact O-N 3.14Å; S94-V97 WeakPolarHBondContact O-CG2 3.45Å; S94-V97 PolarHBondContact O-N 2.92Å; S94-D98 PolarHBondContact O-N 3.23Å; S94-C99 CarbonylContact C-O 3.22Å; S94-C99 PolarHBondContact O-N 3Å |
| 95 | H | 94.4 | Very high | 96 | Very high | 104 Ų | 104 | 56.5 Ų | 56.5 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 175.6 | -76.7 | -66.7 | 0 | 0 | 0 | 112.9 | E91 T92 K93 V97 D98 | E91-H95 PolarHBondContact O-CD2 2.96Å; E91-H95 PolarHBondContact O-N 3.3Å; T92-H95 PolarHBondContact O-N 3.22Å; K93-H95 VanDerWaalsContact C-N 3.35Å; K93-H95 PolarHBondContact O-N 3.16Å; H95-V97 VanDerWaalsContact C-N 3.25Å; H95-V97 PolarHBondContact O-N 3.16Å; H95-D98 PolarHBondContact O-N 3.24Å; H95-D98 VanDerWaalsContact O-N 3.14Å |
| 96 | S | 93.9 | Very high | 96 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 52% | 0.517 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.7 | -25 | -179.9 | 78.4 | 0 | 0 | 0 | 0 | 114.3 | T92 K93 S94 | T92-S96 WeakPolarHBondContact O-CB 3.23Å; T92-S96 PolarHBondContact O-N 3.37Å; K93-S96 WeakPolarHBondContact CA-OG 3.21Å; K93-S96 PolarHBondContact O-N 3.17Å; K93-S96 VanDerWaalsContact O-N 3.15Å; K93-S96 PolarHBondContact O-OG 2.86Å; S94-S96 VanDerWaalsContact C-N 3.32Å; S94-S96 PolarHBondContact O-N 3.14Å |
| 97 | V | 93.7 | Very high | 96 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 18.1 | 176.4 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | R49 L50 E53 K93 S94 H95 C99 | R49-V97 HydrophobicContact CG-CG1 3.93Å; L50-V97 HydrophobicContact CB-CG2 4.09Å; L50-V97 HydrophobicContact CD1-CG2 3.77Å; L50-V97 HydrophobicContact CG-CG2 4.5Å; E53-V97 HydrophobicContact CG-CG1 4.03Å; K93-V97 WeakPolarHBondContact O-CG2 3.4Å; K93-V97 PolarHBondContact O-N 3.3Å; S94-V97 WeakPolarHBondContact O-CG2 3.45Å; S94-V97 PolarHBondContact O-N 2.92Å; H95-V97 VanDerWaalsContact C-N 3.25Å; H95-V97 PolarHBondContact O-N 3.16Å; V97-C99 HydrophobicContact CG2-CB 4.06Å; V97-C99 WeakPolarHBondContact CG2-SG 3.39Å; V97-C99 PolarHBondContact O-N 3.42Å |
| 98 | D | 91.9 | Very high | 95.9 | Very high | 81 Ų | 81 | 60 Ų | 60 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 28.2 | 179.4 | -68.3 | -49 | 0 | 0 | 0 | 114.3 | R43 S94 H95 | R43-D98 HydrophobicContact CB-CB 4.07Å; R43-D98 VanDerWaalsContact CD-CB 3.5Å; R43-D98 WeakPolarHBondContact CD-OD1 3.21Å; R43-D98 WeakPolarHBondContact CD-OD2 3.46Å; R43-D98 HydrophobicContact CG-CB 4.39Å; R43-D98 IonicContact CZ-OD1 3.5Å; R43-D98 IonicContact CZ-OD2 3.91Å; R43-D98 IonicContact NE-OD1 3.76Å; R43-D98 IonicContact NH1-OD1 2.76Å; R43-D98 PolarHBondContact NH1-OD1 3.03Å; R43-D98 IonicContact NH1-OD2 2.95Å; R43-D98 PolarHBondContact NH1-OD2 3.18Å; S94-D98 PolarHBondContact O-N 3.23Å; H95-D98 PolarHBondContact O-N 3.24Å; H95-D98 VanDerWaalsContact O-N 3.14Å |
| 99 | C | 93.6 | Very high | 95.9 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.034 | 31% | 0.307 | C | S | . | . | trans | -100.3 | 143.7 | 174 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | C45 L50 S94 V97 | C45-C99 VanDerWaalsContact CA-SG 3.51Å; C45-C99 HydrophobicContact CB-CB 3.93Å; C45-C99 WeakPolarHBondContact CB-SG 3.33Å; C45-C99 WeakPolarHBondContact SG-CB 3.34Å; C45-C99 CovalentContact SG-SG 2.02Å; C45-C99 PolarHBondContact SG-SG 3.48Å; L50-C99 HydrophobicContact CD1-CB 4.47Å; L50-C99 HydrophobicContact CD2-CB 4.07Å; S94-C99 CarbonylContact C-O 3.22Å; S94-C99 PolarHBondContact O-N 3Å; V97-C99 HydrophobicContact CG2-CB 4.06Å; V97-C99 WeakPolarHBondContact CG2-SG 3.39Å; V97-C99 PolarHBondContact O-N 3.42Å | ||
| 100 | Y | 93.4 | Very high | 95.9 | Very high | 172 Ų | 172 | 58 Ų | 58 | 68% | 0.675 | 30% | 0.303 | S | S | * | . | trans | -70.8 | 149.1 | 171.6 | 173.9 | -102.9 | 0 | 0 | 0 | 110.8 | P102 N103 | Y100-P102 WeakPolarHBondContact CD1-O 3.16Å; Y100-P102 HydrophobicContact CE1-CG 4.48Å; Y100-P102 WeakPolarHBondContact CE1-O 3.38Å; Y100-N103 WeakPolarHBondContact O-CB 3.34Å; Y100-N103 PolarHBondContact O-ND2 3.21Å | ||
| 101 | W | 95.5 | Very high | 95.8 | Very high | 69 Ų | 69 | 61.8 Ų | 61.8 | 26% | 0.261 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -121.8 | 132.7 | 171.4 | -171.3 | 98 | 0 | 0 | 0 | 108.9 | T90 E91 | T90-W101 PolarHBondContact OG1-NE1 3.1Å; E91-W101 VanDerWaalsContact CA-CD1 3.42Å; E91-W101 HydrophobicContact CB-CD2 3.95Å; E91-W101 HydrophobicContact CB-CE3 4.49Å; E91-W101 HydrophobicContact CB-CG 3.99Å; E91-W101 HydrophobicContact CG-CB 4.36Å; E91-W101 HydrophobicContact CG-CD2 4.12Å; E91-W101 HydrophobicContact CG-CE3 4.29Å; E91-W101 HydrophobicContact CG-CG 4.16Å |
| 102 | P | 95.3 | Very high | 95.8 | Very high | 69 Ų | 69 | 63.3 Ų | 63.3 | 45% | 0.448 | 33% | 0.329 | S | S | . | . | S | Bend | cis | -74.9 | 161 | -3 | 31.8 | -36.1 | 0 | 0 | 0 | 112.9 | Y100 | Y100-P102 WeakPolarHBondContact CD1-O 3.16Å; Y100-P102 HydrophobicContact CE1-CG 4.48Å; Y100-P102 WeakPolarHBondContact CE1-O 3.38Å |
| 103 | N | 94.2 | Very high | 95.8 | Very high | 23 Ų | 23 | 59.4 Ų | 59.4 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | trans | -141.1 | 161.4 | 173.2 | 63.1 | 71.8 | 0 | 0 | 0 | 110.9 | Y100 L105 V106 E107 | Y100-N103 WeakPolarHBondContact O-CB 3.34Å; Y100-N103 PolarHBondContact O-ND2 3.21Å; N103-L105 PolarHBondContact O-N 2.93Å; N103-L105 VanDerWaalsContact O-N 3.16Å; N103-L105 WeakPolarHBondContact OD1-CB 3.48Å; N103-L105 PolarHBondContact OD1-N 2.9Å; N103-L105 VanDerWaalsContact OD1-N 3.17Å; N103-V106 VanDerWaalsContact ND2-CG2 3.32Å; N103-V106 WeakPolarHBondContact ND2-CG2 3.42Å; N103-V106 PolarHBondContact O-N 2.93Å; N103-V106 VanDerWaalsContact O-N 3.13Å; N103-V106 WeakPolarHBondContact OD1-CG2 3.38Å; N103-V106 PolarHBondContact OD1-N 3.43Å; N103-E107 WeakPolarHBondContact O-CB 3.48Å; N103-E107 PolarHBondContact O-N 2.95Å | ||
