| 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 | 42.7 | Very low | 46.1 | Very low | 232 Ų | 232 | 122.6 Ų | 122.6 | 100% | 1.143 | 65% | 0.653 | S | S | * | * | 0 | 14.7 | 0 | -81.1 | -170.2 | 170.2 | 0 | 0 | 117.4 | |||||
| 2 | P | 45.3 | Very low | 46.5 | Very low | 119 Ų | 119 | 121 Ų | 121 | 77% | 0.773 | 64% | 0.644 | S | S | * | * | trans | -90.1 | -4.2 | 176.8 | 7.3 | 11.2 | 0 | 0 | 0 | 116.2 | ||||
| 3 | L | 42.4 | Very low | 47 | Very low | 152 Ų | 152 | 117.2 Ų | 117.2 | 80% | 0.796 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -84.4 | -11.6 | -171.1 | -93.3 | 150.7 | 0 | 0 | 0 | 115.6 | ||
| 4 | E | 44.3 | Very low | 47.5 | Very low | 157 Ų | 157 | 116.1 Ų | 116.1 | 73% | 0.734 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -95.2 | -10.8 | -177.9 | -74.3 | -177.3 | 157.3 | 0 | 0 | 114.6 | S7 | E4-S7 PolarHBondContact O-OG 3.41Š|
| 5 | L | 41.8 | Very low | 47.8 | Very low | 119 Ų | 119 | 113.9 Ų | 113.9 | 62% | 0.623 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -82 | -23.8 | -179.2 | -121.6 | 97.8 | 0 | 0 | 0 | 113.8 | R9 | L5-R9 PolarHBondContact O-N 3.3Å |
| 6 | S | 46.1 | Very low | 48.2 | Very low | 78 Ų | 78 | 112.6 Ų | 112.6 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -74.6 | -38.7 | -177.8 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | R9 S10 | S6-R9 PolarHBondContact O-N 3.11Å; S6-S10 PolarHBondContact O-N 3.12Å; S6-S10 VanDerWaalsContact O-N 3.13Å |
| 7 | S | 47.7 | Very low | 48.5 | Very low | 61 Ų | 61 | 109.1 Ų | 109.1 | 43% | 0.427 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.5 | -37.6 | 178.1 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | E4 R9 S10 V11 | E4-S7 PolarHBondContact O-OG 3.41Å; S7-R9 VanDerWaalsContact C-N 3.33Å; S7-R9 PolarHBondContact O-N 3.26Å; S7-S10 PolarHBondContact O-N 3.12Å; S7-S10 PolarHBondContact O-OG 3.39Å; S7-V11 VanDerWaalsContact O-CG2 3.31Å; S7-V11 WeakPolarHBondContact O-CG2 3.34Å; S7-V11 PolarHBondContact O-N 2.92Å; S7-V11 VanDerWaalsContact O-N 3.08Å |
| 8 | I | 47.1 | Very low | 48.7 | Very low | 105 Ų | 105 | 111.9 Ų | 111.9 | 54% | 0.538 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.6 | -36.9 | 177 | -60.6 | 173 | 0 | 0 | 0 | 110.8 | N12 | I8-N12 WeakPolarHBondContact O-CB 3.27Å; I8-N12 PolarHBondContact O-N 2.9Å |
| 9 | R | 48.1 | Very low | 48.8 | Very low | 186 Ų | 186 | 112.2 Ų | 112.2 | 70% | 0.702 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.3 | -39.8 | 175.3 | -81.7 | -174.5 | 179.2 | 179 | 1 | 112.9 | L5 S6 S7 N12 S13 | L5-R9 PolarHBondContact O-N 3.3Å; S6-R9 PolarHBondContact O-N 3.11Å; S7-R9 VanDerWaalsContact C-N 3.33Å; S7-R9 PolarHBondContact O-N 3.26Å; R9-N12 PolarHBondContact O-N 3.06Å; R9-S13 PolarHBondContact O-N 3.49Å |
| 10 | S | 49.1 | Very low | 49 | Very low | 55 Ų | 55 | 109 Ų | 109 | 39% | 0.385 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.4 | -42.1 | 178.4 | 65.1 | 0 | 0 | 0 | 0 | 111.7 | S6 S7 N12 S13 E14 | S6-S10 PolarHBondContact O-N 3.12Å; S6-S10 VanDerWaalsContact O-N 3.13Å; S7-S10 PolarHBondContact O-N 3.12Å; S7-S10 PolarHBondContact O-OG 3.39Å; S10-N12 VanDerWaalsContact C-N 3.35Å; S10-N12 PolarHBondContact O-N 3.27Å; S10-S13 PolarHBondContact O-N 3.4Å; S10-S13 PolarHBondContact O-OG 2.74Å; S10-E14 PolarHBondContact O-N 2.95Å |
| 11 | V | 53 | Low | 49.4 | Very low | 85 Ų | 85 | 109.5 Ų | 109.5 | 52% | 0.515 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.3 | -41 | 176.2 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | S7 E14 T15 | S7-V11 VanDerWaalsContact O-CG2 3.31Å; S7-V11 WeakPolarHBondContact O-CG2 3.34Å; S7-V11 PolarHBondContact O-N 2.92Å; S7-V11 VanDerWaalsContact O-N 3.08Å; V11-E14 PolarHBondContact O-N 3.37Å; V11-T15 WeakPolarHBondContact O-CB 3.47Å; V11-T15 PolarHBondContact O-N 3.22Å; V11-T15 PolarHBondContact O-OG1 3.48Å |
| 12 | N | 50.9 | Low | 50 | Low | 103 Ų | 103 | 101.4 Ų | 101.4 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.1 | -40.7 | 173.7 | -93.1 | 1.9 | 0 | 0 | 0 | 112.3 | I8 R9 S10 E14 T15 T16 | I8-N12 WeakPolarHBondContact O-CB 3.27Å; I8-N12 PolarHBondContact O-N 2.9Å; R9-N12 PolarHBondContact O-N 3.06Å; S10-N12 VanDerWaalsContact C-N 3.35Å; S10-N12 PolarHBondContact O-N 3.27Å; N12-E14 PolarHBondContact O-N 3.43Å; N12-T15 PolarHBondContact O-N 2.74Å; N12-T16 WeakPolarHBondContact O-CB 3.45Å; N12-T16 PolarHBondContact O-N 3.04Å; N12-T16 PolarHBondContact O-OG1 3.42Å |
| 13 | S | 52.1 | Low | 51 | Low | 71 Ų | 71 | 99.3 Ų | 99.3 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 177.8 | 65.9 | 0 | 0 | 0 | 0 | 112.7 | R9 S10 T16 S17 | R9-S13 PolarHBondContact O-N 3.49Å; S10-S13 PolarHBondContact O-N 3.4Å; S10-S13 PolarHBondContact O-OG 2.74Å; S13-T16 PolarHBondContact O-N 2.91Å; S13-S17 WeakPolarHBondContact O-CB 3.49Å; S13-S17 PolarHBondContact O-N 3.42Å |
| 14 | E | 53.9 | Low | 52.3 | Low | 103 Ų | 103 | 96 Ų | 96 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.5 | -37.8 | 176.4 | -75.9 | -174.6 | -169.9 | 0 | 0 | 112.2 | S10 V11 N12 T16 S17 R18 | S10-E14 PolarHBondContact O-N 2.95Å; V11-E14 PolarHBondContact O-N 3.37Å; N12-E14 PolarHBondContact O-N 3.43Å; E14-T16 VanDerWaalsContact C-N 3.34Å; E14-S17 PolarHBondContact O-N 2.89Å; E14-S17 PolarHBondContact O-OG 3.43Å; E14-R18 WeakPolarHBondContact O-CB 3.15Å; E14-R18 VanDerWaalsContact O-CG 3.32Å; E14-R18 WeakPolarHBondContact O-CG 3.22Å; E14-R18 PolarHBondContact O-N 2.99Å; E14-R18 IonicContact OE2-NH2 3.74Å |
| 15 | T | 52.6 | Low | 53.4 | Low | 82 Ų | 82 | 94.5 Ų | 94.5 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 177.6 | -48.4 | 0 | 0 | 0 | 0 | 110.5 | V11 N12 L19 | V11-T15 WeakPolarHBondContact O-CB 3.47Å; V11-T15 PolarHBondContact O-N 3.22Å; V11-T15 PolarHBondContact O-OG1 3.48Å; N12-T15 PolarHBondContact O-N 2.74Å; T15-L19 WeakPolarHBondContact O-CB 3.27Å; T15-L19 PolarHBondContact O-N 3.3Å |
| 16 | T | 54.5 | Low | 54.5 | Low | 94 Ų | 94 | 94.6 Ų | 94.6 | 58% | 0.577 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.5 | -38.8 | 177 | -39.7 | 0 | 0 | 0 | 0 | 111.5 | N12 S13 E14 L19 A20 | N12-T16 WeakPolarHBondContact O-CB 3.45Å; N12-T16 PolarHBondContact O-N 3.04Å; N12-T16 PolarHBondContact O-OG1 3.42Å; S13-T16 PolarHBondContact O-N 2.91Å; E14-T16 VanDerWaalsContact C-N 3.34Å; T16-L19 PolarHBondContact O-N 3.26Å; T16-A20 WeakPolarHBondContact O-CB 3.29Å; T16-A20 PolarHBondContact O-N 2.88Å |
| 17 | S | 53.5 | Low | 55.4 | Low | 53 Ų | 53 | 96.8 Ų | 96.8 | 37% | 0.371 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.6 | -43.9 | 176.5 | 75.6 | 0 | 0 | 0 | 0 | 111.7 | S13 E14 L19 A20 E21 | S13-S17 WeakPolarHBondContact O-CB 3.49Å; S13-S17 PolarHBondContact O-N 3.42Å; E14-S17 PolarHBondContact O-N 2.89Å; E14-S17 PolarHBondContact O-OG 3.43Å; S17-L19 VanDerWaalsContact C-N 3.33Å; S17-L19 PolarHBondContact O-N 2.97Å; S17-A20 PolarHBondContact O-N 2.66Å; S17-E21 WeakPolarHBondContact O-CB 3.5Å; S17-E21 WeakPolarHBondContact O-CG 3.46Å; S17-E21 PolarHBondContact O-N 3.18Å |
| 18 | R | 52.1 | Low | 56.5 | Low | 159 Ų | 159 | 98.8 Ų | 98.8 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64 | -37.1 | 175.4 | -71.9 | -178.1 | -165.4 | -178.5 | 9.4 | 112.3 | E14 E21 T22 | E14-R18 WeakPolarHBondContact O-CB 3.15Å; E14-R18 VanDerWaalsContact O-CG 3.32Å; E14-R18 WeakPolarHBondContact O-CG 3.22Å; E14-R18 PolarHBondContact O-N 2.99Å; E14-R18 IonicContact OE2-NH2 3.74Å; R18-E21 PolarHBondContact O-N 3.21Å; R18-T22 WeakPolarHBondContact O-CB 3.47Å; R18-T22 WeakPolarHBondContact O-CG2 3.45Å; R18-T22 PolarHBondContact O-N 3.17Å; R18-T22 PolarHBondContact O-OG1 3.22Å |
| 19 | L | 49.7 | Very low | 57.5 | Low | 117 Ų | 117 | 99.3 Ų | 99.3 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.8 | -39.2 | 174.6 | -161 | 75.5 | 0 | 0 | 0 | 111.4 | T15 T16 S17 T22 T23 | T15-L19 WeakPolarHBondContact O-CB 3.27Å; T15-L19 PolarHBondContact O-N 3.3Å; T16-L19 PolarHBondContact O-N 3.26Å; S17-L19 VanDerWaalsContact C-N 3.33Å; S17-L19 PolarHBondContact O-N 2.97Å; L19-T22 WeakPolarHBondContact CA-OG1 3.3Å; L19-T22 PolarHBondContact O-OG1 2.99Å; L19-T23 WeakPolarHBondContact O-CB 2.99Å; L19-T23 WeakPolarHBondContact O-CG2 3.41Å; L19-T23 PolarHBondContact O-N 3.2Å; L19-T23 PolarHBondContact O-OG1 3.41Å |
| 20 | A | 53.8 | Low | 58.4 | Low | 49 Ų | 49 | 96 Ų | 96 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | T16 S17 T23 T24 | T16-A20 WeakPolarHBondContact O-CB 3.29Å; T16-A20 PolarHBondContact O-N 2.88Å; S17-A20 PolarHBondContact O-N 2.66Å; A20-T23 WeakPolarHBondContact CA-OG1 3.3Å; A20-T23 PolarHBondContact O-OG1 3.19Å; A20-T24 WeakPolarHBondContact O-CB 3.48Å; A20-T24 PolarHBondContact O-N 3.17Å; A20-T24 PolarHBondContact O-OG1 2.96Å |
| 21 | E | 56.7 | Low | 59.4 | Low | 119 Ų | 119 | 96.5 Ų | 96.5 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.3 | -48.9 | 175.3 | -75.9 | 170.7 | -177.1 | 0 | 0 | 111.3 | S17 R18 T23 T24 E25 | S17-E21 WeakPolarHBondContact O-CB 3.5Å; S17-E21 WeakPolarHBondContact O-CG 3.46Å; S17-E21 PolarHBondContact O-N 3.18Å; R18-E21 PolarHBondContact O-N 3.21Å; E21-T23 PolarHBondContact O-N 3.22Å; E21-T24 WeakPolarHBondContact O-CB 3.09Å; E21-T24 PolarHBondContact O-N 2.86Å; E21-T24 VanDerWaalsContact O-N 3.1Å; E21-E25 PolarHBondContact O-N 3.37Å |
| 22 | T | 56.2 | Low | 60.4 | Low | 63 Ų | 63 | 98.6 Ų | 98.6 | 39% | 0.387 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 178.3 | 45.5 | 0 | 0 | 0 | 0 | 112.7 | R18 L19 T24 E25 Q26 | R18-T22 WeakPolarHBondContact O-CB 3.47Å; R18-T22 WeakPolarHBondContact O-CG2 3.45Å; R18-T22 PolarHBondContact O-N 3.17Å; R18-T22 PolarHBondContact O-OG1 3.22Å; L19-T22 WeakPolarHBondContact CA-OG1 3.3Å; L19-T22 PolarHBondContact O-OG1 2.99Å; T22-T24 VanDerWaalsContact C-N 3.33Å; T22-E25 PolarHBondContact O-N 3.02Å; T22-Q26 WeakPolarHBondContact O-CB 3.49Å; T22-Q26 VanDerWaalsContact O-CG 3.24Å; T22-Q26 WeakPolarHBondContact O-CG 3.37Å; T22-Q26 PolarHBondContact O-N 3.2Å |
| 23 | T | 66.5 | Low | 61.5 | Low | 75 Ų | 75 | 96.2 Ų | 96.2 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.8 | -34.8 | 173.1 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | L19 A20 E21 H27 | L19-T23 WeakPolarHBondContact O-CB 2.99Å; L19-T23 WeakPolarHBondContact O-CG2 3.41Å; L19-T23 PolarHBondContact O-N 3.2Å; L19-T23 PolarHBondContact O-OG1 3.41Å; A20-T23 WeakPolarHBondContact CA-OG1 3.3Å; A20-T23 PolarHBondContact O-OG1 3.19Å; E21-T23 PolarHBondContact O-N 3.22Å; T23-H27 VanDerWaalsContact O-CB 3.3Å; T23-H27 WeakPolarHBondContact O-CB 3.25Å; T23-H27 PolarHBondContact O-N 2.76Å |