| 104 | P | 95.9 | Very high | 95.8 | Very high | 103 Ų | 103 | 60.1 Ų | 60.1 | 67% | 0.669 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.2 | -30.9 | -174.7 | -27 | 35.8 | 0 | 0 | 0 | 114.5 | S108 | P104-S108 WeakPolarHBondContact O-CB 3.25Å; P104-S108 PolarHBondContact O-N 3.33Å; P104-S108 PolarHBondContact O-OG 3.25Å |
| 105 | L | 96.5 | Very high | 95.8 | Very high | 29 Ų | 29 | 67.1 Ų | 67.1 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.5 | -49.7 | 177.2 | 179.5 | 162.1 | 0 | 0 | 0 | 110.4 | E47 L50 R51 V54 N103 S108 Y109 | E47-L105 HydrophobicContact CB-CD1 4.26Å; E47-L105 WeakPolarHBondContact O-CD1 3.34Å; L50-L105 HydrophobicContact CB-CD1 4.47Å; L50-L105 HydrophobicContact CD2-CB 4.39Å; L50-L105 HydrophobicContact CD2-CD1 4.28Å; L50-L105 HydrophobicContact CD2-CD2 4.13Å; L50-L105 HydrophobicContact CG-CD1 4.41Å; L50-L105 HydrophobicContact CG-CD2 3.98Å; R51-L105 HydrophobicContact CB-CD1 4.06Å; V54-L105 HydrophobicContact CB-CD2 4.39Å; V54-L105 HydrophobicContact CG2-CD2 4.1Å; N103-L105 PolarHBondContact O-N 2.93Å; N103-L105 VanDerWaalsContact O-N 3.16Å; N103-L105 WeakPolarHBondContact OD1-CB 3.48Å; N103-L105 PolarHBondContact OD1-N 2.9Å; N103-L105 VanDerWaalsContact OD1-N 3.17Å; L105-S108 PolarHBondContact O-N 3.5Å; L105-S108 PolarHBondContact O-OG 2.91Å; L105-Y109 PolarHBondContact O-N 3.34Å; L105-Y109 VanDerWaalsContact O-N 3.13Å |
| 106 | V | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 175.7 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | V54 N103 S108 Y109 I110 | V54-V106 HydrophobicContact CG2-CG2 3.68Å; N103-V106 VanDerWaalsContact ND2-CG2 3.32Å; N103-V106 WeakPolarHBondContact ND2-CG2 3.42Å; N103-V106 PolarHBondContact O-N 2.93Å; N103-V106 VanDerWaalsContact O-N 3.13Å; N103-V106 WeakPolarHBondContact OD1-CG2 3.38Å; N103-V106 PolarHBondContact OD1-N 3.43Å; V106-S108 PolarHBondContact O-N 3.41Å; V106-Y109 WeakPolarHBondContact O-CB 3.3Å; V106-Y109 PolarHBondContact O-N 2.68Å; V106-Y109 VanDerWaalsContact O-N 3.13Å; V106-I110 HydrophobicContact CG1-CD1 3.74Å; V106-I110 HydrophobicContact CG1-CG1 4.23Å; V106-I110 WeakPolarHBondContact O-CG1 3.5Å; V106-I110 PolarHBondContact O-N 3.27Å |
| 107 | E | 97.6 | Very high | 95.9 | Very high | 116 Ų | 116 | 64.5 Ų | 64.5 | 54% | 0.542 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.1 | -48.6 | 177 | -177.9 | -178.6 | -170.6 | 0 | 0 | 111.5 | N103 Y109 I110 I111 | N103-E107 WeakPolarHBondContact O-CB 3.48Å; N103-E107 PolarHBondContact O-N 2.95Å; E107-Y109 PolarHBondContact O-N 3.13Å; E107-I110 PolarHBondContact O-N 3.13Å; E107-I111 HydrophobicContact CG-CD1 4.13Å; E107-I111 WeakPolarHBondContact O-CG1 3.42Å; E107-I111 PolarHBondContact O-N 3.24Å |
| 108 | S | 97.8 | Very high | 96 | Very high | 72 Ų | 72 | 64.9 Ų | 64.9 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.1 | -35.2 | 177.7 | 75.3 | 0 | 0 | 0 | 0 | 112.6 | P104 L105 V106 H112 | P104-S108 WeakPolarHBondContact O-CB 3.25Å; P104-S108 PolarHBondContact O-N 3.33Å; P104-S108 PolarHBondContact O-OG 3.25Å; L105-S108 PolarHBondContact O-N 3.5Å; L105-S108 PolarHBondContact O-OG 2.91Å; V106-S108 PolarHBondContact O-N 3.41Å; S108-H112 PolarHBondContact O-N 3.45Å; S108-H112 VanDerWaalsContact O-N 3.1Å |
| 109 | Y | 97.4 | Very high | 96.1 | Very high | 40 Ų | 40 | 64.7 Ų | 64.7 | 16% | 0.157 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -73.4 | -42.3 | 178.1 | -166 | -93.4 | 0 | 0 | 0 | 112.1 | V54 G58 F86 L105 V106 E107 I111 H112 I113 | V54-Y109 HydrophobicContact CG1-CD1 3.37Å; V54-Y109 HydrophobicContact CG1-CD2 4.01Å; V54-Y109 HydrophobicContact CG1-CE1 3.95Å; V54-Y109 HydrophobicContact CG1-CG 3.4Å; V54-Y109 VanDerWaalsContact CG1-CG 3.4Å; G58-Y109 WeakPolarHBondContact CA-OH 3.4Å; F86-Y109 HydrophobicContact CE2-CD1 4.26Å; F86-Y109 HydrophobicContact CE2-CE1 4.09Å; F86-Y109 HydrophobicContact CZ-CD1 4.03Å; F86-Y109 HydrophobicContact CZ-CE1 4.23Å; L105-Y109 PolarHBondContact O-N 3.34Å; L105-Y109 VanDerWaalsContact O-N 3.13Å; V106-Y109 WeakPolarHBondContact O-CB 3.3Å; V106-Y109 PolarHBondContact O-N 2.68Å; V106-Y109 VanDerWaalsContact O-N 3.13Å; E107-Y109 PolarHBondContact O-N 3.13Å; Y109-I111 VanDerWaalsContact C-N 3.3Å; Y109-I111 PolarHBondContact O-N 2.86Å; Y109-H112 WeakPolarHBondContact O-CA 3.3Å; Y109-H112 WeakPolarHBondContact O-CB 3.43Å; Y109-H112 PolarHBondContact O-N 2.74Å; Y109-I113 HydrophobicContact CD1-CG1 4.08Å; Y109-I113 HydrophobicContact CE1-CD1 4.05Å; Y109-I113 HydrophobicContact CE1-CG1 3.84Å; Y109-I113 PolarHBondContact O-N 2.97Å |
| 110 | I | 97.8 | Very high | 96.1 | Very high | 30 Ų | 30 | 71.8 Ų | 71.8 | 15% | 0.154 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.4 | -46.3 | 173.1 | -68.9 | 170.1 | 0 | 0 | 0 | 109.6 | Y83 F86 V106 E107 H112 I113 H114 | Y83-I110 WeakPolarHBondContact OH-CG2 3.44Å; F86-I110 HydrophobicContact CE1-CG1 3.92Å; F86-I110 HydrophobicContact CZ-CG1 4.1Å; V106-I110 HydrophobicContact CG1-CD1 3.74Å; V106-I110 HydrophobicContact CG1-CG1 4.23Å; V106-I110 WeakPolarHBondContact O-CG1 3.5Å; V106-I110 PolarHBondContact O-N 3.27Å; E107-I110 PolarHBondContact O-N 3.13Å; I110-H112 VanDerWaalsContact C-N 3.26Å; I110-H112 PolarHBondContact O-N 3.4Å; I110-I113 WeakPolarHBondContact O-CB 3.29Å; I110-I113 PolarHBondContact O-N 3.38Å; I110-I113 VanDerWaalsContact O-N 3.15Å; I110-H114 PolarHBondContact O-CD2 2.81Å; I110-H114 VanDerWaalsContact O-CD2 3.25Å; I110-H114 PolarHBondContact O-N 2.87Å |
| 111 | I | 97.6 | Very high | 96 | Very high | 78 Ų | 78 | 65.4 Ų | 65.4 | 40% | 0.4 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59 | -38.2 | 175.9 | -67.2 | 165.9 | 0 | 0 | 0 | 111.5 | E107 Y109 H114 K115 | E107-I111 HydrophobicContact CG-CD1 4.13Å; E107-I111 WeakPolarHBondContact O-CG1 3.42Å; E107-I111 PolarHBondContact O-N 3.24Å; Y109-I111 VanDerWaalsContact C-N 3.3Å; Y109-I111 PolarHBondContact O-N 2.86Å; I111-H114 PolarHBondContact O-N 3.05Å; I111-K115 HydrophobicContact CG2-CD 4.33Å; I111-K115 WeakPolarHBondContact O-CG 3.49Å; I111-K115 PolarHBondContact O-N 2.88Å |
| 112 | H | 97.6 | Very high | 95.8 | Very high | 106 Ų | 106 | 68.6 Ų | 68.6 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 175.9 | -176.2 | 77.6 | 0 | 0 | 0 | 112.2 | S108 Y109 I110 H114 K115 H116 | S108-H112 PolarHBondContact O-N 3.45Å; S108-H112 VanDerWaalsContact O-N 3.1Å; Y109-H112 WeakPolarHBondContact O-CA 3.3Å; Y109-H112 WeakPolarHBondContact O-CB 3.43Å; Y109-H112 PolarHBondContact O-N 2.74Å; I110-H112 VanDerWaalsContact C-N 3.26Å; I110-H112 PolarHBondContact O-N 3.4Å; H112-H114 VanDerWaalsContact C-N 3.32Å; H112-H114 PolarHBondContact O-N 3.4Å; H112-K115 PolarHBondContact O-N 3.22Å; H112-H116 PolarHBondContact O-N 3.08Å |
| 113 | I | 97.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 173.9 | -68.4 | -63.3 | 0 | 0 | 0 | 110.8 | F61 F86 Y109 I110 K115 H116 F117 | F61-I113 HydrophobicContact CD1-CD1 4.27Å; F61-I113 HydrophobicContact CD1-CG2 3.73Å; F61-I113 HydrophobicContact CE1-CG2 3.34Å; F61-I113 HydrophobicContact CZ-CG2 4.23Å; F86-I113 HydrophobicContact CE1-CG1 4.46Å; F86-I113 HydrophobicContact CZ-CG1 4Å; Y109-I113 HydrophobicContact CD1-CG1 4.08Å; Y109-I113 HydrophobicContact CE1-CD1 4.05Å; Y109-I113 HydrophobicContact CE1-CG1 3.84Å; Y109-I113 PolarHBondContact O-N 2.97Å; I110-I113 WeakPolarHBondContact O-CB 3.29Å; I110-I113 PolarHBondContact O-N 3.38Å; I110-I113 VanDerWaalsContact O-N 3.15Å; I113-K115 PolarHBondContact O-N 2.99Å; I113-H116 PolarHBondContact O-N 3.29Å; I113-H116 VanDerWaalsContact O-N 3.1Å; I113-F117 HydrophobicContact CG2-CD2 4.06Å; I113-F117 PolarHBondContact O-N 3.41Å |
| 114 | H | 96.4 | Very high | 94.3 | Very high | 76 Ų | 76 | 78.5 Ų | 78.5 | 35% | 0.352 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 176.4 | -87.8 | -96.3 | 0 | 0 | 0 | 112.8 | Y83 I110 I111 H112 H116 F118 S119 | Y83-H114 AromaticContact CE2-NE2 3.61Å; Y83-H114 AromaticContact CZ-NE2 3.53Å; Y83-H114 PolarHBondContact OH-NE2 3.24Å; I110-H114 PolarHBondContact O-CD2 2.81Å; I110-H114 VanDerWaalsContact O-CD2 3.25Å; I110-H114 PolarHBondContact O-N 2.87Å; I111-H114 PolarHBondContact O-N 3.05Å; H112-H114 VanDerWaalsContact C-N 3.32Å; H112-H114 PolarHBondContact O-N 3.4Å; H114-H116 VanDerWaalsContact C-N 3.27Å; H114-H116 PolarHBondContact O-N 3.4Å; H114-F118 HydrophobicContact CB-CD2 4.41Å; H114-F118 AromaticContact ND1-CD2 3.64Å; H114-F118 CarbonylContact O-C 3.41Å; H114-F118 VanDerWaalsContact O-CA 3.31Å; H114-F118 WeakPolarHBondContact O-CA 3.48Å; H114-F118 WeakPolarHBondContact O-CB 3.42Å; H114-F118 PolarHBondContact O-N 2.88Å; H114-S119 PolarHBondContact O-N 3.47Å |
| 115 | K | 96.3 | Very high | 93.3 | Very high | 146 Ų | 146 | 80.9 Ų | 80.9 | 64% | 0.635 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.1 | -31.6 | 175.2 | -72.7 | 176.1 | 179.9 | 178.1 | 0 | 112.7 | I111 H112 I113 S119 | I111-K115 HydrophobicContact CG2-CD 4.33Å; I111-K115 WeakPolarHBondContact O-CG 3.49Å; I111-K115 PolarHBondContact O-N 2.88Å; H112-K115 PolarHBondContact O-N 3.22Å; I113-K115 PolarHBondContact O-N 2.99Å; K115-S119 WeakPolarHBondContact O-CB 3.34Å; K115-S119 PolarHBondContact O-OG 2.92Å |
| 116 | H | 95.4 | Very high | 92.3 | Very high | 108 Ų | 108 | 83.9 Ų | 83.9 | 50% | 0.5 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -74.8 | -49.1 | -178.7 | -169 | 63.9 | 0 | 0 | 0 | 112.5 | H112 I113 H114 | H112-H116 PolarHBondContact O-N 3.08Å; I113-H116 PolarHBondContact O-N 3.29Å; I113-H116 VanDerWaalsContact O-N 3.1Å; H114-H116 VanDerWaalsContact C-N 3.27Å; H114-H116 PolarHBondContact O-N 3.4Å |
| 117 | F | 95.5 | Very high | 91.4 | Very high | 16 Ų | 16 | 89.2 Ų | 89.2 | 7% | 0.07 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -96.1 | -31.7 | -174.6 | -70 | -78.9 | 0 | 0 | 0 | 114.1 | F61 K62 M65 W73 I113 | F61-F117 HydrophobicContact CD1-CD2 4.4Å; F61-F117 AromaticContact CD1-CE2 3.95Å; F61-F117 HydrophobicContact CD1-CE2 3.95Å; F61-F117 AromaticContact CE1-CD2 3.73Å; F61-F117 HydrophobicContact CE1-CD2 3.73Å; F61-F117 AromaticContact CE1-CE2 3.71Å; F61-F117 HydrophobicContact CE1-CE2 3.71Å; F61-F117 HydrophobicContact CE1-CG 4.49Å; F61-F117 HydrophobicContact CE1-CZ 4.49Å; K62-F117 HydrophobicContact CB-CZ 4.31Å; K62-F117 HydrophobicContact CG-CE2 4Å; K62-F117 HydrophobicContact CG-CZ 3.84Å; M65-F117 HydrophobicContact CB-CD1 4.37Å; M65-F117 HydrophobicContact CB-CE1 3.75Å; M65-F117 HydrophobicContact CB-CZ 3.98Å; M65-F117 HydrophobicContact CE-CD1 4.04Å; M65-F117 HydrophobicContact CE-CG 4.42Å; M65-F117 HydrophobicContact CG-CE1 4.23Å; M65-F117 HydrophobicContact CG-CZ 4.29Å; W73-F117 HydrophobicContact CD2-CD1 4.18Å; W73-F117 AromaticContact CE2-CD1 3.89Å; W73-F117 HydrophobicContact CE3-CD1 4.31Å; W73-F117 AromaticContact CH2-CD1 3.91Å; W73-F117 HydrophobicContact CH2-CD1 3.91Å; W73-F117 HydrophobicContact CH2-CE1 4.29Å; W73-F117 AromaticContact CZ2-CD1 3.76Å; W73-F117 HydrophobicContact CZ2-CD1 3.76Å; W73-F117 HydrophobicContact CZ2-CE1 4.01Å; W73-F117 HydrophobicContact CZ3-CD1 4.18Å; I113-F117 HydrophobicContact CG2-CD2 4.06Å; I113-F117 PolarHBondContact O-N 3.41Å |