| 24 | T | 67.8 | Low | 62.6 | Low | 81 Ų | 81 | 95.5 Ų | 95.5 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.6 | -45.6 | 175.7 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | A20 E21 T22 H27 E28 | A20-T24 WeakPolarHBondContact O-CB 3.48Å; A20-T24 PolarHBondContact O-N 3.17Å; A20-T24 PolarHBondContact O-OG1 2.96Å; E21-T24 WeakPolarHBondContact O-CB 3.09Å; E21-T24 PolarHBondContact O-N 2.86Å; E21-T24 VanDerWaalsContact O-N 3.1Å; T22-T24 VanDerWaalsContact C-N 3.33Å; T24-H27 PolarHBondContact O-N 3.1Å; T24-E28 PolarHBondContact O-N 3.3Å |
| 25 | E | 68.6 | Low | 63.6 | Low | 126 Ų | 126 | 94.9 Ų | 94.9 | 59% | 0.589 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.8 | -43.7 | 175.2 | -72.8 | -176.2 | 165.1 | 0 | 0 | 112.1 | E21 T22 H27 E28 L29 | E21-E25 PolarHBondContact O-N 3.37Å; T22-E25 PolarHBondContact O-N 3.02Å; E25-H27 VanDerWaalsContact C-N 3.34Å; E25-H27 PolarHBondContact O-N 2.92Å; E25-E28 PolarHBondContact O-N 3.24Å; E25-L29 WeakPolarHBondContact O-CB 3.49Å; E25-L29 WeakPolarHBondContact O-CG 3.29Å; E25-L29 PolarHBondContact O-N 3.24Å |
| 26 | Q | 65.1 | Low | 64.9 | Low | 121 Ų | 121 | 94.2 Ų | 94.2 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.3 | -43 | 174.8 | -76.6 | 178.5 | -7.9 | 0 | 0 | 111.6 | T22 L29 L30 | T22-Q26 WeakPolarHBondContact O-CB 3.49Å; T22-Q26 VanDerWaalsContact O-CG 3.24Å; T22-Q26 WeakPolarHBondContact O-CG 3.37Å; T22-Q26 PolarHBondContact O-N 3.2Å; Q26-L29 PolarHBondContact O-N 3.12Å; Q26-L30 WeakPolarHBondContact O-CB 3.38Å; Q26-L30 VanDerWaalsContact O-CG 3.31Å; Q26-L30 WeakPolarHBondContact O-CG 3.22Å; Q26-L30 PolarHBondContact O-N 2.95Å |
| 27 | H | 64.8 | Low | 66 | Low | 125 Ų | 125 | 95.6 Ų | 95.6 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.7 | -40.1 | 177.4 | -170.8 | 69.2 | 0 | 0 | 0 | 112 | T23 T24 E25 T31 | T23-H27 VanDerWaalsContact O-CB 3.3Å; T23-H27 WeakPolarHBondContact O-CB 3.25Å; T23-H27 PolarHBondContact O-N 2.76Å; T24-H27 PolarHBondContact O-N 3.1Å; E25-H27 VanDerWaalsContact C-N 3.34Å; E25-H27 PolarHBondContact O-N 2.92Å; H27-T31 WeakPolarHBondContact O-CB 3.45Å; H27-T31 PolarHBondContact O-N 3.35Å; H27-T31 PolarHBondContact O-OG1 3.43Å |
| 28 | E | 70 | Confident | 67.2 | Low | 103 Ų | 103 | 98.4 Ų | 98.4 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 173.6 | -78.6 | -163.1 | -173.6 | 0 | 0 | 112.5 | T24 E25 T31 K32 | T24-E28 PolarHBondContact O-N 3.3Å; E25-E28 PolarHBondContact O-N 3.24Å; E28-T31 PolarHBondContact O-N 2.98Å; E28-K32 WeakPolarHBondContact O-CB 3.01Å; E28-K32 VanDerWaalsContact O-CG 3.25Å; E28-K32 WeakPolarHBondContact O-CG 3.45Å; E28-K32 PolarHBondContact O-N 2.94Å; E28-K32 IonicContact OE2-NZ 3.76Å; E28-K32 PolarHBondContact OE2-NZ 3.11Å |
| 29 | L | 68.9 | Low | 68.5 | Low | 115 Ų | 115 | 92 Ų | 92 | 60% | 0.602 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.4 | -45.7 | 177.1 | -80.4 | 160.5 | 0 | 0 | 0 | 111.4 | E25 Q26 T31 K32 S33 | E25-L29 WeakPolarHBondContact O-CB 3.49Å; E25-L29 WeakPolarHBondContact O-CG 3.29Å; E25-L29 PolarHBondContact O-N 3.24Å; Q26-L29 PolarHBondContact O-N 3.12Å; L29-T31 PolarHBondContact O-N 3.3Å; L29-K32 PolarHBondContact O-N 2.93Å; L29-S33 VanDerWaalsContact O-CB 3.3Å; L29-S33 WeakPolarHBondContact O-CB 3.4Å; L29-S33 PolarHBondContact O-N 3.39Å |
| 30 | L | 66.7 | Low | 70 | Confident | 118 Ų | 118 | 88.4 Ų | 88.4 | 62% | 0.618 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 175.3 | -74.2 | 168.6 | 0 | 0 | 0 | 111.6 | Q26 S33 A34 | Q26-L30 WeakPolarHBondContact O-CB 3.38Å; Q26-L30 VanDerWaalsContact O-CG 3.31Å; Q26-L30 WeakPolarHBondContact O-CG 3.22Å; Q26-L30 PolarHBondContact O-N 2.95Å; L30-S33 PolarHBondContact O-N 3.49Å; L30-A34 WeakPolarHBondContact O-CB 3.43Å; L30-A34 PolarHBondContact O-N 3.47Å |
| 31 | T | 69.7 | Low | 71.2 | Confident | 65 Ų | 65 | 89 Ų | 89 | 40% | 0.399 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 178 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | H27 E28 L29 T35 | H27-T31 WeakPolarHBondContact O-CB 3.45Å; H27-T31 PolarHBondContact O-N 3.35Å; H27-T31 PolarHBondContact O-OG1 3.43Å; E28-T31 PolarHBondContact O-N 2.98Å; L29-T31 PolarHBondContact O-N 3.3Å; T31-T35 WeakPolarHBondContact O-CB 3.33Å; T31-T35 PolarHBondContact O-N 3.2Å; T31-T35 PolarHBondContact O-OG1 3.02Å |
| 32 | K | 74.5 | Confident | 72.3 | Confident | 128 Ų | 128 | 84.6 Ų | 84.6 | 56% | 0.557 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.4 | -43.7 | 174 | -74.7 | 168.7 | -172.7 | 159.1 | 0 | 110.8 | E28 L29 T35 F36 | E28-K32 WeakPolarHBondContact O-CB 3.01Å; E28-K32 VanDerWaalsContact O-CG 3.25Å; E28-K32 WeakPolarHBondContact O-CG 3.45Å; E28-K32 PolarHBondContact O-N 2.94Å; E28-K32 IonicContact OE2-NZ 3.76Å; E28-K32 PolarHBondContact OE2-NZ 3.11Å; L29-K32 PolarHBondContact O-N 2.93Å; K32-T35 PolarHBondContact O-N 2.84Å; K32-F36 VanDerWaalsContact O-CB 3.31Å; K32-F36 WeakPolarHBondContact O-CB 3.45Å; K32-F36 PolarHBondContact O-N 2.88Å |
| 33 | S | 74.2 | Confident | 73.4 | Confident | 54 Ų | 54 | 83 Ų | 83 | 38% | 0.378 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 112 | L29 L30 T35 F36 E37 | L29-S33 VanDerWaalsContact O-CB 3.3Å; L29-S33 WeakPolarHBondContact O-CB 3.4Å; L29-S33 PolarHBondContact O-N 3.39Å; L30-S33 PolarHBondContact O-N 3.49Å; S33-T35 VanDerWaalsContact C-N 3.32Å; S33-T35 PolarHBondContact O-N 3.48Å; S33-F36 WeakPolarHBondContact O-CB 3.47Å; S33-F36 PolarHBondContact O-N 3.14Å; S33-F36 VanDerWaalsContact O-N 3.16Å; S33-E37 WeakPolarHBondContact O-CG 3.48Å; S33-E37 PolarHBondContact O-N 3.39Å |
| 34 | A | 75.8 | Confident | 74 | Confident | 56 Ų | 56 | 86.6 Ų | 86.6 | 46% | 0.463 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L30 R38 | L30-A34 WeakPolarHBondContact O-CB 3.43Å; L30-A34 PolarHBondContact O-N 3.47Å; A34-R38 WeakPolarHBondContact O-CB 3.41Å; A34-R38 PolarHBondContact O-N 3.18Å |
| 35 | T | 75 | Confident | 74.6 | Confident | 90 Ų | 90 | 84.7 Ų | 84.7 | 55% | 0.552 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66 | -41 | 175.2 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | T31 K32 S33 R38 A39 | T31-T35 WeakPolarHBondContact O-CB 3.33Å; T31-T35 PolarHBondContact O-N 3.2Å; T31-T35 PolarHBondContact O-OG1 3.02Å; K32-T35 PolarHBondContact O-N 2.84Å; S33-T35 VanDerWaalsContact C-N 3.32Å; S33-T35 PolarHBondContact O-N 3.48Å; T35-R38 PolarHBondContact O-N 2.83Å; T35-A39 WeakPolarHBondContact O-CB 3.43Å; T35-A39 PolarHBondContact O-N 3.36Å |
| 36 | F | 79.7 | Confident | 75.3 | Confident | 68 Ų | 68 | 80.3 Ų | 80.3 | 30% | 0.298 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.3 | -49.6 | 175.7 | -178.8 | -81.6 | 0 | 0 | 0 | 111.4 | K32 S33 R38 A39 L40 P616 E617 M620 | K32-F36 VanDerWaalsContact O-CB 3.31Å; K32-F36 WeakPolarHBondContact O-CB 3.45Å; K32-F36 PolarHBondContact O-N 2.88Å; S33-F36 WeakPolarHBondContact O-CB 3.47Å; S33-F36 PolarHBondContact O-N 3.14Å; S33-F36 VanDerWaalsContact O-N 3.16Å; F36-R38 VanDerWaalsContact C-N 3.32Å; F36-R38 PolarHBondContact O-N 2.63Å; F36-A39 PolarHBondContact O-N 2.92Å; F36-L40 HydrophobicContact CE1-CD2 4.36Å; F36-L40 WeakPolarHBondContact O-CB 3.38Å; F36-L40 PolarHBondContact O-N 3.17Å; F36-P616 HydrophobicContact CD1-CG 4.38Å; F36-P616 HydrophobicContact CD2-CB 3.39Å; F36-P616 HydrophobicContact CD2-CG 3.64Å; F36-P616 HydrophobicContact CE1-CG 4.2Å; F36-P616 HydrophobicContact CE2-CB 3.47Å; F36-P616 VanDerWaalsContact CE2-CB 3.47Å; F36-P616 HydrophobicContact CE2-CG 3.43Å; F36-P616 VanDerWaalsContact CE2-CG 3.43Å; F36-P616 HydrophobicContact CG-CB 4.15Å; F36-P616 HydrophobicContact CG-CG 4.1Å; F36-P616 HydrophobicContact CZ-CB 4.29Å; F36-P616 HydrophobicContact CZ-CG 3.72Å; F36-E617 HydrophobicContact CE2-CG 4.28Å; F36-E617 HydrophobicContact CZ-CG 4.09Å; F36-M620 HydrophobicContact CE2-CE 4.07Å |
| 37 | E | 77.5 | Confident | 76.1 | Confident | 123 Ų | 123 | 75.7 Ų | 75.7 | 58% | 0.575 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.5 | -42.5 | 178 | -74.1 | -177.6 | 178 | 0 | 0 | 111.7 | S33 L40 C41 | S33-E37 WeakPolarHBondContact O-CG 3.48Å; S33-E37 PolarHBondContact O-N 3.39Å; E37-L40 PolarHBondContact O-N 3.19Å; E37-C41 WeakPolarHBondContact O-CB 3.26Å; E37-C41 PolarHBondContact O-N 2.82Å |
| 38 | R | 78.6 | Confident | 77.4 | Confident | 112 Ų | 112 | 73.4 Ų | 73.4 | 42% | 0.423 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 175.8 | -172.7 | 174.7 | -179.3 | -179.5 | -2 | 111.7 | A34 T35 F36 L40 C41 L42 H444 F448 | A34-R38 WeakPolarHBondContact O-CB 3.41Å; A34-R38 PolarHBondContact O-N 3.18Å; T35-R38 PolarHBondContact O-N 2.83Å; F36-R38 VanDerWaalsContact C-N 3.32Å; F36-R38 PolarHBondContact O-N 2.63Å; R38-L40 VanDerWaalsContact C-N 3.34Å; R38-L40 PolarHBondContact O-N 3.16Å; R38-C41 PolarHBondContact O-N 3.48Å; R38-L42 HydrophobicContact CG-CD1 4.42Å; R38-L42 VanDerWaalsContact O-CG 3.26Å; R38-L42 WeakPolarHBondContact O-CG 3.44Å; R38-L42 PolarHBondContact O-N 2.98Å; R38-H444 PolarHBondContact NH2-O 3.17Å; R38-F448 HydrophobicContact CG-CZ 4.28Å |
| 39 | A | 78.9 | Confident | 78.5 | Confident | 23 Ų | 23 | 69 Ų | 69 | 19% | 0.19 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T35 F36 C41 L42 D43 P616 | T35-A39 WeakPolarHBondContact O-CB 3.43Å; T35-A39 PolarHBondContact O-N 3.36Å; F36-A39 PolarHBondContact O-N 2.92Å; A39-C41 VanDerWaalsContact C-N 3.34Å; A39-C41 PolarHBondContact O-N 3Å; A39-L42 PolarHBondContact O-N 3.39Å; A39-D43 PolarHBondContact O-N 3.43Å; A39-P616 HydrophobicContact CB-CB 4.39Å; A39-P616 HydrophobicContact CB-CG 4.37Å |
| 40 | L | 80.4 | Confident | 79.4 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 23% | 0.225 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 176 | -171.1 | 67.5 | 0 | 0 | 0 | 112 | F36 E37 R38 K44 P616 | F36-L40 HydrophobicContact CE1-CD2 4.36Å; F36-L40 WeakPolarHBondContact O-CB 3.38Å; F36-L40 PolarHBondContact O-N 3.17Å; E37-L40 PolarHBondContact O-N 3.19Å; R38-L40 VanDerWaalsContact C-N 3.34Å; R38-L40 PolarHBondContact O-N 3.16Å; L40-K44 HydrophobicContact CG-CD 4.32Å; L40-K44 WeakPolarHBondContact O-CB 3.34Å; L40-K44 VanDerWaalsContact O-CG 3.31Å; L40-K44 WeakPolarHBondContact O-CG 3.43Å; L40-K44 PolarHBondContact O-N 2.98Å; L40-P616 HydrophobicContact CB-CG 4.45Å |
| 41 | C | 79.4 | Confident | 80.7 | Confident | 61 Ų | 61 | 67.1 Ų | 67.1 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 175.3 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | E37 R38 A39 K44 A45 | E37-C41 WeakPolarHBondContact O-CB 3.26Å; E37-C41 PolarHBondContact O-N 2.82Å; R38-C41 PolarHBondContact O-N 3.48Å; A39-C41 VanDerWaalsContact C-N 3.34Å; A39-C41 PolarHBondContact O-N 3Å; C41-K44 PolarHBondContact O-N 3.45Å; C41-A45 VanDerWaalsContact O-CB 3.28Å; C41-A45 WeakPolarHBondContact O-CB 3.3Å; C41-A45 PolarHBondContact O-N 3.05Å |