| 118 | F | 95.5 | Very high | 90.6 | Very high | 22 Ų | 22 | 94.8 Ų | 94.8 | 10% | 0.096 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -117.9 | 12.7 | -167 | -47.2 | -55.3 | 0 | 0 | 0 | 114 | F61 M65 W73 F79 Y83 H114 N120 C121 | F61-F118 HydrophobicContact CZ-CZ 4.42Å; M65-F118 HydrophobicContact CE-CE1 4.23Å; M65-F118 HydrophobicContact CE-CZ 4.35Å; W73-F118 HydrophobicContact CB-CD1 4.3Å; W73-F118 HydrophobicContact CB-CE1 4.32Å; W73-F118 VanDerWaalsContact O-CD1 3.24Å; W73-F118 WeakPolarHBondContact O-CD1 3.47Å; W73-F118 VanDerWaalsContact O-CE1 3.23Å; W73-F118 WeakPolarHBondContact O-CE1 3.37Å; F79-F118 HydrophobicContact CD1-CE1 4.09Å; F79-F118 HydrophobicContact CD1-CZ 4.46Å; F79-F118 HydrophobicContact CD2-CE1 4.06Å; F79-F118 AromaticContact CD2-CZ 3.6Å; F79-F118 HydrophobicContact CD2-CZ 3.6Å; F79-F118 AromaticContact CE1-CE1 3.96Å; F79-F118 HydrophobicContact CE1-CE1 3.96Å; F79-F118 HydrophobicContact CE1-CZ 4.34Å; F79-F118 AromaticContact CE2-CE1 3.97Å; F79-F118 HydrophobicContact CE2-CE1 3.97Å; F79-F118 HydrophobicContact CE2-CE2 4.07Å; F79-F118 AromaticContact CE2-CZ 3.5Å; F79-F118 HydrophobicContact CE2-CZ 3.5Å; F79-F118 HydrophobicContact CG-CE1 4.14Å; F79-F118 HydrophobicContact CG-CZ 4.11Å; F79-F118 AromaticContact CZ-CE1 3.92Å; F79-F118 HydrophobicContact CZ-CE1 3.92Å; F79-F118 HydrophobicContact CZ-CE2 4.47Å; F79-F118 AromaticContact CZ-CZ 3.9Å; F79-F118 HydrophobicContact CZ-CZ 3.9Å; Y83-F118 HydrophobicContact CD2-CE2 4.48Å; H114-F118 HydrophobicContact CB-CD2 4.41Å; H114-F118 AromaticContact ND1-CD2 3.64Å; H114-F118 CarbonylContact O-C 3.41Å; H114-F118 VanDerWaalsContact O-CA 3.31Å; H114-F118 WeakPolarHBondContact O-CA 3.48Å; H114-F118 WeakPolarHBondContact O-CB 3.42Å; H114-F118 PolarHBondContact O-N 2.88Å; F118-N120 VanDerWaalsContact C-N 3.25Å; F118-N120 PolarHBondContact O-N 2.83Å; F118-C121 HydrophobicContact CB-CB 4.49Å; F118-C121 WeakPolarHBondContact O-CB 3.34Å; F118-C121 PolarHBondContact O-N 3.25Å; F118-C121 VanDerWaalsContact O-N 3.1Å |
| 119 | S | 94.2 | Very high | 90 | Very high | 78 Ų | 78 | 98.7 Ų | 98.7 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26.6 | -175.6 | 42.9 | 0 | 0 | 0 | 0 | 115.1 | H114 K115 | H114-S119 PolarHBondContact O-N 3.47Å; K115-S119 WeakPolarHBondContact O-CB 3.34Å; K115-S119 PolarHBondContact O-OG 2.92Å |
| 120 | N | 93.2 | Very high | 89.6 | Confident | 154 Ų | 154 | 103.7 Ų | 103.7 | 82% | 0.824 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 8 | 178.7 | -66 | -46.4 | 0 | 0 | 0 | 113.1 | F118 | F118-N120 VanDerWaalsContact C-N 3.25Å; F118-N120 PolarHBondContact O-N 2.83Å |
| 121 | C | 92.6 | Very high | 89.1 | Confident | 37 Ų | 37 | 104.8 Ų | 104.8 | 25% | 0.25 | 53% | 0.533 | C | S | . | . | trans | -83.8 | 128.2 | 177.5 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | C74 F118 | C74-C121 WeakPolarHBondContact CA-SG 3.45Å; C74-C121 HydrophobicContact CB-CB 3.73Å; C74-C121 WeakPolarHBondContact CB-SG 3.35Å; C74-C121 WeakPolarHBondContact SG-CA 3.47Å; C74-C121 WeakPolarHBondContact SG-CB 3.35Å; C74-C121 CovalentContact SG-SG 2.04Å; C74-C121 PolarHBondContact SG-SG 3.34Å; F118-C121 HydrophobicContact CB-CB 4.49Å; F118-C121 WeakPolarHBondContact O-CB 3.34Å; F118-C121 PolarHBondContact O-N 3.25Å; F118-C121 VanDerWaalsContact O-N 3.1Å | ||
| 122 | T | 89.6 | Confident | 89 | Confident | 136 Ų | 136 | 105.5 Ų | 105.5 | 83% | 0.834 | 54% | 0.542 | S | S | * | . | trans | -84.6 | 125.8 | 170.1 | 52 | 0 | 0 | 0 | 0 | 109.1 | E124 | T122-E124 PolarHBondContact O-N 3.45Š| ||
| 123 | V | 81.4 | Confident | 88.8 | Confident | 123 Ų | 123 | 106.5 Ų | 106.5 | 75% | 0.745 | 55% | 0.551 | S | S | * | * | trans | -77.1 | 115.5 | 168.8 | 179.9 | 0 | 0 | 0 | 0 | 107.3 | E125 | V123-E125 VanDerWaalsContact C-N 3.31Å; V123-E125 HydrophobicContact CG1-CG 4.24Å; V123-E125 PolarHBondContact O-N 3.1Å | ||
| 124 | E | 77.7 | Confident | 88.7 | Confident | 178 Ų | 178 | 112.8 Ų | 112.8 | 83% | 0.832 | 59% | 0.585 | S | S | * | * | trans | -73 | 94.5 | 166.4 | -167.1 | 163.2 | -156.9 | 0 | 0 | 107.1 | T122 V126 | T122-E124 PolarHBondContact O-N 3.45Å; E124-V126 PolarHBondContact O-N 2.99Å | ||
| 125 | E | 73.9 | Confident | 88.6 | Confident | 153 Ų | 153 | 112.3 Ų | 112.3 | 72% | 0.715 | 59% | 0.587 | S | S | * | * | trans | -66.6 | 99.9 | 173.7 | -74.6 | -175.1 | 178.2 | 0 | 0 | 108.2 | V123 I127 | V123-E125 VanDerWaalsContact C-N 3.31Å; V123-E125 HydrophobicContact CG1-CG 4.24Å; V123-E125 PolarHBondContact O-N 3.1Å; E125-I127 VanDerWaalsContact C-N 3.29Å; E125-I127 HydrophobicContact CB-CG1 4.39Å; E125-I127 PolarHBondContact O-N 3.27Å | ||
| 126 | V | 76 | Confident | 88.7 | Confident | 92 Ų | 92 | 108.4 Ų | 108.4 | 56% | 0.558 | 57% | 0.573 | S | S | * | * | trans | -69.7 | 99.2 | 160.7 | -173.9 | 0 | 0 | 0 | 0 | 105.9 | E124 W128 | E124-V126 PolarHBondContact O-N 2.99Å; V126-W128 VanDerWaalsContact C-N 3.32Å; V126-W128 HydrophobicContact CG1-CD2 4.11Å; V126-W128 HydrophobicContact CG1-CG 4.5Å; V126-W128 HydrophobicContact CG1-CH2 4.42Å; V126-W128 HydrophobicContact CG1-CZ2 3.7Å; V126-W128 PolarHBondContact O-N 2.97Å | ||