| 42 | L | 79.4 | Confident | 81.8 | Confident | 26 Ų | 26 | 68 Ų | 68 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 176.3 | -69.9 | 170.6 | 0 | 0 | 0 | 111.5 | R38 A39 A45 R46 L443 F448 | R38-L42 HydrophobicContact CG-CD1 4.42Å; R38-L42 VanDerWaalsContact O-CG 3.26Å; R38-L42 WeakPolarHBondContact O-CG 3.44Å; R38-L42 PolarHBondContact O-N 2.98Å; A39-L42 PolarHBondContact O-N 3.39Å; L42-A45 PolarHBondContact O-N 2.89Å; L42-R46 PolarHBondContact O-N 3.38Å; L42-L443 HydrophobicContact CD2-CB 3.46Å; L42-L443 VanDerWaalsContact CD2-CB 3.46Å; L42-L443 HydrophobicContact CD2-CD1 4.11Å; L42-L443 HydrophobicContact CD2-CG 4.3Å; L42-F448 HydrophobicContact CD2-CE1 3.75Å; L42-F448 HydrophobicContact CD2-CZ 3.94Å; L42-F448 HydrophobicContact CG-CE1 4.4Å; L42-F448 HydrophobicContact CG-CZ 4.44Å |
| 43 | D | 78.9 | Confident | 82.7 | Confident | 29 Ų | 29 | 65.9 Ų | 65.9 | 16% | 0.155 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 178.3 | -169.1 | 50 | 0 | 0 | 0 | 111.4 | A39 A45 R46 N615 | A39-D43 PolarHBondContact O-N 3.43Å; D43-A45 VanDerWaalsContact C-N 3.34Å; D43-A45 PolarHBondContact O-N 3.31Å; D43-R46 PolarHBondContact O-N 3.21Å; D43-N615 PolarHBondContact OD2-ND2 3.11Å; D43-N615 VanDerWaalsContact OD2-ND2 3.08Å |
| 44 | K | 80.5 | Confident | 83.7 | Confident | 152 Ų | 152 | 63.3 Ų | 63.3 | 66% | 0.661 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.9 | -34 | 177.4 | -73.8 | 177 | 180 | 177.1 | 0 | 113.4 | L40 C41 R46 | L40-K44 HydrophobicContact CG-CD 4.32Å; L40-K44 WeakPolarHBondContact O-CB 3.34Å; L40-K44 VanDerWaalsContact O-CG 3.31Å; L40-K44 WeakPolarHBondContact O-CG 3.43Å; L40-K44 PolarHBondContact O-N 2.98Å; C41-K44 PolarHBondContact O-N 3.45Å; K44-R46 PolarHBondContact O-N 3.14Å |
| 45 | A | 80.7 | Confident | 84.7 | Confident | 41 Ų | 41 | 60.7 Ų | 60.7 | 34% | 0.339 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.4 | -30.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C41 L42 D43 L443 | C41-A45 VanDerWaalsContact O-CB 3.28Å; C41-A45 WeakPolarHBondContact O-CB 3.3Å; C41-A45 PolarHBondContact O-N 3.05Å; L42-A45 PolarHBondContact O-N 2.89Å; D43-A45 VanDerWaalsContact C-N 3.34Å; D43-A45 PolarHBondContact O-N 3.31Å; A45-L443 HydrophobicContact CB-CD1 4.33Å |
| 46 | R | 82.7 | Confident | 85.7 | Confident | 34 Ų | 34 | 58.2 Ų | 58.2 | 13% | 0.128 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -76.9 | -38.2 | 177.8 | -64.6 | -170.5 | 71.9 | -143.2 | -13 | 112.1 | L42 D43 K44 S111 R112 S338 Y339 D440 | L42-R46 PolarHBondContact O-N 3.38Å; D43-R46 PolarHBondContact O-N 3.21Å; K44-R46 PolarHBondContact O-N 3.14Å; R46-S111 PolarHBondContact NH1-O 3.44Å; R46-R112 VanDerWaalsContact NH1-CA 3.29Å; R46-S338 PolarHBondContact NH1-OG 3.15Å; R46-S338 PolarHBondContact NH2-OG 2.86Å; R46-Y339 HydrophobicContact CB-CE1 4.24Å; R46-D440 WeakPolarHBondContact CD-OD1 3.29Å; R46-D440 IonicContact CZ-OD1 2.87Å; R46-D440 IonicContact CZ-OD2 3.3Å; R46-D440 IonicContact NE-OD1 3.38Å; R46-D440 PolarHBondContact NE-OD1 3.24Å; R46-D440 IonicContact NE-OD2 2.92Å |
| 47 | G | 82.3 | Confident | 86.5 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 24% | 0.237 | 29% | 0.285 | C | S | . | . | trans | 72.8 | -176.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y339 | G47-Y339 WeakPolarHBondContact O-CD1 3.38Š| ||
| 48 | Q | 90.9 | Very high | 87.3 | Confident | 77 Ų | 77 | 50 Ų | 50 | 36% | 0.36 | 26% | 0.258 | S | S | . | . | trans | -137.9 | 167.4 | -177.7 | -71.3 | 177.7 | -7.3 | 0 | 0 | 110.3 | S50 Y339 | Q48-S50 PolarHBondContact O-N 3.45Å; Q48-Y339 VanDerWaalsContact CA-O 3.29Å; Q48-Y339 WeakPolarHBondContact CA-O 3.04Å; Q48-Y339 WeakPolarHBondContact CB-O 3.45Å | ||
| 49 | W | 92.8 | Very high | 88.1 | Confident | 11 Ų | 11 | 44.7 Ų | 44.7 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | trans | -55.1 | 133.3 | 168.2 | -63.6 | 113.9 | 0 | 0 | 0 | 110.9 | K51 D54 Y55 S58 V263 M336 Y339 | W49-K51 VanDerWaalsContact C-N 3.34Å; W49-D54 HydrophobicContact CE3-CB 3.93Å; W49-Y55 HydrophobicContact CZ2-CD2 4.35Å; W49-Y55 AromaticContact NE1-CD2 3.5Å; W49-Y55 AromaticContact NE1-CG 3.97Å; W49-S58 WeakPolarHBondContact CH2-OG 3.32Å; W49-V263 HydrophobicContact CD2-CB 4.36Å; W49-V263 HydrophobicContact CE3-CB 3.83Å; W49-V263 HydrophobicContact CH2-CB 3.73Å; W49-V263 HydrophobicContact CH2-CG1 3.6Å; W49-V263 HydrophobicContact CZ2-CB 4.26Å; W49-V263 HydrophobicContact CZ2-CG1 3.91Å; W49-V263 HydrophobicContact CZ3-CB 3.51Å; W49-V263 HydrophobicContact CZ3-CG1 3.95Å; W49-V263 WeakPolarHBondContact CZ3-O 3.41Å; W49-M336 HydrophobicContact CH2-SD 3.68Å; W49-M336 HydrophobicContact CZ2-CB 4.34Å; W49-M336 HydrophobicContact CZ2-SD 3.46Å; W49-M336 WeakPolarHBondContact CZ2-SD 3.25Å; W49-M336 PolarHBondContact NE1-O 2.98Å; W49-Y339 PolarHBondContact N-O 2.93Å | ||
| 50 | S | 89.7 | Confident | 88.9 | Confident | 62 Ų | 62 | 44.7 Ų | 44.7 | 43% | 0.434 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -70.4 | -36.4 | -179.9 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | Q48 | Q48-S50 PolarHBondContact O-N 3.45Š|
| 51 | K | 92.5 | Very high | 89.5 | Confident | 132 Ų | 132 | 42.7 Ų | 42.7 | 57% | 0.574 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -136.9 | 154.7 | 175.3 | -56.6 | -179.3 | 178.9 | -180 | 0 | 109.9 | W49 L53 D54 | W49-K51 VanDerWaalsContact C-N 3.34Å; K51-L53 PolarHBondContact O-N 3.06Å; K51-D54 PolarHBondContact N-OD2 3.42Å; K51-D54 WeakPolarHBondContact O-CB 3.49Å; K51-D54 PolarHBondContact O-N 3.07Å; K51-D54 VanDerWaalsContact O-N 3.17Å |
| 52 | K | 92.5 | Very high | 90.2 | Very high | 83 Ų | 83 | 40.5 Ų | 40.5 | 36% | 0.361 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.3 | -36.7 | 173.4 | 178.1 | 165.6 | 178.7 | 139.9 | 0 | 112.3 | D54 Y55 L56 N344 D349 | K52-D54 VanDerWaalsContact C-N 3.26Å; K52-D54 PolarHBondContact O-N 3.41Å; K52-Y55 WeakPolarHBondContact O-CB 3.37Å; K52-Y55 PolarHBondContact O-N 2.88Å; K52-L56 HydrophobicContact CG-CD1 4.15Å; K52-L56 HydrophobicContact CG-CG 4.23Å; K52-L56 WeakPolarHBondContact O-CG 3.37Å; K52-L56 PolarHBondContact O-N 3.03Å; K52-L56 VanDerWaalsContact O-N 3.07Å; K52-N344 PolarHBondContact NZ-OD1 2.74Å; K52-D349 WeakPolarHBondContact CE-OD1 3.29Å; K52-D349 VanDerWaalsContact NZ-CG 3.34Å; K52-D349 IonicContact NZ-OD1 2.85Å; K52-D349 PolarHBondContact NZ-OD1 3.07Å; K52-D349 IonicContact NZ-OD2 2.84Å; K52-D349 PolarHBondContact NZ-OD2 3.36Å; K52-D349 VanDerWaalsContact NZ-OD2 3.07Å |
| 53 | L | 95 | Very high | 90.7 | Very high | 83 Ų | 83 | 39.4 Ų | 39.4 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.1 | -32.3 | 179.2 | -173.9 | 60.5 | 0 | 0 | 0 | 112.4 | K51 Y55 L56 L57 Y271 | K51-L53 PolarHBondContact O-N 3.06Å; L53-Y55 VanDerWaalsContact C-N 3.3Å; L53-Y55 PolarHBondContact O-N 3.45Å; L53-L56 PolarHBondContact O-N 2.88Å; L53-L57 HydrophobicContact CD1-CD1 4.09Å; L53-L57 HydrophobicContact CD1-CD2 4.39Å; L53-L57 HydrophobicContact CD1-CG 3.87Å; L53-L57 HydrophobicContact CD2-CD1 4.48Å; L53-L57 HydrophobicContact CG-CD1 3.89Å; L53-L57 HydrophobicContact CG-CG 4.13Å; L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 WeakPolarHBondContact O-CG 3.39Å; L53-L57 PolarHBondContact O-N 3.28Å; L53-Y271 HydrophobicContact CD2-CE1 3.58Å; L53-Y271 HydrophobicContact CG-CE1 4.11Å |
| 54 | D | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 175.1 | -56.8 | 5.1 | 0 | 0 | 0 | 110.2 | W49 K51 K52 S58 K268 Y271 | W49-D54 HydrophobicContact CE3-CB 3.93Å; K51-D54 PolarHBondContact N-OD2 3.42Å; K51-D54 WeakPolarHBondContact O-CB 3.49Å; K51-D54 PolarHBondContact O-N 3.07Å; K51-D54 VanDerWaalsContact O-N 3.17Å; K52-D54 VanDerWaalsContact C-N 3.26Å; K52-D54 PolarHBondContact O-N 3.41Å; D54-S58 VanDerWaalsContact O-CB 3.31Å; D54-S58 WeakPolarHBondContact O-CB 3.28Å; D54-S58 PolarHBondContact O-N 2.92Å; D54-S58 VanDerWaalsContact O-N 3.09Å; D54-S58 PolarHBondContact O-OG 3.3Å; D54-K268 IonicContact OD1-NZ 2.9Å; D54-K268 PolarHBondContact OD1-NZ 3.26Å; D54-K268 IonicContact OD2-NZ 2.65Å; D54-K268 PolarHBondContact OD2-NZ 2.81Å; D54-Y271 WeakPolarHBondContact OD1-CE2 3.49Å; D54-Y271 PolarHBondContact OD1-OH 3.44Å |
| 55 | Y | 95.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.6 | -51.5 | 174.5 | 167.4 | -114.8 | 0 | 0 | 0 | 112.2 | W49 K52 L53 L57 S58 M59 M336 N340 D349 L353 | W49-Y55 HydrophobicContact CZ2-CD2 4.35Å; W49-Y55 AromaticContact NE1-CD2 3.5Å; W49-Y55 AromaticContact NE1-CG 3.97Å; K52-Y55 WeakPolarHBondContact O-CB 3.37Å; K52-Y55 PolarHBondContact O-N 2.88Å; L53-Y55 VanDerWaalsContact C-N 3.3Å; L53-Y55 PolarHBondContact O-N 3.45Å; Y55-L57 PolarHBondContact O-N 2.04Å; Y55-S58 PolarHBondContact O-N 3.09Å; Y55-M59 HydrophobicContact CD2-CG 3.81Å; Y55-M59 HydrophobicContact CD2-SD 4.41Å; Y55-M59 HydrophobicContact CE1-CG 4.38Å; Y55-M59 HydrophobicContact CE2-CE 4.19Å; Y55-M59 HydrophobicContact CE2-CG 3.36Å; Y55-M59 HydrophobicContact CE2-SD 3.66Å; Y55-M59 HydrophobicContact CG-CG 4.48Å; Y55-M59 WeakPolarHBondContact O-CG 3.3Å; Y55-M59 PolarHBondContact O-N 3.21Å; Y55-M336 HydrophobicContact CD2-CB 4.46Å; Y55-M336 HydrophobicContact CE2-CB 4.17Å; Y55-N340 WeakPolarHBondContact CD1-OD1 3.3Å; Y55-N340 VanDerWaalsContact CE1-ND2 3.33Å; Y55-N340 WeakPolarHBondContact CE1-ND2 3.46Å; Y55-N340 WeakPolarHBondContact CE2-ND2 3.07Å; Y55-N340 VanDerWaalsContact CZ-ND2 3.26Å; Y55-D349 HydrophobicContact CE1-CB 4.3Å; Y55-L353 HydrophobicContact CE1-CD1 4.15Å |
| 56 | L | 96.2 | Very high | 91.6 | Very high | 39 Ų | 39 | 30.5 Ų | 30.5 | 20% | 0.204 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.7 | -45 | -175.7 | -64.7 | 178.2 | 0 | 0 | 0 | 111.8 | K52 L53 M59 I60 D349 L353 | K52-L56 HydrophobicContact CG-CD1 4.15Å; K52-L56 HydrophobicContact CG-CG 4.23Å; K52-L56 WeakPolarHBondContact O-CG 3.37Å; K52-L56 PolarHBondContact O-N 3.03Å; K52-L56 VanDerWaalsContact O-N 3.07Å; L53-L56 PolarHBondContact O-N 2.88Å; L56-M59 PolarHBondContact O-N 3.4Å; L56-I60 WeakPolarHBondContact O-CG1 3.42Å; L56-I60 PolarHBondContact O-N 2.81Å; L56-D349 HydrophobicContact CD2-CB 4.45Å; L56-L353 HydrophobicContact CB-CD2 4.42Å; L56-L353 HydrophobicContact CD2-CD1 4Å; L56-L353 HydrophobicContact CD2-CD2 4.03Å; L56-L353 HydrophobicContact CD2-CG 4.11Å |