| 127 | I | 79.3 | Confident | 88.7 | Confident | 111 Ų | 111 | 106.7 Ų | 106.7 | 57% | 0.569 | 57% | 0.57 | S | S | * | * | trans | -69.4 | 93.2 | 178.6 | -60.6 | 175.6 | 0 | 0 | 0 | 107.7 | E125 M129 | E125-I127 VanDerWaalsContact C-N 3.29Å; E125-I127 HydrophobicContact CB-CG1 4.39Å; E125-I127 PolarHBondContact O-N 3.27Å; I127-M129 HydrophobicContact CG2-CB 3.77Å; I127-M129 HydrophobicContact CG2-CE 3.92Å; I127-M129 HydrophobicContact CG2-CG 3.38Å; I127-M129 HydrophobicContact CG2-SD 3.45Å; I127-M129 WeakPolarHBondContact CG2-SD 3.41Å; I127-M129 PolarHBondContact O-N 3.26Å | ||
| 128 | W | 80.4 | Confident | 88.8 | Confident | 233 Ų | 233 | 110 Ų | 110 | 88% | 0.883 | 59% | 0.592 | S | S | * | * | trans | -78.9 | 72.9 | 167.1 | -59.7 | 102.1 | 0 | 0 | 0 | 108.6 | V126 | V126-W128 VanDerWaalsContact C-N 3.32Å; V126-W128 HydrophobicContact CG1-CD2 4.11Å; V126-W128 HydrophobicContact CG1-CG 4.5Å; V126-W128 HydrophobicContact CG1-CH2 4.42Å; V126-W128 HydrophobicContact CG1-CZ2 3.7Å; V126-W128 PolarHBondContact O-N 2.97Å | ||
| 129 | M | 85.6 | Confident | 88.8 | Confident | 154 Ų | 154 | 114.5 Ų | 114.5 | 76% | 0.759 | 62% | 0.616 | S | S | * | * | trans | -105.8 | 141.3 | 172.2 | -78.6 | 177.8 | -174.6 | 0 | 0 | 110 | I127 | I127-M129 HydrophobicContact CG2-CB 3.77Å; I127-M129 HydrophobicContact CG2-CE 3.92Å; I127-M129 HydrophobicContact CG2-CG 3.38Å; I127-M129 HydrophobicContact CG2-SD 3.45Å; I127-M129 WeakPolarHBondContact CG2-SD 3.41Å; I127-M129 PolarHBondContact O-N 3.26Å | ||
| 130 | D | 88.3 | Confident | 88.9 | Confident | 145 Ų | 145 | 115.5 Ų | 115.5 | 78% | 0.775 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 145 | 166.2 | -70.6 | -42.2 | 0 | 0 | 0 | 109.6 | ||
| 131 | P | 88.1 | Confident | 89.1 | Confident | 54 Ų | 54 | 112 Ų | 112 | 35% | 0.351 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 155.8 | 175.3 | 31.2 | -36.3 | 0 | 0 | 0 | 109.6 | D133 T135 L136 | P131-D133 PolarHBondContact O-N 3.49Å; P131-T135 WeakPolarHBondContact CB-OG1 3.41Å; P131-L136 HydrophobicContact CG-CB 4.3Å; P131-L136 HydrophobicContact CG-CD1 4.27Å |
| 132 | P | 93.9 | Very high | 89.4 | Confident | 92 Ų | 92 | 113.6 Ų | 113.6 | 60% | 0.597 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 141.6 | -180 | -26.1 | 32.8 | 0 | 0 | 0 | 112.7 | D134 T135 L136 | P132-D134 PolarHBondContact O-N 2.99Å; P132-T135 HydrophobicContact CB-CG2 4.49Å; P132-T135 WeakPolarHBondContact CD-OG1 3.35Å; P132-T135 WeakPolarHBondContact O-CA 3.48Å; P132-T135 PolarHBondContact O-N 3.17Å; P132-T135 PolarHBondContact O-OG1 3.37Å; P132-L136 PolarHBondContact O-N 2.94Å |
| 133 | D | 94.6 | Very high | 89.7 | Confident | 127 Ų | 127 | 110.1 Ų | 110.1 | 68% | 0.679 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -49.8 | -39.6 | -173.7 | -69.1 | -21.3 | 0 | 0 | 0 | 113.5 | P131 T135 L136 T137 | P131-D133 PolarHBondContact O-N 3.49Å; D133-T135 PolarHBondContact O-N 2.91Å; D133-L136 PolarHBondContact O-N 2.04Å; D133-T137 VanDerWaalsContact O-CB 3.25Å; D133-T137 WeakPolarHBondContact O-CB 3.37Å; D133-T137 PolarHBondContact O-N 3.03Å; D133-T137 PolarHBondContact O-OG1 2.8Å |
| 134 | D | 95.7 | Very high | 90.5 | Very high | 134 Ų | 134 | 107.6 Ų | 107.6 | 72% | 0.717 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.2 | -44.1 | 177.4 | -67 | -26.9 | 0 | 0 | 0 | 111.9 | P132 T137 V138 | P132-D134 PolarHBondContact O-N 2.99Å; D134-T137 PolarHBondContact O-N 3.47Å; D134-V138 WeakPolarHBondContact O-CG2 3.43Å; D134-V138 PolarHBondContact O-N 2.93Å |
| 135 | T | 94.4 | Very high | 91.4 | Very high | 65 Ų | 65 | 105.3 Ų | 105.3 | 40% | 0.399 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.8 | -41.6 | 179.5 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | P131 P132 D133 T137 V138 L139 | P131-T135 WeakPolarHBondContact CB-OG1 3.41Å; P132-T135 HydrophobicContact CB-CG2 4.49Å; P132-T135 WeakPolarHBondContact CD-OG1 3.35Å; P132-T135 WeakPolarHBondContact O-CA 3.48Å; P132-T135 PolarHBondContact O-N 3.17Å; P132-T135 PolarHBondContact O-OG1 3.37Å; D133-T135 PolarHBondContact O-N 2.91Å; T135-T137 VanDerWaalsContact C-N 3.32Å; T135-T137 PolarHBondContact O-N 3.13Å; T135-V138 PolarHBondContact O-N 3.17Å; T135-L139 WeakPolarHBondContact O-CB 3.49Å; T135-L139 VanDerWaalsContact O-CG 3.29Å; T135-L139 WeakPolarHBondContact O-CG 3.46Å; T135-L139 PolarHBondContact O-N 3.16Å |
| 136 | L | 96.5 | Very high | 92.5 | Very high | 65 Ų | 65 | 103.1 Ų | 103.1 | 34% | 0.34 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 174.7 | -176.5 | 63.4 | 0 | 0 | 0 | 110.7 | P131 P132 D133 V138 L139 I140 | P131-L136 HydrophobicContact CG-CB 4.3Å; P131-L136 HydrophobicContact CG-CD1 4.27Å; P132-L136 PolarHBondContact O-N 2.94Å; D133-L136 PolarHBondContact O-N 2.04Å; L136-V138 PolarHBondContact O-N 3.4Å; L136-L139 PolarHBondContact O-N 3.41Å; L136-I140 HydrophobicContact CD1-CD1 4.33Å; L136-I140 HydrophobicContact CG-CD1 4.06Å; L136-I140 WeakPolarHBondContact O-CG1 3.5Å; L136-I140 PolarHBondContact O-N 3.41Å |
| 137 | T | 96.4 | Very high | 93.5 | Very high | 71 Ų | 71 | 102.5 Ų | 102.5 | 44% | 0.436 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 178.9 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | D133 D134 T135 L139 I140 L141 | D133-T137 VanDerWaalsContact O-CB 3.25Å; D133-T137 WeakPolarHBondContact O-CB 3.37Å; D133-T137 PolarHBondContact O-N 3.03Å; D133-T137 PolarHBondContact O-OG1 2.8Å; D134-T137 PolarHBondContact O-N 3.47Å; T135-T137 VanDerWaalsContact C-N 3.32Å; T135-T137 PolarHBondContact O-N 3.13Å; T137-L139 PolarHBondContact O-N 3.24Å; T137-I140 PolarHBondContact O-N 2.83Å; T137-L141 HydrophobicContact CG2-CD1 3.79Å; T137-L141 HydrophobicContact CG2-CG 4.2Å; T137-L141 WeakPolarHBondContact O-CB 3.32Å; T137-L141 WeakPolarHBondContact O-CG 3.46Å; T137-L141 PolarHBondContact O-N 3.3Å |
| 138 | V | 96.9 | Very high | 94.3 | Very high | 87 Ų | 87 | 102 Ų | 102 | 53% | 0.527 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 176 | 172 | 0 | 0 | 0 | 0 | 111.2 | D134 T135 L136 I140 L141 V142 | D134-V138 WeakPolarHBondContact O-CG2 3.43Å; D134-V138 PolarHBondContact O-N 2.93Å; T135-V138 PolarHBondContact O-N 3.17Å; L136-V138 PolarHBondContact O-N 3.4Å; V138-I140 PolarHBondContact O-N 3.32Å; V138-L141 PolarHBondContact O-N 3.24Å; V138-V142 HydrophobicContact CG1-CG2 3.98Å; V138-V142 WeakPolarHBondContact O-CB 3.02Å; V138-V142 VanDerWaalsContact O-CG2 3.26Å; V138-V142 WeakPolarHBondContact O-CG2 3.04Å; V138-V142 PolarHBondContact O-N 3.03Å |
| 139 | L | 96.1 | Very high | 95.1 | Very high | 116 Ų | 116 | 93.1 Ų | 93.1 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.3 | -30.4 | 177.6 | -73.8 | 170 | 0 | 0 | 0 | 112.9 | T135 L136 T137 P143 | T135-L139 WeakPolarHBondContact O-CB 3.49Å; T135-L139 VanDerWaalsContact O-CG 3.29Å; T135-L139 WeakPolarHBondContact O-CG 3.46Å; T135-L139 PolarHBondContact O-N 3.16Å; L136-L139 PolarHBondContact O-N 3.41Å; T137-L139 PolarHBondContact O-N 3.24Å; L139-P143 WeakPolarHBondContact O-CD 3.4Å; L139-P143 VanDerWaalsContact O-CG 3.25Å; L139-P143 WeakPolarHBondContact O-CG 3.36Å |
| 140 | I | 97.2 | Very high | 95.5 | Very high | 99 Ų | 99 | 91.3 Ų | 91.3 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -80.2 | -44.5 | 174.9 | -65.7 | 165.8 | 0 | 0 | 0 | 111.2 | L136 T137 V138 P143 V144 | L136-I140 HydrophobicContact CD1-CD1 4.33Å; L136-I140 HydrophobicContact CG-CD1 4.06Å; L136-I140 WeakPolarHBondContact O-CG1 3.5Å; L136-I140 PolarHBondContact O-N 3.41Å; T137-I140 PolarHBondContact O-N 2.83Å; V138-I140 PolarHBondContact O-N 3.32Å; I140-P143 WeakPolarHBondContact O-CD 3.43Å; I140-P143 WeakPolarHBondContact O-CG 3.1Å; I140-V144 WeakPolarHBondContact O-CG2 3.48Å |
| 141 | L | 97.5 | Very high | 95.9 | Very high | 79 Ų | 79 | 89.3 Ų | 89.3 | 41% | 0.414 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.6 | -40 | -174.2 | -75.6 | -179.7 | 0 | 0 | 0 | 113 | T137 V138 V144 F145 | T137-L141 HydrophobicContact CG2-CD1 3.79Å; T137-L141 HydrophobicContact CG2-CG 4.2Å; T137-L141 WeakPolarHBondContact O-CB 3.32Å; T137-L141 WeakPolarHBondContact O-CG 3.46Å; T137-L141 PolarHBondContact O-N 3.3Å; V138-L141 PolarHBondContact O-N 3.24Å; L141-V144 PolarHBondContact O-N 3.36Å; L141-F145 HydrophobicContact CB-CD2 4.08Å; L141-F145 HydrophobicContact CB-CE2 3.84Å; L141-F145 HydrophobicContact CD1-CE2 4.4Å; L141-F145 HydrophobicContact CD2-CE2 4.03Å; L141-F145 HydrophobicContact CD2-CZ 4.46Å; L141-F145 HydrophobicContact CG-CE2 4.31Å; L141-F145 WeakPolarHBondContact O-CD2 3.16Å; L141-F145 PolarHBondContact O-N 2.8Å |
| 142 | V | 97.7 | Very high | 96.2 | Very high | 72 Ų | 72 | 89.6 Ų | 89.6 | 44% | 0.436 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -54.6 | -55.5 | -179.3 | 169 | 0 | 0 | 0 | 0 | 112.9 | V138 V144 F145 L146 | V138-V142 HydrophobicContact CG1-CG2 3.98Å; V138-V142 WeakPolarHBondContact O-CB 3.02Å; V138-V142 VanDerWaalsContact O-CG2 3.26Å; V138-V142 WeakPolarHBondContact O-CG2 3.04Å; V138-V142 PolarHBondContact O-N 3.03Å; V142-V144 VanDerWaalsContact C-N 3.3Å; V142-V144 PolarHBondContact O-N 2.93Å; V142-F145 PolarHBondContact O-N 3.14Å; V142-L146 HydrophobicContact CG1-CD1 3.89Å; V142-L146 HydrophobicContact CG1-CG 4.41Å; V142-L146 VanDerWaalsContact O-CG 3.29Å; V142-L146 WeakPolarHBondContact O-CG 3.24Å; V142-L146 PolarHBondContact O-N 3.33Å |
| 143 | P | 96.8 | Very high | 96.2 | Very high | 63 Ų | 63 | 90 Ų | 90 | 41% | 0.409 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -32.6 | 178.8 | 23.3 | -32.5 | 0 | 0 | 0 | 112.8 | L139 I140 L146 T147 | L139-P143 WeakPolarHBondContact O-CD 3.4Å; L139-P143 VanDerWaalsContact O-CG 3.25Å; L139-P143 WeakPolarHBondContact O-CG 3.36Å; I140-P143 WeakPolarHBondContact O-CD 3.43Å; I140-P143 WeakPolarHBondContact O-CG 3.1Å; P143-L146 PolarHBondContact O-N 2.96Å; P143-T147 VanDerWaalsContact O-CG2 3.3Å; P143-T147 WeakPolarHBondContact O-CG2 3.31Å; P143-T147 PolarHBondContact O-N 3Å; P143-T147 PolarHBondContact O-OG1 3.45Å |
| 144 | V | 97.9 | Very high | 96.3 | Very high | 70 Ų | 70 | 88.5 Ų | 88.5 | 42% | 0.424 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -49 | 174.2 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | I140 L141 V142 L146 T147 L148 | I140-V144 WeakPolarHBondContact O-CG2 3.48Å; L141-V144 PolarHBondContact O-N 3.36Å; V142-V144 VanDerWaalsContact C-N 3.3Å; V142-V144 PolarHBondContact O-N 2.93Å; V144-L146 VanDerWaalsContact C-N 3.35Å; V144-L146 PolarHBondContact O-N 3.16Å; V144-T147 PolarHBondContact O-N 2.9Å; V144-T147 PolarHBondContact O-OG1 2.93Å; V144-L148 HydrophobicContact CG1-CD1 4.3Å; V144-L148 WeakPolarHBondContact O-CG 3.39Å; V144-L148 PolarHBondContact O-N 3.21Å; V144-L148 VanDerWaalsContact O-N 3.12Å |
| 145 | F | 97 | Very high | 96.3 | Very high | 129 Ų | 129 | 86.5 Ų | 86.5 | 57% | 0.566 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.4 | -37.4 | 178.1 | -71.6 | -59.3 | 0 | 0 | 0 | 112.8 | L141 V142 L148 A149 | L141-F145 HydrophobicContact CB-CD2 4.08Å; L141-F145 HydrophobicContact CB-CE2 3.84Å; L141-F145 HydrophobicContact CD1-CE2 4.4Å; L141-F145 HydrophobicContact CD2-CE2 4.03Å; L141-F145 HydrophobicContact CD2-CZ 4.46Å; L141-F145 HydrophobicContact CG-CE2 4.31Å; L141-F145 WeakPolarHBondContact O-CD2 3.16Å; L141-F145 PolarHBondContact O-N 2.8Å; V142-F145 PolarHBondContact O-N 3.14Å; F145-L148 PolarHBondContact O-N 3.1Å; F145-A149 WeakPolarHBondContact O-CB 3.28Å; F145-A149 PolarHBondContact O-N 2.69Å |