| 57 | L | 96 | Very high | 91.6 | Very high | 19 Ų | 19 | 30.1 Ų | 30.1 | 10% | 0.099 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.6 | -36.7 | 177 | -68 | 178.5 | 0 | 0 | 0 | 112.1 | L53 Y55 M59 I60 G61 V270 Y271 A274 T275 | L53-L57 HydrophobicContact CD1-CD1 4.09Å; L53-L57 HydrophobicContact CD1-CD2 4.39Å; L53-L57 HydrophobicContact CD1-CG 3.87Å; L53-L57 HydrophobicContact CD2-CD1 4.48Å; L53-L57 HydrophobicContact CG-CD1 3.89Å; L53-L57 HydrophobicContact CG-CG 4.13Å; L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 WeakPolarHBondContact O-CG 3.39Å; L53-L57 PolarHBondContact O-N 3.28Å; Y55-L57 PolarHBondContact O-N 2.04Å; L57-M59 VanDerWaalsContact C-N 3.31Å; L57-M59 PolarHBondContact O-N 3.37Å; L57-I60 HydrophobicContact CD2-CD1 4.48Å; L57-I60 PolarHBondContact O-N 3.37Å; L57-G61 PolarHBondContact O-N 2.74Å; L57-V270 HydrophobicContact CB-CB 4.15Å; L57-V270 HydrophobicContact CB-CG2 3.82Å; L57-Y271 HydrophobicContact CD1-CD1 3.97Å; L57-Y271 HydrophobicContact CD1-CD2 4.28Å; L57-Y271 HydrophobicContact CD1-CE1 4.16Å; L57-Y271 HydrophobicContact CD1-CE2 4.43Å; L57-Y271 HydrophobicContact CD1-CG 4.05Å; L57-A274 HydrophobicContact CB-CB 4.49Å; L57-T275 HydrophobicContact CD1-CG2 4.33Å; L57-T275 HydrophobicContact CD2-CG2 3.88Å |
| 58 | S | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.8 | -38 | 174.9 | -58.7 | 0 | 0 | 0 | 0 | 112 | W49 D54 Y55 Y62 | W49-S58 WeakPolarHBondContact CH2-OG 3.32Å; D54-S58 VanDerWaalsContact O-CB 3.31Å; D54-S58 WeakPolarHBondContact O-CB 3.28Å; D54-S58 PolarHBondContact O-N 2.92Å; D54-S58 VanDerWaalsContact O-N 3.09Å; D54-S58 PolarHBondContact O-OG 3.3Å; Y55-S58 PolarHBondContact O-N 3.09Å; S58-Y62 VanDerWaalsContact O-CB 3.26Å; S58-Y62 WeakPolarHBondContact O-CB 3.28Å; S58-Y62 PolarHBondContact O-N 2.89Å |
| 59 | M | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.1 | -45.3 | 174.8 | -65.3 | -67.4 | -83.6 | 0 | 0 | 110.9 | Y55 L56 L57 G61 Y62 S63 F100 L333 M336 L353 M357 | Y55-M59 HydrophobicContact CD2-CG 3.81Å; Y55-M59 HydrophobicContact CD2-SD 4.41Å; Y55-M59 HydrophobicContact CE1-CG 4.38Å; Y55-M59 HydrophobicContact CE2-CE 4.19Å; Y55-M59 HydrophobicContact CE2-CG 3.36Å; Y55-M59 HydrophobicContact CE2-SD 3.66Å; Y55-M59 HydrophobicContact CG-CG 4.48Å; Y55-M59 WeakPolarHBondContact O-CG 3.3Å; Y55-M59 PolarHBondContact O-N 3.21Å; L56-M59 PolarHBondContact O-N 3.4Å; L57-M59 VanDerWaalsContact C-N 3.31Å; L57-M59 PolarHBondContact O-N 3.37Å; M59-G61 PolarHBondContact O-N 3.37Å; M59-Y62 WeakPolarHBondContact O-CB 3.08Å; M59-Y62 PolarHBondContact O-N 3.11Å; M59-S63 PolarHBondContact O-N 3.41Å; M59-S63 VanDerWaalsContact O-N 3.07Å; M59-S63 PolarHBondContact O-OG 3.34Å; M59-F100 HydrophobicContact CE-CE1 4.11Å; M59-F100 HydrophobicContact CE-CE2 3.79Å; M59-F100 HydrophobicContact CE-CZ 3.33Å; M59-L333 HydrophobicContact CE-CD2 3.34Å; M59-L333 HydrophobicContact SD-CD2 4.42Å; M59-M336 HydrophobicContact SD-CB 3.44Å; M59-M336 WeakPolarHBondContact SD-CB 3.48Å; M59-M336 HydrophobicContact SD-CG 4.04Å; M59-L353 HydrophobicContact CB-CD1 3.75Å; M59-L353 HydrophobicContact CB-CD2 3.89Å; M59-L353 HydrophobicContact CB-CG 4.4Å; M59-L353 HydrophobicContact CE-CD1 4.46Å; M59-L353 HydrophobicContact CG-CD1 3.9Å; M59-M357 HydrophobicContact CB-CE 4Å; M59-M357 VanDerWaalsContact O-CE 3.22Å; M59-M357 WeakPolarHBondContact O-CE 3.38Å |
| 60 | I | 94.7 | Very high | 91.2 | Very high | 22 Ų | 22 | 25.3 Ų | 25.3 | 11% | 0.113 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.2 | -50.1 | 176.5 | -69.1 | 165.8 | 0 | 0 | 0 | 110.7 | L56 L57 Y62 S63 V64 Y278 L353 V356 | L56-I60 WeakPolarHBondContact O-CG1 3.42Å; L56-I60 PolarHBondContact O-N 2.81Å; L57-I60 HydrophobicContact CD2-CD1 4.48Å; L57-I60 PolarHBondContact O-N 3.37Å; I60-Y62 VanDerWaalsContact C-N 3.31Å; I60-Y62 PolarHBondContact O-N 3.11Å; I60-S63 PolarHBondContact O-N 3.46Å; I60-V64 HydrophobicContact CG2-CG2 4.08Å; I60-V64 VanDerWaalsContact O-CB 3.29Å; I60-V64 WeakPolarHBondContact O-CB 3.37Å; I60-V64 WeakPolarHBondContact O-CG2 3.47Å; I60-V64 PolarHBondContact O-N 2.86Å; I60-Y278 HydrophobicContact CG2-CE2 4.06Å; I60-Y278 WeakPolarHBondContact CG2-OH 3.43Å; I60-L353 HydrophobicContact CD1-CD2 4.32Å; I60-L353 HydrophobicContact CG1-CD2 3.82Å; I60-V356 HydrophobicContact CD1-CG1 4.04Å; I60-V356 HydrophobicContact CG1-CG1 4.24Å |
| 61 | G | 93.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.4 | -34.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L57 M59 D425 | L57-G61 PolarHBondContact O-N 2.74Å; M59-G61 PolarHBondContact O-N 3.37Å; G61-D425 WeakPolarHBondContact CA-OD2 3.3Å; G61-D425 VanDerWaalsContact O-CB 3.26Å; G61-D425 WeakPolarHBondContact O-CB 3.4Å |
| 62 | Y | 93.7 | Very high | 91.1 | Very high | 14 Ų | 14 | 19.3 Ų | 19.3 | 6% | 0.055 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.6 | -48.2 | 175.9 | 172.6 | -126 | 0 | 0 | 0 | 112.5 | S58 M59 I60 W330 L333 S426 V429 M430 | S58-Y62 VanDerWaalsContact O-CB 3.26Å; S58-Y62 WeakPolarHBondContact O-CB 3.28Å; S58-Y62 PolarHBondContact O-N 2.89Å; M59-Y62 WeakPolarHBondContact O-CB 3.08Å; M59-Y62 PolarHBondContact O-N 3.11Å; I60-Y62 VanDerWaalsContact C-N 3.31Å; I60-Y62 PolarHBondContact O-N 3.11Å; Y62-W330 VanDerWaalsContact OH-CB 3.25Å; Y62-W330 WeakPolarHBondContact OH-CB 3.32Å; Y62-L333 HydrophobicContact CD1-CD2 4.42Å; Y62-L333 HydrophobicContact CE1-CD2 4.16Å; Y62-S426 PolarHBondContact O-OG 3.2Å; Y62-V429 HydrophobicContact CD1-CG1 4.13Å; Y62-V429 HydrophobicContact CD2-CB 3.41Å; Y62-V429 VanDerWaalsContact CD2-CB 3.41Å; Y62-V429 HydrophobicContact CD2-CG1 3.23Å; Y62-V429 HydrophobicContact CD2-CG2 4.02Å; Y62-V429 HydrophobicContact CE1-CG1 4.33Å; Y62-V429 HydrophobicContact CE2-CB 4Å; Y62-V429 HydrophobicContact CE2-CG1 3.46Å; Y62-V429 VanDerWaalsContact CE2-CG1 3.46Å; Y62-V429 HydrophobicContact CG-CB 3.93Å; Y62-V429 HydrophobicContact CG-CG1 3.58Å; Y62-V429 HydrophobicContact CG-CG2 4.09Å; Y62-M430 HydrophobicContact CE2-CG 4.43Å |
| 63 | S | 90.3 | Very high | 91 | Very high | 4 Ų | 4 | 15.4 Ų | 15.4 | 3% | 0.028 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -89.1 | -24.8 | -172.1 | -64.2 | 0 | 0 | 0 | 0 | 113.8 | M59 I60 G65 N68 S325 M357 | M59-S63 PolarHBondContact O-N 3.41Å; M59-S63 VanDerWaalsContact O-N 3.07Å; M59-S63 PolarHBondContact O-OG 3.34Å; I60-S63 PolarHBondContact O-N 3.46Å; S63-G65 PolarHBondContact O-N 3.45Å; S63-N68 VanDerWaalsContact O-CG 3.26Å; S63-N68 PolarHBondContact O-ND2 3.07Å; S63-N68 PolarHBondContact O-OD1 3.04Å; S63-S325 WeakPolarHBondContact CA-O 3.14Å; S63-S325 WeakPolarHBondContact CB-O 3.28Å; S63-S325 PolarHBondContact OG-O 2.96Å; S63-M357 WeakPolarHBondContact CB-SD 3.42Å; S63-M357 WeakPolarHBondContact OG-CE 3.41Å; S63-M357 PolarHBondContact OG-SD 2.93Å |
| 64 | V | 90 | Very high | 90.6 | Very high | 10 Ų | 10 | 12.9 Ų | 12.9 | 6% | 0.061 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -85.8 | 88.6 | 172.5 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | I60 M357 T360 V422 | I60-V64 HydrophobicContact CG2-CG2 4.08Å; I60-V64 VanDerWaalsContact O-CB 3.29Å; I60-V64 WeakPolarHBondContact O-CB 3.37Å; I60-V64 WeakPolarHBondContact O-CG2 3.47Å; I60-V64 PolarHBondContact O-N 2.86Å; V64-M357 HydrophobicContact CG2-CG 4.41Å; V64-T360 HydrophobicContact CG1-CG2 3.71Å; V64-T360 HydrophobicContact CG2-CG2 4.08Å; V64-V422 WeakPolarHBondContact O-CG1 3.27Å |
| 65 | G | 86.9 | Confident | 90.4 | Very high | 3 Ų | 3 | 13.3 Ų | 13.3 | 3% | 0.031 | 7% | 0.065 | C | C | . | . | trans | -107.9 | -172.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S63 S67 N68 I69 | S63-G65 PolarHBondContact O-N 3.45Å; G65-S67 PolarHBondContact O-N 3.42Å; G65-N68 PolarHBondContact N-OD1 3.12Å; G65-N68 WeakPolarHBondContact O-CB 3.39Å; G65-N68 PolarHBondContact O-N 3.48Å; G65-I69 PolarHBondContact O-N 3.44Å | ||
| 66 | L | 82.7 | Confident | 90.2 | Very high | 22 Ų | 22 | 13.3 Ų | 13.3 | 12% | 0.115 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58.8 | -30.2 | 172.3 | -50.9 | -176.5 | 0 | 0 | 0 | 111.8 | N68 I69 W70 L145 V419 V422 | L66-N68 VanDerWaalsContact C-N 3.34Å; L66-N68 PolarHBondContact O-N 3.4Å; L66-I69 PolarHBondContact O-N 2.65Å; L66-W70 HydrophobicContact CB-CE3 3.61Å; L66-W70 HydrophobicContact CB-CZ3 3.5Å; L66-W70 HydrophobicContact CD1-CZ3 3.94Å; L66-W70 HydrophobicContact CD2-CE3 4.04Å; L66-W70 HydrophobicContact CD2-CH2 3.42Å; L66-W70 VanDerWaalsContact CD2-CH2 3.42Å; L66-W70 HydrophobicContact CD2-CZ3 3.07Å; L66-W70 HydrophobicContact CG-CE3 4.24Å; L66-W70 HydrophobicContact CG-CH2 4.41Å; L66-W70 HydrophobicContact CG-CZ3 3.59Å; L66-W70 PolarHBondContact O-N 2.86Å; L66-L145 HydrophobicContact CD1-CB 4.47Å; L66-L145 HydrophobicContact CD1-CD1 4.19Å; L66-V419 HydrophobicContact CD2-CG1 4.26Å; L66-V422 HydrophobicContact CD2-CB 4.21Å; L66-V422 HydrophobicContact CD2-CG1 3.71Å |
| 67 | S | 82.7 | Confident | 89.9 | Confident | 25 Ų | 25 | 13.4 Ų | 13.4 | 18% | 0.175 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -63 | -36.6 | 173.6 | 46.6 | 0 | 0 | 0 | 0 | 112.7 | G65 R71 F72 Q321 | G65-S67 PolarHBondContact O-N 3.42Å; S67-R71 CarbonylContact O-C 3.37Å; S67-R71 WeakPolarHBondContact O-CB 3.49Å; S67-R71 PolarHBondContact O-N 3Å; S67-F72 PolarHBondContact O-N 2.9Å; S67-Q321 PolarHBondContact O-NE2 3.17Å |
| 68 | N | 88.4 | Confident | 89.4 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.071 | C | C | . | . | I | π-helix | trans | -76.1 | -39.7 | 178.9 | -60.1 | 76.6 | 0 | 0 | 0 | 111.4 | S63 G65 L66 S325 S361 | S63-N68 VanDerWaalsContact O-CG 3.26Å; S63-N68 PolarHBondContact O-ND2 3.07Å; S63-N68 PolarHBondContact O-OD1 3.04Å; G65-N68 PolarHBondContact N-OD1 3.12Å; G65-N68 WeakPolarHBondContact O-CB 3.39Å; G65-N68 PolarHBondContact O-N 3.48Å; L66-N68 VanDerWaalsContact C-N 3.34Å; L66-N68 PolarHBondContact O-N 3.4Å; N68-S325 WeakPolarHBondContact ND2-CB 3.49Å; N68-S325 PolarHBondContact ND2-OG 2.91Å; N68-S361 WeakPolarHBondContact CB-OG 3.42Å; N68-S361 PolarHBondContact ND2-OG 3.06Å |
| 69 | I | 87.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | I | π-helix | trans | -78.5 | -37.3 | -173.7 | -59.7 | 177.7 | 0 | 0 | 0 | 111.7 | G65 L66 P73 L281 A364 V368 V422 | G65-I69 PolarHBondContact O-N 3.44Å; L66-I69 PolarHBondContact O-N 2.65Å; I69-P73 WeakPolarHBondContact O-CG 3.23Å; I69-L281 HydrophobicContact CG2-CD2 4.17Å; I69-A364 HydrophobicContact CB-CB 4.34Å; I69-A364 HydrophobicContact CG1-CB 4.41Å; I69-A364 HydrophobicContact CG2-CB 4.17Å; I69-V368 VanDerWaalsContact O-CG2 3.28Å; I69-V368 WeakPolarHBondContact O-CG2 3.37Å; I69-V422 HydrophobicContact CD1-CG1 4.08Å; I69-V422 HydrophobicContact CD1-CG2 3.8Å |
| 70 | W | 81.3 | Confident | 89 | Confident | 11 Ų | 11 | 15.7 Ų | 15.7 | 4% | 0.042 | 8% | 0.075 | C | C | . | . | I | π-helix | trans | -121.7 | -40.2 | -171 | -60.1 | -54.2 | 0 | 0 | 0 | 114.4 | L66 P73 Y74 L393 A394 Y398 F415 M418 V419 | L66-W70 HydrophobicContact CB-CE3 3.61Å; L66-W70 HydrophobicContact CB-CZ3 3.5Å; L66-W70 HydrophobicContact CD1-CZ3 3.94Å; L66-W70 HydrophobicContact CD2-CE3 4.04Å; L66-W70 HydrophobicContact CD2-CH2 3.42Å; L66-W70 VanDerWaalsContact CD2-CH2 3.42Å; L66-W70 HydrophobicContact CD2-CZ3 3.07Å; L66-W70 HydrophobicContact CG-CE3 4.24Å; L66-W70 HydrophobicContact CG-CH2 4.41Å; L66-W70 HydrophobicContact CG-CZ3 3.59Å; L66-W70 PolarHBondContact O-N 2.86Å; W70-P73 WeakPolarHBondContact O-CD 3.35Å; W70-Y74 PolarHBondContact O-N 3.48Å; W70-L393 HydrophobicContact CB-CB 4.47Å; W70-L393 HydrophobicContact CB-CD2 3.72Å; W70-L393 HydrophobicContact CB-CG 4.17Å; W70-L393 HydrophobicContact CG-CD2 4.29Å; W70-L393 HydrophobicContact CG-CG 4.34Å; W70-L393 WeakPolarHBondContact O-CD2 3.3Å; W70-A394 HydrophobicContact CD2-CB 3.81Å; W70-A394 HydrophobicContact CE3-CB 3.59Å; W70-A394 HydrophobicContact CH2-CB 3.81Å; W70-A394 HydrophobicContact CZ2-CB 4.01Å; W70-A394 HydrophobicContact CZ3-CB 3.52Å; W70-Y398 AromaticContact CD1-CE2 3.61Å; W70-Y398 AromaticContact NE1-CE2 3.54Å; W70-Y398 AromaticContact NE1-CZ 3.95Å; W70-F415 AromaticContact CZ2-CE2 3.88Å; W70-F415 HydrophobicContact CZ2-CE2 3.88Å; W70-F415 AromaticContact CZ2-CZ 3.65Å; W70-F415 HydrophobicContact CZ2-CZ 3.65Å; W70-M418 HydrophobicContact CZ2-CE 4.35Å; W70-V419 HydrophobicContact CH2-CB 4.08Å; W70-V419 HydrophobicContact CH2-CG1 3.98Å; W70-V419 HydrophobicContact CH2-CG2 3.37Å; W70-V419 HydrophobicContact CZ2-CG2 3.71Å |
| 71 | R | 87.5 | Confident | 88.8 | Confident | 67 Ų | 67 | 14.7 Ų | 14.7 | 25% | 0.253 | 7% | 0.071 | S | C | . | . | I | π-helix | trans | -73 | -42.9 | 179.4 | -175.8 | -177 | 175.9 | 161.2 | 0.2 | 112.3 | S67 Y74 L75 | S67-R71 CarbonylContact O-C 3.37Å; S67-R71 WeakPolarHBondContact O-CB 3.49Å; S67-R71 PolarHBondContact O-N 3Å; R71-Y74 WeakPolarHBondContact O-CB 3.48Å; R71-Y74 PolarHBondContact O-N 3.34Å; R71-L75 HydrophobicContact CG-CD1 4.04Å; R71-L75 HydrophobicContact CG-CG 4.17Å; R71-L75 WeakPolarHBondContact O-CG 3.46Å; R71-L75 PolarHBondContact O-N 3.43Å |
| 72 | F | 92.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 15.5 Ų | 15.5 | 0% | 0.004 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58 | -48.5 | 178.7 | 172.6 | -87.7 | 0 | 0 | 0 | 112.5 | S67 Y74 L75 C76 F84 L85 Y88 Y301 Q321 S361 F362 | S67-F72 PolarHBondContact O-N 2.9Å; F72-Y74 VanDerWaalsContact C-N 3.3Å; F72-Y74 PolarHBondContact O-N 2.75Å; F72-L75 PolarHBondContact O-N 2.89Å; F72-C76 WeakPolarHBondContact O-CB 3.44Å; F72-C76 PolarHBondContact O-N 3.47Å; F72-F84 HydrophobicContact CD2-CE1 4.41Å; F72-F84 HydrophobicContact CE2-CD1 4.48Å; F72-F84 HydrophobicContact CE2-CE1 4.06Å; F72-L85 HydrophobicContact CZ-CD2 3.89Å; F72-Y88 HydrophobicContact CD2-CE1 4.15Å; F72-Y88 AromaticContact CD2-CE2 3.99Å; F72-Y88 HydrophobicContact CD2-CE2 3.99Å; F72-Y88 AromaticContact CD2-CZ 3.72Å; F72-Y88 AromaticContact CE2-CD1 3.72Å; F72-Y88 HydrophobicContact CE2-CD1 3.72Å; F72-Y88 HydrophobicContact CE2-CD2 4.04Å; F72-Y88 AromaticContact CE2-CE1 3.44Å; F72-Y88 HydrophobicContact CE2-CE1 3.44Å; F72-Y88 VanDerWaalsContact CE2-CE1 3.44Å; F72-Y88 AromaticContact CE2-CE2 3.8Å; F72-Y88 HydrophobicContact CE2-CE2 3.8Å; F72-Y88 AromaticContact CE2-CG 3.98Å; F72-Y88 HydrophobicContact CE2-CG 3.98Å; F72-Y88 AromaticContact CE2-CZ 3.45Å; F72-Y88 VanDerWaalsContact CE2-CZ 3.45Å; F72-Y88 HydrophobicContact CZ-CD1 4.32Å; F72-Y88 HydrophobicContact CZ-CE1 4.19Å; F72-Y301 WeakPolarHBondContact CE1-OH 3.48Å; F72-Q321 HydrophobicContact CB-CG 4.31Å; F72-Q321 HydrophobicContact CD2-CG 3.79Å; F72-S361 VanDerWaalsContact CD1-O 3.31Å; F72-S361 WeakPolarHBondContact CD1-O 3.42Å; F72-F362 HydrophobicContact CE1-CB 4.43Å; F72-F362 HydrophobicContact CE1-CD2 4.49Å |
| 73 | P | 90.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.7 | -40.8 | 176.4 | -28 | 39 | 0 | 0 | 0 | 112.8 | I69 W70 C76 Y77 Y301 V368 F369 | I69-P73 WeakPolarHBondContact O-CG 3.23Å; W70-P73 WeakPolarHBondContact O-CD 3.35Å; P73-C76 WeakPolarHBondContact O-CB 3.48Å; P73-C76 PolarHBondContact O-N 2.94Å; P73-Y77 PolarHBondContact O-N 3.39Å; P73-Y77 VanDerWaalsContact O-N 3.09Å; P73-Y301 HydrophobicContact CB-CE2 4.41Å; P73-V368 HydrophobicContact CB-CB 4.27Å; P73-V368 HydrophobicContact CB-CG1 4.34Å; P73-V368 HydrophobicContact CB-CG2 4.43Å; P73-V368 HydrophobicContact CG-CB 4.47Å; P73-V368 HydrophobicContact CG-CG2 4.13Å; P73-F369 HydrophobicContact CB-CD2 4.08Å; P73-F369 HydrophobicContact CB-CE2 3.73Å; P73-F369 WeakPolarHBondContact O-CE2 3.43Å |
| 74 | Y | 87.5 | Confident | 89.1 | Confident | 30 Ų | 30 | 14.7 Ų | 14.7 | 12% | 0.118 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.6 | -53.2 | 175 | 178.7 | -101.5 | 0 | 0 | 0 | 111.9 | W70 R71 F72 C76 Y77 Q78 V387 E389 | W70-Y74 PolarHBondContact O-N 3.48Å; R71-Y74 WeakPolarHBondContact O-CB 3.48Å; R71-Y74 PolarHBondContact O-N 3.34Å; F72-Y74 VanDerWaalsContact C-N 3.3Å; F72-Y74 PolarHBondContact O-N 2.75Å; Y74-C76 VanDerWaalsContact C-N 3.31Å; Y74-C76 PolarHBondContact O-N 3.19Å; Y74-Y77 PolarHBondContact O-N 3.2Å; Y74-Q78 HydrophobicContact CE1-CB 4.38Å; Y74-Q78 VanDerWaalsContact CE1-OE1 3.3Å; Y74-Q78 PolarHBondContact O-N 3.02Å; Y74-Q78 PolarHBondContact OH-NE2 2.91Å; Y74-V387 HydrophobicContact CD2-CG1 3.34Å; Y74-V387 HydrophobicContact CE2-CG1 3.58Å; Y74-E389 HydrophobicContact CD1-CG 4.41Å; Y74-E389 HydrophobicContact CE1-CG 3.61Å; Y74-E389 WeakPolarHBondContact CE1-OE1 3.41Å; Y74-E389 HydrophobicContact CE2-CG 3.86Å; Y74-E389 VanDerWaalsContact OH-CD 3.26Å; Y74-E389 VanDerWaalsContact OH-CG 3.28Å; Y74-E389 WeakPolarHBondContact OH-CG 3.48Å; Y74-E389 PolarHBondContact OH-OE1 3.48Å |
| 75 | L | 90.1 | Very high | 89.3 | Confident | 9 Ų | 9 | 16 Ų | 16 | 5% | 0.047 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.3 | -38.7 | 179.5 | -69.1 | 179.5 | 0 | 0 | 0 | 112.1 | R71 F72 N79 F84 D317 Q321 | R71-L75 HydrophobicContact CG-CD1 4.04Å; R71-L75 HydrophobicContact CG-CG 4.17Å; R71-L75 WeakPolarHBondContact O-CG 3.46Å; R71-L75 PolarHBondContact O-N 3.43Å; F72-L75 PolarHBondContact O-N 2.89Å; L75-N79 WeakPolarHBondContact O-CB 3.41Å; L75-N79 PolarHBondContact O-N 2.83Å; L75-N79 PolarHBondContact O-ND2 3.5Å; L75-F84 HydrophobicContact CB-CE1 4.33Å; L75-F84 HydrophobicContact CB-CZ 4.06Å; L75-D317 HydrophobicContact CD2-CB 4.36Å; L75-Q321 HydrophobicContact CD1-CB 3.99Å; L75-Q321 HydrophobicContact CD1-CG 4.25Å |
| 76 | C | 92.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.2 | -51.8 | 176 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | F72 P73 Y74 G80 G81 F84 Y301 | F72-C76 WeakPolarHBondContact O-CB 3.44Å; F72-C76 PolarHBondContact O-N 3.47Å; P73-C76 WeakPolarHBondContact O-CB 3.48Å; P73-C76 PolarHBondContact O-N 2.94Å; Y74-C76 VanDerWaalsContact C-N 3.31Å; Y74-C76 PolarHBondContact O-N 3.19Å; C76-G80 PolarHBondContact O-N 2.66Å; C76-G81 WeakPolarHBondContact O-CA 3.43Å; C76-G81 PolarHBondContact O-N 3.16Å; C76-G81 PolarHBondContact SG-O 3.03Å; C76-F84 HydrophobicContact CB-CD1 4.1Å; C76-Y301 HydrophobicContact CB-CD2 4.12Å; C76-Y301 HydrophobicContact CB-CE2 3.62Å; C76-Y301 WeakPolarHBondContact SG-CE2 3.45Å |
| 77 | Y | 88.9 | Confident | 90.4 | Very high | 42 Ų | 42 | 18.6 Ų | 18.6 | 17% | 0.165 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62 | -52.2 | 177.8 | 156.7 | -109.9 | 0 | 0 | 0 | 112.7 | P73 Y74 N79 G80 Y300 F369 E384 | P73-Y77 PolarHBondContact O-N 3.39Å; P73-Y77 VanDerWaalsContact O-N 3.09Å; Y74-Y77 PolarHBondContact O-N 3.2Å; Y77-N79 PolarHBondContact O-N 3.25Å; Y77-G80 PolarHBondContact O-N 3.23Å; Y77-Y300 HydrophobicContact CD2-CD1 4.21Å; Y77-Y300 AromaticContact CE2-CD1 3.73Å; Y77-Y300 HydrophobicContact CE2-CD1 3.73Å; Y77-Y300 HydrophobicContact CE2-CE1 4.42Å; Y77-F369 HydrophobicContact CD1-CZ 4.3Å; Y77-F369 HydrophobicContact CD2-CE1 4.4Å; Y77-F369 HydrophobicContact CG-CE1 4.06Å; Y77-F369 AromaticContact CG-CZ 3.82Å; Y77-F369 HydrophobicContact CG-CZ 3.82Å; Y77-E384 WeakPolarHBondContact OH-CB 3.15Å; Y77-E384 WeakPolarHBondContact OH-CG 3.41Å |
| 78 | Q | 87.3 | Confident | 91 | Very high | 53 Ų | 53 | 17.6 Ų | 17.6 | 25% | 0.248 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.2 | -35.8 | -176.8 | -167.6 | -178.5 | 36.3 | 0 | 0 | 111.9 | Y74 E389 | Y74-Q78 HydrophobicContact CE1-CB 4.38Å; Y74-Q78 VanDerWaalsContact CE1-OE1 3.3Å; Y74-Q78 PolarHBondContact O-N 3.02Å; Y74-Q78 PolarHBondContact OH-NE2 2.91Å; Q78-E389 PolarHBondContact NE2-OE1 2.98Å |
| 79 | N | 91 | Very high | 91.4 | Very high | 6 Ų | 6 | 21.6 Ų | 21.6 | 3% | 0.032 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 23.1 | -175 | -68 | -45.1 | 0 | 0 | 0 | 114.4 | L75 Y77 F84 V314 D317 | L75-N79 WeakPolarHBondContact O-CB 3.41Å; L75-N79 PolarHBondContact O-N 2.83Å; L75-N79 PolarHBondContact O-ND2 3.5Å; Y77-N79 PolarHBondContact O-N 3.25Å; N79-F84 HydrophobicContact CB-CB 4.33Å; N79-F84 HydrophobicContact CB-CD2 3.46Å; N79-F84 VanDerWaalsContact CB-CD2 3.46Å; N79-F84 HydrophobicContact CB-CE2 4.06Å; N79-F84 HydrophobicContact CB-CG 4.17Å; N79-V314 HydrophobicContact CB-CB 4.37Å; N79-V314 HydrophobicContact CB-CG1 4.05Å; N79-V314 HydrophobicContact CB-CG2 3.89Å; N79-V314 WeakPolarHBondContact OD1-CG2 3.19Å; N79-D317 WeakPolarHBondContact ND2-CB 3.35Å; N79-D317 PolarHBondContact ND2-OD2 3.1Å |
| 80 | G | 89.9 | Confident | 91.8 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 7% | 0.072 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104.1 | 26 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | C76 Y77 G82 A83 N305 | C76-G80 PolarHBondContact O-N 2.66Å; Y77-G80 PolarHBondContact O-N 3.23Å; G80-G82 PolarHBondContact O-N 3.33Å; G80-A83 WeakPolarHBondContact O-CB 3.49Å; G80-A83 PolarHBondContact O-N 3.36Å; G80-N305 PolarHBondContact O-N 3.3Å |
| 81 | G | 91.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | 57.8 | -130.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C76 A83 F84 Y301 | C76-G81 WeakPolarHBondContact O-CA 3.43Å; C76-G81 PolarHBondContact O-N 3.16Å; C76-G81 PolarHBondContact SG-O 3.03Å; G81-A83 PolarHBondContact O-N 3.47Å; G81-F84 VanDerWaalsContact O-CB 3.29Å; G81-F84 WeakPolarHBondContact O-CB 3.49Å; G81-F84 PolarHBondContact O-N 3.4Å; G81-Y301 CarbonylContact C-O 3.57Å; G81-Y301 WeakPolarHBondContact CA-O 3.46Å |