| 146 | L | 97.3 | Very high | 96.2 | Very high | 108 Ų | 108 | 92 Ų | 92 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.4 | -42.9 | 176 | -71.6 | 174.8 | 0 | 0 | 0 | 112.1 | V142 P143 V144 A149 M150 | V142-L146 HydrophobicContact CG1-CD1 3.89Å; V142-L146 HydrophobicContact CG1-CG 4.41Å; V142-L146 VanDerWaalsContact O-CG 3.29Å; V142-L146 WeakPolarHBondContact O-CG 3.24Å; V142-L146 PolarHBondContact O-N 3.33Å; P143-L146 PolarHBondContact O-N 2.96Å; V144-L146 VanDerWaalsContact C-N 3.35Å; V144-L146 PolarHBondContact O-N 3.16Å; L146-A149 PolarHBondContact O-N 3.18Å; L146-M150 WeakPolarHBondContact O-CB 3.48Å; L146-M150 WeakPolarHBondContact O-CG 3.08Å; L146-M150 PolarHBondContact O-N 3.48Å |
| 147 | T | 96.4 | Very high | 95.9 | Very high | 79 Ų | 79 | 92.3 Ų | 92.3 | 49% | 0.485 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 177.3 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | P143 V144 A149 M150 I151 | P143-T147 VanDerWaalsContact O-CG2 3.3Å; P143-T147 WeakPolarHBondContact O-CG2 3.31Å; P143-T147 PolarHBondContact O-N 3Å; P143-T147 PolarHBondContact O-OG1 3.45Å; V144-T147 PolarHBondContact O-N 2.9Å; V144-T147 PolarHBondContact O-OG1 2.93Å; T147-A149 PolarHBondContact O-N 2.9Å; T147-M150 PolarHBondContact O-N 2.91Å; T147-I151 VanDerWaalsContact O-CG1 3.29Å; T147-I151 WeakPolarHBondContact O-CG1 3.3Å; T147-I151 PolarHBondContact O-N 3.12Å |
| 148 | L | 96 | Very high | 95.6 | Very high | 100 Ų | 100 | 92 Ų | 92 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.6 | -67.6 | 175.7 | 0 | 0 | 0 | 112.2 | V144 F145 I151 A152 | V144-L148 HydrophobicContact CG1-CD1 4.3Å; V144-L148 WeakPolarHBondContact O-CG 3.39Å; V144-L148 PolarHBondContact O-N 3.21Å; V144-L148 VanDerWaalsContact O-N 3.12Å; F145-L148 PolarHBondContact O-N 3.1Å; L148-I151 PolarHBondContact O-N 2.94Å; L148-A152 WeakPolarHBondContact O-CB 3.29Å; L148-A152 PolarHBondContact O-N 3.38Å |
| 149 | A | 96 | Very high | 95 | Very high | 47 Ų | 47 | 94.4 Ų | 94.4 | 39% | 0.388 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F145 L146 T147 A152 L153 | F145-A149 WeakPolarHBondContact O-CB 3.28Å; F145-A149 PolarHBondContact O-N 2.69Å; L146-A149 PolarHBondContact O-N 3.18Å; T147-A149 PolarHBondContact O-N 2.9Å; A149-A152 PolarHBondContact O-N 3.34Å; A149-L153 WeakPolarHBondContact O-CB 3.3Å; A149-L153 VanDerWaalsContact O-CG 3.28Å; A149-L153 WeakPolarHBondContact O-CG 3.5Å; A149-L153 PolarHBondContact O-N 3.24Å |
| 150 | M | 95.6 | Very high | 94.4 | Very high | 116 Ų | 116 | 96.5 Ų | 96.5 | 57% | 0.571 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.7 | -44.2 | 176.9 | -74.3 | -60.3 | -64.4 | 0 | 0 | 112.1 | L146 T147 A152 L153 V154 | L146-M150 WeakPolarHBondContact O-CB 3.48Å; L146-M150 WeakPolarHBondContact O-CG 3.08Å; L146-M150 PolarHBondContact O-N 3.48Å; T147-M150 PolarHBondContact O-N 2.91Å; M150-A152 PolarHBondContact O-N 2.02Å; M150-L153 PolarHBondContact O-N 2.71Å; M150-L153 HydrophobicContact SD-CD1 4.43Å; M150-V154 VanDerWaalsContact O-CG2 3.29Å; M150-V154 WeakPolarHBondContact O-CG2 3.44Å; M150-V154 PolarHBondContact O-N 2.94Å |
| 151 | I | 95.9 | Very high | 93.4 | Very high | 102 Ų | 102 | 95.4 Ų | 95.4 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 175.9 | -67.2 | 164 | 0 | 0 | 0 | 110.4 | T147 L148 L153 V154 V155 | T147-I151 VanDerWaalsContact O-CG1 3.29Å; T147-I151 WeakPolarHBondContact O-CG1 3.3Å; T147-I151 PolarHBondContact O-N 3.12Å; L148-I151 PolarHBondContact O-N 2.94Å; I151-L153 VanDerWaalsContact C-N 3.34Å; I151-L153 PolarHBondContact O-N 3.44Å; I151-V154 PolarHBondContact O-N 3.32Å; I151-V155 HydrophobicContact CG2-CG2 4.4Å; I151-V155 WeakPolarHBondContact O-CG2 3.28Å; I151-V155 PolarHBondContact O-N 2.89Å |
| 152 | A | 93.8 | Very high | 92.1 | Very high | 60 Ų | 60 | 97 Ų | 97 | 50% | 0.496 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L148 A149 M150 V155 W156 | L148-A152 WeakPolarHBondContact O-CB 3.29Å; L148-A152 PolarHBondContact O-N 3.38Å; A149-A152 PolarHBondContact O-N 3.34Å; M150-A152 PolarHBondContact O-N 2.02Å; A152-V155 PolarHBondContact O-N 3.27Å; A152-W156 VanDerWaalsContact O-CB 3.26Å; A152-W156 WeakPolarHBondContact O-CB 3.35Å; A152-W156 PolarHBondContact O-N 3.3Å |
| 153 | L | 95.4 | Very high | 90.5 | Very high | 100 Ų | 100 | 99.9 Ų | 99.9 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 175.9 | -73.1 | 173.6 | 0 | 0 | 0 | 112 | A149 M150 I151 W156 C157 | A149-L153 WeakPolarHBondContact O-CB 3.3Å; A149-L153 VanDerWaalsContact O-CG 3.28Å; A149-L153 WeakPolarHBondContact O-CG 3.5Å; A149-L153 PolarHBondContact O-N 3.24Å; M150-L153 PolarHBondContact O-N 2.71Å; M150-L153 HydrophobicContact SD-CD1 4.43Å; I151-L153 VanDerWaalsContact C-N 3.34Å; I151-L153 PolarHBondContact O-N 3.44Å; L153-W156 PolarHBondContact O-N 2.67Å; L153-C157 WeakPolarHBondContact O-CB 3.42Å; L153-C157 PolarHBondContact O-N 2.89Å; L153-C157 PolarHBondContact O-SG 3.47Å; L153-C157 VanDerWaalsContact O-SG 3.37Å |
| 154 | V | 95.9 | Very high | 88.8 | Confident | 97 Ų | 97 | 103.5 Ų | 103.5 | 59% | 0.588 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.7 | -46.9 | 178.1 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | M150 I151 W156 C157 S158 | M150-V154 VanDerWaalsContact O-CG2 3.29Å; M150-V154 WeakPolarHBondContact O-CG2 3.44Å; M150-V154 PolarHBondContact O-N 2.94Å; I151-V154 PolarHBondContact O-N 3.32Å; V154-W156 VanDerWaalsContact C-N 3.34Å; V154-W156 PolarHBondContact O-N 3.39Å; V154-C157 PolarHBondContact O-N 3.38Å; V154-S158 WeakPolarHBondContact O-CB 3.5Å; V154-S158 PolarHBondContact O-N 3.14Å |