| 82 | G | 91.6 | Very high | 93 | Very high | 18 Ų | 18 | 21.6 Ų | 21.6 | 19% | 0.186 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -56 | -20 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | G80 F84 L85 Y301 I302 | G80-G82 PolarHBondContact O-N 3.33Å; G82-F84 VanDerWaalsContact C-N 3.29Å; G82-F84 PolarHBondContact O-N 2.84Å; G82-L85 WeakPolarHBondContact O-CB 3.4Å; G82-L85 PolarHBondContact O-N 3.29Å; G82-Y301 PolarHBondContact N-O 3.12Å; G82-I302 WeakPolarHBondContact CA-O 3.32Å; G82-I302 PolarHBondContact N-O 3.08Å |
| 83 | A | 95.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -65.5 | -32.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G80 G81 L85 I86 P87 P304 F306 L309 | G80-A83 WeakPolarHBondContact O-CB 3.49Å; G80-A83 PolarHBondContact O-N 3.36Å; G81-A83 PolarHBondContact O-N 3.47Å; A83-L85 PolarHBondContact O-N 3.49Å; A83-L85 VanDerWaalsContact O-N 3.12Å; A83-I86 PolarHBondContact O-N 3.37Å; A83-I86 VanDerWaalsContact O-N 3.09Å; A83-P87 WeakPolarHBondContact O-CD 3.43Å; A83-P304 HydrophobicContact CB-CB 4.17Å; A83-F306 HydrophobicContact CB-CD1 4.23Å; A83-L309 HydrophobicContact CB-CD2 4.42Å; A83-L309 HydrophobicContact CB-CG 4.38Å |
| 84 | F | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -59 | -24.3 | 177.8 | -179.9 | -106.4 | 0 | 0 | 0 | 113 | F72 L75 C76 N79 G81 G82 I86 P87 Y88 V314 D317 A318 | F72-F84 HydrophobicContact CD2-CE1 4.41Å; F72-F84 HydrophobicContact CE2-CD1 4.48Å; F72-F84 HydrophobicContact CE2-CE1 4.06Å; L75-F84 HydrophobicContact CB-CE1 4.33Å; L75-F84 HydrophobicContact CB-CZ 4.06Å; C76-F84 HydrophobicContact CB-CD1 4.1Å; N79-F84 HydrophobicContact CB-CB 4.33Å; N79-F84 HydrophobicContact CB-CD2 3.46Å; N79-F84 VanDerWaalsContact CB-CD2 3.46Å; N79-F84 HydrophobicContact CB-CE2 4.06Å; N79-F84 HydrophobicContact CB-CG 4.17Å; G81-F84 VanDerWaalsContact O-CB 3.29Å; G81-F84 WeakPolarHBondContact O-CB 3.49Å; G81-F84 PolarHBondContact O-N 3.4Å; G82-F84 VanDerWaalsContact C-N 3.29Å; G82-F84 PolarHBondContact O-N 2.84Å; F84-I86 PolarHBondContact O-N 3.29Å; F84-P87 WeakPolarHBondContact O-CD 3.4Å; F84-P87 VanDerWaalsContact O-CG 3.25Å; F84-P87 WeakPolarHBondContact O-CG 3.39Å; F84-Y88 HydrophobicContact CE1-CD2 4.05Å; F84-Y88 HydrophobicContact CE1-CG 4.41Å; F84-Y88 HydrophobicContact CZ-CD2 4.38Å; F84-Y88 VanDerWaalsContact O-CB 3.29Å; F84-Y88 WeakPolarHBondContact O-CB 3.46Å; F84-Y88 PolarHBondContact O-N 3.23Å; F84-Y88 VanDerWaalsContact O-N 3.16Å; F84-V314 HydrophobicContact CD2-CG1 4.21Å; F84-D317 HydrophobicContact CE2-CB 4.33Å; F84-A318 HydrophobicContact CD2-CB 4.42Å; F84-A318 HydrophobicContact CE2-CB 3.66Å; F84-A318 HydrophobicContact CZ-CB 3.89Å |
| 85 | L | 95.2 | Very high | 93.9 | Very high | 39 Ų | 39 | 28.3 Ų | 28.3 | 20% | 0.204 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.9 | -25.6 | 177.9 | -59.1 | 178.4 | 0 | 0 | 0 | 112.7 | F72 G82 A83 I89 F362 | F72-L85 HydrophobicContact CZ-CD2 3.89Å; G82-L85 WeakPolarHBondContact O-CB 3.4Å; G82-L85 PolarHBondContact O-N 3.29Å; A83-L85 PolarHBondContact O-N 3.49Å; A83-L85 VanDerWaalsContact O-N 3.12Å; L85-I89 HydrophobicContact CB-CD1 4.32Å; L85-I89 VanDerWaalsContact O-CB 3.27Å; L85-I89 WeakPolarHBondContact O-CB 3.28Å; L85-I89 WeakPolarHBondContact O-CD1 3.41Å; L85-I89 WeakPolarHBondContact O-CG1 3.26Å; L85-I89 PolarHBondContact O-N 3.32Å; L85-F362 HydrophobicContact CD1-CD2 4.23Å; L85-F362 HydrophobicContact CD1-CE2 3.68Å; L85-F362 HydrophobicContact CD1-CZ 4.26Å; L85-F362 HydrophobicContact CD2-CD2 4.02Å; L85-F362 HydrophobicContact CD2-CE2 4.27Å |
| 86 | I | 96.3 | Very high | 94.1 | Very high | 78 Ų | 78 | 27.9 Ų | 27.9 | 40% | 0.4 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.2 | -59.3 | 179 | -66.6 | 167.9 | 0 | 0 | 0 | 111.5 | A83 F84 Y88 S90 F306 L309 | A83-I86 PolarHBondContact O-N 3.37Å; A83-I86 VanDerWaalsContact O-N 3.09Å; F84-I86 PolarHBondContact O-N 3.29Å; I86-Y88 VanDerWaalsContact C-N 3.26Å; I86-Y88 PolarHBondContact O-N 3.1Å; I86-S90 WeakPolarHBondContact O-CB 3.49Å; I86-S90 PolarHBondContact O-N 3.07Å; I86-S90 PolarHBondContact O-OG 3.06Å; I86-F306 HydrophobicContact CD1-CD1 4.35Å; I86-F306 HydrophobicContact CD1-CE1 3.87Å; I86-L309 HydrophobicContact CD1-CD1 3.96Å |
| 87 | P | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.4 | -37.2 | 175.6 | 23.9 | -33.2 | 0 | 0 | 0 | 111.1 | A83 F84 S90 F91 L309 V314 W315 A318 | A83-P87 WeakPolarHBondContact O-CD 3.43Å; F84-P87 WeakPolarHBondContact O-CD 3.4Å; F84-P87 VanDerWaalsContact O-CG 3.25Å; F84-P87 WeakPolarHBondContact O-CG 3.39Å; P87-S90 WeakPolarHBondContact O-CB 3.4Å; P87-S90 PolarHBondContact O-N 3.16Å; P87-F91 HydrophobicContact CB-CE2 4.5Å; P87-F91 WeakPolarHBondContact O-CD2 3.32Å; P87-F91 PolarHBondContact O-N 2.96Å; P87-L309 HydrophobicContact CG-CD2 4.1Å; P87-V314 HydrophobicContact CG-CG1 4.05Å; P87-W315 HydrophobicContact CB-CD2 3.66Å; P87-W315 HydrophobicContact CB-CE3 3.5Å; P87-W315 VanDerWaalsContact CB-CE3 3.5Å; P87-W315 HydrophobicContact CB-CG 4.25Å; P87-W315 HydrophobicContact CB-CH2 4.13Å; P87-W315 HydrophobicContact CB-CZ2 4.29Å; P87-W315 HydrophobicContact CB-CZ3 3.74Å; P87-A318 HydrophobicContact CB-CB 3.83Å; P87-A318 HydrophobicContact CG-CB 4.12Å |
| 88 | Y | 95.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 2% | 0.02 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.8 | -54.1 | 178.5 | -166.3 | -111.1 | 0 | 0 | 0 | 113.6 | F72 F84 I86 S90 F91 L92 Q321 V322 E358 | F72-Y88 HydrophobicContact CD2-CE1 4.15Å; F72-Y88 AromaticContact CD2-CE2 3.99Å; F72-Y88 HydrophobicContact CD2-CE2 3.99Å; F72-Y88 AromaticContact CD2-CZ 3.72Å; F72-Y88 AromaticContact CE2-CD1 3.72Å; F72-Y88 HydrophobicContact CE2-CD1 3.72Å; F72-Y88 HydrophobicContact CE2-CD2 4.04Å; F72-Y88 AromaticContact CE2-CE1 3.44Å; F72-Y88 HydrophobicContact CE2-CE1 3.44Å; F72-Y88 VanDerWaalsContact CE2-CE1 3.44Å; F72-Y88 AromaticContact CE2-CE2 3.8Å; F72-Y88 HydrophobicContact CE2-CE2 3.8Å; F72-Y88 AromaticContact CE2-CG 3.98Å; F72-Y88 HydrophobicContact CE2-CG 3.98Å; F72-Y88 AromaticContact CE2-CZ 3.45Å; F72-Y88 VanDerWaalsContact CE2-CZ 3.45Å; F72-Y88 HydrophobicContact CZ-CD1 4.32Å; F72-Y88 HydrophobicContact CZ-CE1 4.19Å; F84-Y88 HydrophobicContact CE1-CD2 4.05Å; F84-Y88 HydrophobicContact CE1-CG 4.41Å; F84-Y88 HydrophobicContact CZ-CD2 4.38Å; F84-Y88 VanDerWaalsContact O-CB 3.29Å; F84-Y88 WeakPolarHBondContact O-CB 3.46Å; F84-Y88 PolarHBondContact O-N 3.23Å; F84-Y88 VanDerWaalsContact O-N 3.16Å; I86-Y88 VanDerWaalsContact C-N 3.26Å; I86-Y88 PolarHBondContact O-N 3.1Å; Y88-S90 VanDerWaalsContact C-N 3.26Å; Y88-S90 PolarHBondContact O-N 2.94Å; Y88-F91 PolarHBondContact O-N 3.46Å; Y88-L92 WeakPolarHBondContact O-CB 3.23Å; Y88-L92 PolarHBondContact O-N 2.87Å; Y88-Q321 HydrophobicContact CD2-CB 4.5Å; Y88-Q321 HydrophobicContact CE2-CB 3.86Å; Y88-Q321 HydrophobicContact CE2-CG 3.6Å; Y88-V322 HydrophobicContact CD2-CG2 3.67Å; Y88-V322 HydrophobicContact CE2-CB 4.47Å; Y88-V322 HydrophobicContact CE2-CG2 3.43Å; Y88-V322 VanDerWaalsContact CE2-CG2 3.43Å; Y88-V322 HydrophobicContact CG-CG2 4.37Å; Y88-E358 HydrophobicContact CE1-CB 4.17Å; Y88-E358 HydrophobicContact CE1-CG 4.1Å; Y88-E358 WeakPolarHBondContact CE1-OE2 3.47Å; Y88-E358 VanDerWaalsContact CZ-OE2 3.29Å; Y88-E358 PolarHBondContact OH-OE1 3.09Å; Y88-E358 PolarHBondContact OH-OE2 3.4Å |
| 89 | I | 96.7 | Very high | 95.3 | Very high | 84 Ų | 84 | 24 Ų | 24 | 43% | 0.431 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -65 | -34.5 | 178.5 | -68 | 167.6 | 0 | 0 | 0 | 110.4 | L85 L92 L93 | L85-I89 HydrophobicContact CB-CD1 4.32Å; L85-I89 VanDerWaalsContact O-CB 3.27Å; L85-I89 WeakPolarHBondContact O-CB 3.28Å; L85-I89 WeakPolarHBondContact O-CD1 3.41Å; L85-I89 WeakPolarHBondContact O-CG1 3.26Å; L85-I89 PolarHBondContact O-N 3.32Å; I89-L92 WeakPolarHBondContact O-CB 3.46Å; I89-L92 PolarHBondContact O-N 2.82Å; I89-L93 HydrophobicContact CG2-CD1 3.87Å; I89-L93 HydrophobicContact CG2-CG 4.23Å; I89-L93 VanDerWaalsContact O-CG 3.3Å; I89-L93 WeakPolarHBondContact O-CG 3.37Å; I89-L93 PolarHBondContact O-N 3.01Å |
| 90 | S | 96.5 | Very high | 95.6 | Very high | 40 Ų | 40 | 23.8 Ų | 23.8 | 28% | 0.28 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -61.5 | -50 | 176.2 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | I86 P87 Y88 L92 L93 L94 | I86-S90 WeakPolarHBondContact O-CB 3.49Å; I86-S90 PolarHBondContact O-N 3.07Å; I86-S90 PolarHBondContact O-OG 3.06Å; P87-S90 WeakPolarHBondContact O-CB 3.4Å; P87-S90 PolarHBondContact O-N 3.16Å; Y88-S90 VanDerWaalsContact C-N 3.26Å; Y88-S90 PolarHBondContact O-N 2.94Å; S90-L92 PolarHBondContact O-N 3.5Å; S90-L93 PolarHBondContact O-N 3.04Å; S90-L94 VanDerWaalsContact O-CB 3.3Å; S90-L94 WeakPolarHBondContact O-CB 3.19Å; S90-L94 VanDerWaalsContact O-CG 3.24Å; S90-L94 WeakPolarHBondContact O-CG 3.45Å; S90-L94 PolarHBondContact O-N 3.24Å |
| 91 | F | 96.4 | Very high | 96 | Very high | 23 Ų | 23 | 23.4 Ų | 23.4 | 10% | 0.101 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.7 | -35.8 | 176.4 | -74.9 | -67 | 0 | 0 | 0 | 112.6 | P87 Y88 L93 C95 G96 W315 A318 A319 V322 I538 I542 | P87-F91 HydrophobicContact CB-CE2 4.5Å; P87-F91 WeakPolarHBondContact O-CD2 3.32Å; P87-F91 PolarHBondContact O-N 2.96Å; Y88-F91 PolarHBondContact O-N 3.46Å; F91-L93 PolarHBondContact O-N 3.4Å; F91-C95 WeakPolarHBondContact O-CA 3.31Å; F91-C95 WeakPolarHBondContact O-CB 3.33Å; F91-C95 PolarHBondContact O-N 3.15Å; F91-G96 PolarHBondContact O-N 3.46Å; F91-W315 HydrophobicContact CE2-CB 4.18Å; F91-W315 AromaticContact CE2-CE3 3.72Å; F91-W315 HydrophobicContact CE2-CE3 3.72Å; F91-W315 WeakPolarHBondContact CE2-O 3.36Å; F91-W315 HydrophobicContact CZ-CB 4.46Å; F91-W315 HydrophobicContact CZ-CE3 4.11Å; F91-A318 HydrophobicContact CD2-CB 4.01Å; F91-A318 HydrophobicContact CE2-CB 4.32Å; F91-A319 HydrophobicContact CD1-CB 3.95Å; F91-A319 HydrophobicContact CD2-CB 3.93Å; F91-A319 HydrophobicContact CE1-CB 3.88Å; F91-A319 HydrophobicContact CE2-CB 3.88Å; F91-A319 HydrophobicContact CG-CB 3.99Å; F91-A319 HydrophobicContact CZ-CB 3.85Å; F91-V322 HydrophobicContact CB-CB 4.45Å; F91-V322 HydrophobicContact CB-CG2 4.05Å; F91-I538 HydrophobicContact CD1-CG2 3.87Å; F91-I538 HydrophobicContact CE1-CG2 3.52Å; F91-I542 HydrophobicContact CD1-CD1 4.09Å; F91-I542 HydrophobicContact CE1-CD1 3.77Å; F91-I542 HydrophobicContact CE1-CG1 4.08Å |
| 92 | L | 96.5 | Very high | 96.3 | Very high | 14 Ų | 14 | 23.3 Ų | 23.3 | 7% | 0.073 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -57.4 | -48.7 | 173.7 | 176.6 | 62.4 | 0 | 0 | 0 | 111.4 | Y88 I89 S90 G96 I97 V322 L326 P354 E358 | Y88-L92 WeakPolarHBondContact O-CB 3.23Å; Y88-L92 PolarHBondContact O-N 2.87Å; I89-L92 WeakPolarHBondContact O-CB 3.46Å; I89-L92 PolarHBondContact O-N 2.82Å; S90-L92 PolarHBondContact O-N 3.5Å; L92-G96 PolarHBondContact O-N 2.89Å; L92-I97 HydrophobicContact CD1-CG1 4.12Å; L92-I97 HydrophobicContact CG-CD1 4.33Å; L92-I97 HydrophobicContact CG-CG1 4.41Å; L92-I97 PolarHBondContact O-N 2.68Å; L92-V322 HydrophobicContact CB-CG2 4.45Å; L92-L326 HydrophobicContact CD1-CD1 3.76Å; L92-P354 HydrophobicContact CD1-CB 4.11Å; L92-E358 HydrophobicContact CD1-CG 3.81Å; L92-E358 HydrophobicContact CD2-CB 4.21Å; L92-E358 HydrophobicContact CD2-CG 3.85Å; L92-E358 HydrophobicContact CG-CG 4.43Å |
| 93 | L | 96.5 | Very high | 96.6 | Very high | 99 Ų | 99 | 22.5 Ų | 22.5 | 52% | 0.518 | 12% | 0.119 | S | C | . | . | I | π-helix | trans | -74.9 | -38 | -177.3 | -66.5 | 175.9 | 0 | 0 | 0 | 113.1 | I89 S90 F91 I97 P98 | I89-L93 HydrophobicContact CG2-CD1 3.87Å; I89-L93 HydrophobicContact CG2-CG 4.23Å; I89-L93 VanDerWaalsContact O-CG 3.3Å; I89-L93 WeakPolarHBondContact O-CG 3.37Å; I89-L93 PolarHBondContact O-N 3.01Å; S90-L93 PolarHBondContact O-N 3.04Å; F91-L93 PolarHBondContact O-N 3.4Å; L93-I97 HydrophobicContact CD2-CD1 4.03Å; L93-P98 WeakPolarHBondContact O-CD 3.27Å |
| 94 | L | 96.6 | Very high | 96.6 | Very high | 74 Ų | 74 | 22.5 Ų | 22.5 | 39% | 0.387 | 12% | 0.119 | S | C | . | . | I | π-helix | trans | -92 | -20.2 | -172 | -60.7 | 176.6 | 0 | 0 | 0 | 114 | S90 N530 T534 T535 I538 | S90-L94 VanDerWaalsContact O-CB 3.3Å; S90-L94 WeakPolarHBondContact O-CB 3.19Å; S90-L94 VanDerWaalsContact O-CG 3.24Å; S90-L94 WeakPolarHBondContact O-CG 3.45Å; S90-L94 PolarHBondContact O-N 3.24Å; L94-N530 PolarHBondContact O-OD1 2.63Å; L94-T534 HydrophobicContact CB-CG2 4.37Å; L94-T534 HydrophobicContact CD2-CG2 4.11Å; L94-T535 PolarHBondContact O-OG1 2.95Å; L94-I538 HydrophobicContact CB-CD1 3.72Å; L94-I538 HydrophobicContact CD1-CD1 3.99Å; L94-I538 HydrophobicContact CG-CD1 4.47Å |
| 95 | C | 95.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -133.3 | -50 | -177.8 | -62.2 | 0 | 0 | 0 | 0 | 113.1 | F91 P98 L99 F323 T535 I538 | F91-C95 WeakPolarHBondContact O-CA 3.31Å; F91-C95 WeakPolarHBondContact O-CB 3.33Å; F91-C95 PolarHBondContact O-N 3.15Å; C95-P98 WeakPolarHBondContact O-CD 3.48Å; C95-L99 WeakPolarHBondContact O-CB 3.28Å; C95-L99 WeakPolarHBondContact O-CG 3.32Å; C95-L99 PolarHBondContact O-N 3.09Å; C95-F323 HydrophobicContact CB-CE2 4.15Å; C95-F323 HydrophobicContact CB-CZ 4.36Å; C95-T535 HydrophobicContact CB-CG2 4.24Å; C95-I538 VanDerWaalsContact SG-CB 3.53Å; C95-I538 WeakPolarHBondContact SG-CG2 3.48Å |
| 96 | G | 95.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -58.4 | -62.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F91 L92 L99 F100 L326 | F91-G96 PolarHBondContact O-N 3.46Å; L92-G96 PolarHBondContact O-N 2.89Å; G96-L99 PolarHBondContact O-N 2.94Å; G96-F100 VanDerWaalsContact O-CB 3.28Å; G96-F100 WeakPolarHBondContact O-CB 3.35Å; G96-F100 PolarHBondContact O-N 3.29Å; G96-L326 VanDerWaalsContact CA-CD1 3.49Å |
| 97 | I | 97.3 | Very high | 96.8 | Very high | 14 Ų | 14 | 17 Ų | 17 | 7% | 0.072 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.9 | -45.7 | 178.8 | -69.9 | 172.7 | 0 | 0 | 0 | 111.9 | L92 L93 F100 F101 Y351 P354 W527 | L92-I97 HydrophobicContact CD1-CG1 4.12Å; L92-I97 HydrophobicContact CG-CD1 4.33Å; L92-I97 HydrophobicContact CG-CG1 4.41Å; L92-I97 PolarHBondContact O-N 2.68Å; L93-I97 HydrophobicContact CD2-CD1 4.03Å; I97-F100 PolarHBondContact O-N 3.19Å; I97-F101 WeakPolarHBondContact O-CB 3.09Å; I97-F101 PolarHBondContact O-N 3.18Å; I97-Y351 HydrophobicContact CG2-CD1 4.25Å; I97-Y351 HydrophobicContact CG2-CE1 4.27Å; I97-P354 HydrophobicContact CG1-CB 3.84Å; I97-P354 HydrophobicContact CG1-CG 4.13Å; I97-W527 HydrophobicContact CG2-CH2 3.79Å; I97-W527 HydrophobicContact CG2-CZ3 4.24Å |
| 98 | P | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -56.5 | -49.1 | 174.6 | -29.1 | 36.2 | 0 | 0 | 0 | 114 | L93 C95 F101 L102 W527 N530 W531 T535 | L93-P98 WeakPolarHBondContact O-CD 3.27Å; C95-P98 WeakPolarHBondContact O-CD 3.48Å; P98-F101 PolarHBondContact O-N 2.74Å; P98-L102 WeakPolarHBondContact O-CB 3.3Å; P98-L102 PolarHBondContact O-N 2.88Å; P98-W527 HydrophobicContact CB-CZ3 4.37Å; P98-W527 HydrophobicContact CG-CZ3 4.2Å; P98-N530 VanDerWaalsContact CG-ND2 3.26Å; P98-N530 WeakPolarHBondContact CG-ND2 3.49Å; P98-W531 PolarHBondContact O-NE1 3.39Å; P98-T535 WeakPolarHBondContact CB-OG1 3.26Å |
| 99 | L | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.6 | -41.1 | 178.6 | -74.1 | 170.7 | 0 | 0 | 0 | 111.5 | C95 G96 F101 L102 E103 F323 P328 C495 L499 T535 V539 | C95-L99 WeakPolarHBondContact O-CB 3.28Å; C95-L99 WeakPolarHBondContact O-CG 3.32Å; C95-L99 PolarHBondContact O-N 3.09Å; G96-L99 PolarHBondContact O-N 2.94Å; L99-F101 VanDerWaalsContact C-N 3.34Å; L99-F101 PolarHBondContact O-N 3.27Å; L99-L102 WeakPolarHBondContact O-CB 3.13Å; L99-L102 PolarHBondContact O-N 3.4Å; L99-E103 PolarHBondContact O-N 2.91Å; L99-F323 HydrophobicContact CD1-CE1 3.67Å; L99-F323 HydrophobicContact CD1-CZ 3.62Å; L99-P328 HydrophobicContact CB-CB 3.79Å; L99-P328 HydrophobicContact CB-CG 4.37Å; L99-P328 HydrophobicContact CD1-CB 4.07Å; L99-P328 HydrophobicContact CD1-CG 4.16Å; L99-P328 HydrophobicContact CG-CB 4.49Å; L99-C495 HydrophobicContact CD1-CB 4.49Å; L99-L499 HydrophobicContact CD2-CD1 4.1Å; L99-L499 HydrophobicContact CD2-CD2 3.88Å; L99-L499 HydrophobicContact CD2-CG 3.97Å; L99-T535 HydrophobicContact CD1-CG2 4.25Å; L99-T535 HydrophobicContact CD2-CG2 4.19Å; L99-T535 HydrophobicContact CG-CG2 3.89Å; L99-V539 HydrophobicContact CD1-CG2 4.41Å |
| 100 | F | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 0% | 0.004 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 176.2 | -170 | -76.1 | 0 | 0 | 0 | 111.5 | M59 G96 I97 L102 A104 L326 L333 L353 P354 M357 | M59-F100 HydrophobicContact CE-CE1 4.11Å; M59-F100 HydrophobicContact CE-CE2 3.79Å; M59-F100 HydrophobicContact CE-CZ 3.33Å; G96-F100 VanDerWaalsContact O-CB 3.28Å; G96-F100 WeakPolarHBondContact O-CB 3.35Å; G96-F100 PolarHBondContact O-N 3.29Å; I97-F100 PolarHBondContact O-N 3.19Å; F100-L102 VanDerWaalsContact C-N 3.34Å; F100-L102 PolarHBondContact O-N 3.28Å; F100-A104 HydrophobicContact CE1-CB 4.45Å; F100-A104 WeakPolarHBondContact O-CB 3.22Å; F100-A104 PolarHBondContact O-N 2.93Å; F100-L326 HydrophobicContact CD2-CB 4.46Å; F100-L333 HydrophobicContact CB-CD1 4.38Å; F100-L333 HydrophobicContact CD2-CD1 3.74Å; F100-L333 HydrophobicContact CD2-CD2 3.72Å; F100-L333 HydrophobicContact CD2-CG 4.4Å; F100-L333 HydrophobicContact CE2-CD1 4.35Å; F100-L333 HydrophobicContact CE2-CD2 3.45Å; F100-L333 VanDerWaalsContact CE2-CD2 3.45Å; F100-L333 HydrophobicContact CG-CD1 4.21Å; F100-L333 HydrophobicContact CZ-CD2 4.16Å; F100-L353 HydrophobicContact CE1-CB 4.09Å; F100-L353 HydrophobicContact CE1-CD1 4.05Å; F100-L353 HydrophobicContact CE2-CB 4.43Å; F100-L353 HydrophobicContact CZ-CB 3.64Å; F100-L353 HydrophobicContact CZ-CD1 3.74Å; F100-L353 HydrophobicContact CZ-CG 4.35Å; F100-P354 HydrophobicContact CB-CG 4.16Å; F100-P354 HydrophobicContact CD1-CG 4Å; F100-P354 HydrophobicContact CD2-CG 3.9Å; F100-P354 HydrophobicContact CE1-CG 4.36Å; F100-P354 HydrophobicContact CE2-CG 4.25Å; F100-P354 HydrophobicContact CG-CG 3.75Å; F100-P354 HydrophobicContact CZ-CG 4.46Å; F100-M357 HydrophobicContact CE2-CE 4.13Å; F100-M357 HydrophobicContact CE2-SD 4.28Å; F100-M357 HydrophobicContact CZ-CE 4.37Å |
| 101 | F | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 176.8 | -179 | -140.4 | 0 | 0 | 0 | 111.5 | I97 P98 L99 S105 L347 F515 L523 W527 W531 | I97-F101 WeakPolarHBondContact O-CB 3.09Å; I97-F101 PolarHBondContact O-N 3.18Å; P98-F101 PolarHBondContact O-N 2.74Å; L99-F101 VanDerWaalsContact C-N 3.34Å; L99-F101 PolarHBondContact O-N 3.27Å; F101-S105 VanDerWaalsContact CD2-OG 3.26Å; F101-S105 WeakPolarHBondContact CD2-OG 3.26Å; F101-S105 WeakPolarHBondContact CE2-OG 3.39Å; F101-S105 WeakPolarHBondContact O-CB 3.43Å; F101-S105 PolarHBondContact O-N 3.38Å; F101-S105 VanDerWaalsContact O-N 3.11Å; F101-S105 PolarHBondContact O-OG 2.95Å; F101-L347 HydrophobicContact CD1-CD1 4.34Å; F101-L347 HydrophobicContact CD2-CD1 4.44Å; F101-L347 HydrophobicContact CE1-CD1 3.97Å; F101-L347 HydrophobicContact CE2-CB 4.03Å; F101-L347 HydrophobicContact CE2-CD1 4.07Å; F101-L347 HydrophobicContact CZ-CB 4.32Å; F101-L347 HydrophobicContact CZ-CD1 3.84Å; F101-F515 HydrophobicContact CZ-CD2 4.19Å; F101-L523 HydrophobicContact CZ-CD1 4.08Å; F101-W527 AromaticContact CD1-CD2 3.72Å; F101-W527 HydrophobicContact CD1-CD2 3.72Å; F101-W527 AromaticContact CD1-CE2 3.89Å; F101-W527 AromaticContact CD1-CE3 3.8Å; F101-W527 HydrophobicContact CD1-CE3 3.8Å; F101-W527 HydrophobicContact CD1-CG 4.21Å; F101-W527 HydrophobicContact CD1-CH2 4.22Å; F101-W527 HydrophobicContact CD1-CZ2 4.12Å; F101-W527 HydrophobicContact CD1-CZ3 4.08Å; F101-W527 AromaticContact CE1-CD2 3.91Å; F101-W527 HydrophobicContact CE1-CD2 3.91Å; F101-W527 AromaticContact CE1-CE2 3.98Å; F101-W527 HydrophobicContact CE1-CE3 4.44Å; F101-W527 AromaticContact CE1-CG 3.94Å; F101-W527 HydrophobicContact CE1-CG 3.94Å; F101-W531 HydrophobicContact CB-CZ2 4.4Å; F101-W531 AromaticContact CD1-CH2 3.76Å; F101-W531 HydrophobicContact CD1-CH2 3.76Å; F101-W531 AromaticContact CD1-CZ2 3.31Å; F101-W531 HydrophobicContact CD1-CZ2 3.31Å; F101-W531 AromaticContact CE1-CH2 3.63Å; F101-W531 HydrophobicContact CE1-CH2 3.63Å; F101-W531 AromaticContact CE1-CZ2 3.72Å; F101-W531 HydrophobicContact CE1-CZ2 3.72Å; F101-W531 HydrophobicContact CG-CZ2 4.08Å |
| 102 | L | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.2 | -59.1 | 178.7 | -177.3 | 64 | 0 | 0 | 0 | 111.2 | P98 L99 F100 S105 V106 L499 F502 L511 F515 W531 | P98-L102 WeakPolarHBondContact O-CB 3.3Å; P98-L102 PolarHBondContact O-N 2.88Å; L99-L102 WeakPolarHBondContact O-CB 3.13Å; L99-L102 PolarHBondContact O-N 3.4Å; F100-L102 VanDerWaalsContact C-N 3.34Å; F100-L102 PolarHBondContact O-N 3.28Å; L102-S105 PolarHBondContact O-N 3.41Å; L102-V106 HydrophobicContact CD1-CG2 4.33Å; L102-V106 VanDerWaalsContact O-CG2 3.31Å; L102-V106 WeakPolarHBondContact O-CG2 3.39Å; L102-V106 PolarHBondContact O-N 3.36Å; L102-L499 HydrophobicContact CD2-CD2 3.91Å; L102-F502 HydrophobicContact CD1-CB 4.18Å; L102-F502 HydrophobicContact CD1-CG 4.47Å; L102-F502 HydrophobicContact CD2-CB 4.32Å; L102-F502 HydrophobicContact CD2-CD2 3.98Å; L102-F502 HydrophobicContact CG-CD2 4.26Å; L102-L511 HydrophobicContact CD1-CD2 3.36Å; L102-F515 HydrophobicContact CD1-CE2 4.47Å; L102-W531 HydrophobicContact CB-CZ2 4.05Å; L102-W531 HydrophobicContact CD1-CD2 4.18Å; L102-W531 HydrophobicContact CD1-CE3 4.36Å; L102-W531 HydrophobicContact CD1-CH2 4.41Å; L102-W531 HydrophobicContact CD1-CZ2 4.18Å; L102-W531 HydrophobicContact CD1-CZ3 4.49Å |