| 155 | V | 94.7 | Very high | 86.6 | Confident | 91 Ų | 91 | 106.8 Ų | 106.8 | 55% | 0.552 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.7 | -43.9 | 177.8 | 172.3 | 0 | 0 | 0 | 0 | 111 | I151 A152 S158 K159 | I151-V155 HydrophobicContact CG2-CG2 4.4Å; I151-V155 WeakPolarHBondContact O-CG2 3.28Å; I151-V155 PolarHBondContact O-N 2.89Å; A152-V155 PolarHBondContact O-N 3.27Å; V155-S158 PolarHBondContact O-N 3.12Å; V155-K159 WeakPolarHBondContact O-CB 3.41Å; V155-K159 PolarHBondContact O-N 3.24Å |
| 156 | W | 92.2 | Very high | 86.1 | Confident | 180 Ų | 180 | 105.7 Ų | 105.7 | 68% | 0.682 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.8 | -48.4 | 177.5 | -179.5 | -95 | 0 | 0 | 0 | 112.2 | A152 L153 V154 K159 R160 | A152-W156 VanDerWaalsContact O-CB 3.26Å; A152-W156 WeakPolarHBondContact O-CB 3.35Å; A152-W156 PolarHBondContact O-N 3.3Å; L153-W156 PolarHBondContact O-N 2.67Å; V154-W156 VanDerWaalsContact C-N 3.34Å; V154-W156 PolarHBondContact O-N 3.39Å; W156-K159 PolarHBondContact O-N 3.15Å; W156-R160 PolarHBondContact O-N 3.27Å |
| 157 | C | 90.3 | Very high | 85.5 | Confident | 73 Ų | 73 | 105.6 Ų | 105.6 | 49% | 0.493 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.5 | -39.8 | 178.8 | -75.4 | 0 | 0 | 0 | 0 | 112.4 | L153 V154 R160 S161 | L153-C157 WeakPolarHBondContact O-CB 3.42Å; L153-C157 PolarHBondContact O-N 2.89Å; L153-C157 PolarHBondContact O-SG 3.47Å; L153-C157 VanDerWaalsContact O-SG 3.37Å; V154-C157 PolarHBondContact O-N 3.38Å; C157-R160 PolarHBondContact O-N 3.26Å; C157-S161 WeakPolarHBondContact O-CB 3.04Å; C157-S161 PolarHBondContact O-N 2.82Å; C157-S161 PolarHBondContact O-OG 2.76Å |
| 158 | S | 90.6 | Very high | 84.9 | Confident | 64 Ų | 64 | 107.1 Ų | 107.1 | 45% | 0.448 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.7 | -52.4 | 175 | -169 | 0 | 0 | 0 | 0 | 110.6 | V154 V155 R160 S161 D162 | V154-S158 WeakPolarHBondContact O-CB 3.5Å; V154-S158 PolarHBondContact O-N 3.14Å; V155-S158 PolarHBondContact O-N 3.12Å; S158-R160 VanDerWaalsContact C-N 3.3Å; S158-R160 PolarHBondContact O-N 2.96Å; S158-S161 WeakPolarHBondContact O-CB 3.45Å; S158-S161 PolarHBondContact O-N 3.26Å; S158-D162 VanDerWaalsContact O-CG 3.29Å; S158-D162 PolarHBondContact O-N 2.94Å |
| 159 | K | 85.7 | Confident | 84.2 | Confident | 138 Ų | 138 | 107.5 Ų | 107.5 | 60% | 0.6 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.5 | -38.1 | -179.2 | -175.5 | 174.3 | 179.9 | 170.8 | 0 | 112.7 | V155 W156 L163 | V155-K159 WeakPolarHBondContact O-CB 3.41Å; V155-K159 PolarHBondContact O-N 3.24Å; W156-K159 PolarHBondContact O-N 3.15Å; K159-L163 HydrophobicContact CG-CD1 4.39Å; K159-L163 VanDerWaalsContact O-CG 3.31Å; K159-L163 WeakPolarHBondContact O-CG 3.49Å; K159-L163 PolarHBondContact O-N 3.05Å |
| 160 | R | 82.8 | Confident | 83.5 | Confident | 160 Ų | 160 | 111.3 Ų | 111.3 | 60% | 0.604 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.1 | -36.5 | 176.4 | -171.3 | 179.6 | -177.6 | -175.1 | 1.9 | 112.1 | W156 C157 S158 L163 L164 | W156-R160 PolarHBondContact O-N 3.27Å; C157-R160 PolarHBondContact O-N 3.26Å; S158-R160 VanDerWaalsContact C-N 3.3Å; S158-R160 PolarHBondContact O-N 2.96Å; R160-L163 PolarHBondContact O-N 2.68Å; R160-L164 HydrophobicContact CG-CD1 4.09Å; R160-L164 WeakPolarHBondContact O-CG 3.4Å; R160-L164 PolarHBondContact O-N 2.72Å |
| 161 | S | 76.2 | Confident | 82.7 | Confident | 75 Ų | 75 | 110.9 Ų | 110.9 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.1 | -40.3 | 176.6 | -54.3 | 0 | 0 | 0 | 0 | 111 | C157 S158 L163 L164 A165 | C157-S161 WeakPolarHBondContact O-CB 3.04Å; C157-S161 PolarHBondContact O-N 2.82Å; C157-S161 PolarHBondContact O-OG 2.76Å; S158-S161 WeakPolarHBondContact O-CB 3.45Å; S158-S161 PolarHBondContact O-N 3.26Å; S161-L163 VanDerWaalsContact C-N 3.3Å; S161-L163 PolarHBondContact O-N 2.95Å; S161-L164 PolarHBondContact O-N 2.92Å; S161-A165 PolarHBondContact O-N 2.82Å; S161-A165 VanDerWaalsContact O-N 3.16Å |
| 162 | D | 69.2 | Low | 81.7 | Confident | 112 Ų | 112 | 111.6 Ų | 111.6 | 60% | 0.599 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.9 | -28.6 | 176 | -62.4 | -31.3 | 0 | 0 | 0 | 113.4 | S158 | S158-D162 VanDerWaalsContact O-CG 3.29Å; S158-D162 PolarHBondContact O-N 2.94Å |
| 163 | L | 64.9 | Low | 80.8 | Confident | 133 Ų | 133 | 115.5 Ų | 115.5 | 70% | 0.696 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -15.8 | 176.4 | -72.7 | 169.7 | 0 | 0 | 0 | 113.7 | K159 R160 S161 | K159-L163 HydrophobicContact CG-CD1 4.39Å; K159-L163 VanDerWaalsContact O-CG 3.31Å; K159-L163 WeakPolarHBondContact O-CG 3.49Å; K159-L163 PolarHBondContact O-N 3.05Å; R160-L163 PolarHBondContact O-N 2.68Å; S161-L163 VanDerWaalsContact C-N 3.3Å; S161-L163 PolarHBondContact O-N 2.95Å |
| 164 | L | 60.9 | Low | 79.6 | Confident | 140 Ų | 140 | 116.8 Ų | 116.8 | 73% | 0.733 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -7.2 | -178.5 | -71 | 173 | 0 | 0 | 0 | 113 | R160 S161 | R160-L164 HydrophobicContact CG-CD1 4.09Å; R160-L164 WeakPolarHBondContact O-CG 3.4Å; R160-L164 PolarHBondContact O-N 2.72Å; S161-L164 PolarHBondContact O-N 2.92Å |
| 165 | A | 51.8 | Low | 78.1 | Confident | 139 Ų | 139 | 118.6 Ų | 118.6 | 100% | 1.149 | 64% | 0.644 | S | S | * | * | trans | -91.9 | 0 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S161 | S161-A165 PolarHBondContact O-N 2.82Å; S161-A165 VanDerWaalsContact O-N 3.16Å |
Retrieved 165 of 165 residues in 126.8 ms
(Link to these results)