| 103 | E | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64 | -47.3 | -174.8 | -78.7 | -172.7 | -132.3 | 0 | 0 | 112.7 | L99 S105 V106 G107 P328 G329 L333 I334 | L99-E103 PolarHBondContact O-N 2.91Å; E103-S105 VanDerWaalsContact C-N 3.27Å; E103-S105 PolarHBondContact O-N 3.2Å; E103-V106 PolarHBondContact O-N 2.94Å; E103-G107 PolarHBondContact O-N 2.98Å; E103-P328 WeakPolarHBondContact OE1-CA 3.25Å; E103-P328 WeakPolarHBondContact OE1-CB 3.45Å; E103-G329 PolarHBondContact OE1-N 2.88Å; E103-L333 HydrophobicContact CB-CB 3.83Å; E103-L333 HydrophobicContact CB-CD1 4.3Å; E103-I334 HydrophobicContact CB-CD1 4.4Å; E103-I334 HydrophobicContact CB-CG1 3.65Å; E103-I334 HydrophobicContact CG-CD1 4.1Å; E103-I334 HydrophobicContact CG-CG1 3.87Å |
| 104 | A | 96.9 | Very high | 96 | Very high | 2 Ų | 2 | 6 Ų | 6 | 2% | 0.017 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -61.8 | -38.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F100 Q108 | F100-A104 HydrophobicContact CE1-CB 4.45Å; F100-A104 WeakPolarHBondContact O-CB 3.22Å; F100-A104 PolarHBondContact O-N 2.93Å; A104-Q108 WeakPolarHBondContact O-CB 3.47Å; A104-Q108 PolarHBondContact O-N 3.25Å |
| 105 | S | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -74.2 | -39.8 | 179.5 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | F101 L102 E103 G107 Q108 F109 C346 | F101-S105 VanDerWaalsContact CD2-OG 3.26Å; F101-S105 WeakPolarHBondContact CD2-OG 3.26Å; F101-S105 WeakPolarHBondContact CE2-OG 3.39Å; F101-S105 WeakPolarHBondContact O-CB 3.43Å; F101-S105 PolarHBondContact O-N 3.38Å; F101-S105 VanDerWaalsContact O-N 3.11Å; F101-S105 PolarHBondContact O-OG 2.95Å; L102-S105 PolarHBondContact O-N 3.41Å; E103-S105 VanDerWaalsContact C-N 3.27Å; E103-S105 PolarHBondContact O-N 3.2Å; S105-G107 VanDerWaalsContact C-N 3.31Å; S105-G107 PolarHBondContact O-N 3.17Å; S105-Q108 PolarHBondContact O-N 2.93Å; S105-F109 WeakPolarHBondContact O-CB 3.36Å; S105-F109 PolarHBondContact O-N 3.34Å; S105-C346 PolarHBondContact OG-SG 3.28Å |
| 106 | V | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 173.6 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | L102 E103 F109 T110 M117 F502 L511 F515 W611 | L102-V106 HydrophobicContact CD1-CG2 4.33Å; L102-V106 VanDerWaalsContact O-CG2 3.31Å; L102-V106 WeakPolarHBondContact O-CG2 3.39Å; L102-V106 PolarHBondContact O-N 3.36Å; E103-V106 PolarHBondContact O-N 2.94Å; V106-F109 PolarHBondContact O-N 2.82Å; V106-T110 HydrophobicContact CG1-CG2 4.39Å; V106-T110 WeakPolarHBondContact O-CB 3.41Å; V106-T110 WeakPolarHBondContact O-CG2 3.39Å; V106-T110 PolarHBondContact O-N 3.19Å; V106-T110 PolarHBondContact O-OG1 2.83Å; V106-M117 HydrophobicContact CG1-SD 3.41Å; V106-M117 WeakPolarHBondContact CG1-SD 3.28Å; V106-F502 HydrophobicContact CG1-CE1 3.94Å; V106-F502 HydrophobicContact CG1-CZ 3.97Å; V106-F502 HydrophobicContact CG2-CD1 4.23Å; V106-F502 HydrophobicContact CG2-CE1 4.02Å; V106-F502 HydrophobicContact CG2-CZ 4.23Å; V106-L511 HydrophobicContact CG2-CD1 4.42Å; V106-F515 HydrophobicContact CG2-CE1 4.42Å; V106-F515 HydrophobicContact CG2-CZ 3.88Å; V106-W611 HydrophobicContact CG1-CH2 4.34Å |
| 107 | G | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -56 | -54.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E103 S105 F109 T110 S111 I334 S338 | E103-G107 PolarHBondContact O-N 2.98Å; S105-G107 VanDerWaalsContact C-N 3.31Å; S105-G107 PolarHBondContact O-N 3.17Å; G107-F109 PolarHBondContact O-N 3.31Å; G107-T110 PolarHBondContact O-OG1 2.99Å; G107-S111 WeakPolarHBondContact O-CA 3.43Å; G107-S111 PolarHBondContact O-N 2.74Å; G107-I334 VanDerWaalsContact CA-O 3.3Å; G107-I334 WeakPolarHBondContact CA-O 3.39Å; G107-S338 VanDerWaalsContact C-CA 3.46Å; G107-S338 WeakPolarHBondContact O-CA 3.29Å; G107-S338 WeakPolarHBondContact O-CB 3.46Å |
| 108 | Q | 96.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 2.5 Ų | 2.5 | 1% | 0.005 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 179.9 | -174.3 | 177.5 | -61 | 0 | 0 | 112.7 | A104 S105 S111 G337 N340 F342 N344 M518 | A104-Q108 WeakPolarHBondContact O-CB 3.47Å; A104-Q108 PolarHBondContact O-N 3.25Å; S105-Q108 PolarHBondContact O-N 2.93Å; Q108-S111 PolarHBondContact O-OG 3.36Å; Q108-G337 VanDerWaalsContact CA-O 3.26Å; Q108-G337 WeakPolarHBondContact CA-O 3.18Å; Q108-G337 WeakPolarHBondContact CB-O 3.27Å; Q108-G337 PolarHBondContact N-O 2.98Å; Q108-N340 HydrophobicContact CG-CB 3.91Å; Q108-N340 PolarHBondContact OE1-ND2 3.49Å; Q108-F342 PolarHBondContact NE2-O 2.99Å; Q108-N344 PolarHBondContact NE2-O 2.86Å; Q108-N344 PolarHBondContact OE1-ND2 2.64Å; Q108-M518 HydrophobicContact CB-CE 4.43Å; Q108-M518 HydrophobicContact CB-SD 4.01Å; Q108-M518 HydrophobicContact CG-CE 4.41Å; Q108-M518 HydrophobicContact CG-SD 3.77Å; Q108-M518 PolarHBondContact NE2-SD 3.29Å |
| 109 | F | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -65.8 | -46.2 | -178 | 179.1 | -104.7 | 0 | 0 | 0 | 112 | S105 V106 G107 F342 D514 F515 M518 W611 P613 W622 | S105-F109 WeakPolarHBondContact O-CB 3.36Å; S105-F109 PolarHBondContact O-N 3.34Å; V106-F109 PolarHBondContact O-N 2.82Å; G107-F109 PolarHBondContact O-N 3.31Å; F109-F342 AromaticContact CD2-CE2 3.82Å; F109-F342 HydrophobicContact CD2-CE2 3.82Å; F109-F342 AromaticContact CD2-CZ 3.89Å; F109-F342 HydrophobicContact CD2-CZ 3.89Å; F109-F342 HydrophobicContact CE2-CE2 4.29Å; F109-F342 HydrophobicContact CE2-CZ 4.06Å; F109-F342 WeakPolarHBondContact O-CE2 3.46Å; F109-D514 HydrophobicContact CD2-CB 4.33Å; F109-D514 HydrophobicContact CE1-CB 4.36Å; F109-D514 HydrophobicContact CE2-CB 3.78Å; F109-D514 HydrophobicContact CZ-CB 3.79Å; F109-F515 HydrophobicContact CB-CE1 4.3Å; F109-M518 VanDerWaalsContact CA-SD 3.56Å; F109-M518 HydrophobicContact CB-SD 3.75Å; F109-M518 HydrophobicContact CD2-CB 4.3Å; F109-M518 HydrophobicContact CD2-SD 4.28Å; F109-W611 HydrophobicContact CD1-CH2 4.45Å; F109-W611 HydrophobicContact CD1-CZ2 4.17Å; F109-W611 HydrophobicContact CE1-CZ2 4.03Å; F109-P613 HydrophobicContact CE2-CG 3.97Å; F109-P613 HydrophobicContact CZ-CG 4.03Å; F109-P613 WeakPolarHBondContact O-CA 3.38Å; F109-W622 HydrophobicContact CZ-CD2 4.24Å; F109-W622 AromaticContact CZ-CE2 3.76Å; F109-W622 HydrophobicContact CZ-CG 4.39Å; F109-W622 HydrophobicContact CZ-CZ2 4.16Å; F109-W622 AromaticContact CZ-NE1 3.61Å |
| 110 | T | 93.2 | Very high | 95 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -81.3 | -25.8 | -177.6 | 58.9 | 0 | 0 | 0 | 0 | 112.7 | V106 G107 R112 M117 W611 S614 | V106-T110 HydrophobicContact CG1-CG2 4.39Å; V106-T110 WeakPolarHBondContact O-CB 3.41Å; V106-T110 WeakPolarHBondContact O-CG2 3.39Å; V106-T110 PolarHBondContact O-N 3.19Å; V106-T110 PolarHBondContact O-OG1 2.83Å; G107-T110 PolarHBondContact O-OG1 2.99Å; T110-R112 PolarHBondContact O-N 3.23Å; T110-R112 PolarHBondContact OG1-N 2.88Å; T110-M117 HydrophobicContact CG2-CB 4.39Å; T110-W611 HydrophobicContact CG2-CE3 4Å; T110-W611 HydrophobicContact CG2-CH2 3.55Å; T110-W611 HydrophobicContact CG2-CZ2 4.49Å; T110-W611 HydrophobicContact CG2-CZ3 3.25Å; T110-S614 VanDerWaalsContact O-CB 3.32Å; T110-S614 WeakPolarHBondContact O-CB 3.33Å; T110-S614 PolarHBondContact O-N 3.2Å |
| 111 | S | 93.2 | Very high | 94.9 | Very high | 12 Ų | 12 | 3 Ų | 3 | 8% | 0.084 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 48.2 | -166.5 | -47.3 | 0 | 0 | 0 | 0 | 110.5 | R46 G107 Q108 | R46-S111 PolarHBondContact NH1-O 3.44Å; G107-S111 WeakPolarHBondContact O-CA 3.43Å; G107-S111 PolarHBondContact O-N 2.74Å; Q108-S111 PolarHBondContact O-OG 3.36Å |
| 112 | R | 91.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 3.8 Ų | 3.8 | 8% | 0.079 | 2% | 0.022 | C | C | . | . | trans | -134 | 155.9 | 176.8 | -71.9 | -173.6 | -173 | 159.9 | 12.4 | 112 | R46 T110 M117 S119 S338 T610 | R46-R112 VanDerWaalsContact NH1-CA 3.29Å; T110-R112 PolarHBondContact O-N 3.23Å; T110-R112 PolarHBondContact OG1-N 2.88Å; R112-M117 HydrophobicContact CB-CB 4.28Å; R112-S119 PolarHBondContact NH1-OG 2.89Å; R112-S338 VanDerWaalsContact O-CB 3.25Å; R112-S338 WeakPolarHBondContact O-CB 3.19Å; R112-T610 PolarHBondContact NH1-O 2.94Å; R112-T610 VanDerWaalsContact NH1-O 3.16Å; R112-T610 PolarHBondContact NH2-O 3.48Å | ||
| 113 | S | 92.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.025 | C | C | . | . | trans | -63.1 | 159.2 | 169.9 | 45.4 | 0 | 0 | 0 | 0 | 113.6 | A115 T116 M117 A437 D440 | S113-A115 PolarHBondContact O-N 3.41Å; S113-A115 VanDerWaalsContact O-N 3.09Å; S113-T116 PolarHBondContact O-N 3.08Å; S113-T116 PolarHBondContact O-OG1 3.15Å; S113-T116 PolarHBondContact OG-OG1 3.26Å; S113-M117 PolarHBondContact O-N 3.33Å; S113-M117 VanDerWaalsContact O-N 3.09Å; S113-A437 WeakPolarHBondContact OG-CA 3.23Å; S113-D440 WeakPolarHBondContact CB-OD2 3.3Å; S113-D440 PolarHBondContact N-OD2 2.63Å; S113-D440 PolarHBondContact OG-OD2 3.32Å | ||
| 114 | A | 93.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 4.8 Ų | 4.8 | 1% | 0.008 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -31 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | W118 G128 T131 I334 | A114-W118 PolarHBondContact O-NE1 3.43Å; A114-G128 WeakPolarHBondContact O-CA 3.28Å; A114-T131 HydrophobicContact CB-CG2 4.48Å; A114-I334 HydrophobicContact CB-CB 4.24Å; A114-I334 HydrophobicContact CB-CD1 4.23Å; A114-I334 HydrophobicContact CB-CG2 4.38Å |
| 115 | A | 93.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -25.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S113 W129 I132 A437 | S113-A115 PolarHBondContact O-N 3.41Å; S113-A115 VanDerWaalsContact O-N 3.09Å; A115-W129 HydrophobicContact CB-CD2 4.17Å; A115-W129 HydrophobicContact CB-CE3 4.3Å; A115-W129 HydrophobicContact CB-CH2 4.46Å; A115-W129 HydrophobicContact CB-CZ2 4.33Å; A115-W129 HydrophobicContact CB-CZ3 4.44Å; A115-I132 HydrophobicContact CB-CG1 3.92Å; A115-A437 HydrophobicContact CB-CB 3.64Å |
| 116 | T | 91 | Very high | 94.5 | Very high | 12 Ų | 12 | 7.2 Ų | 7.2 | 7% | 0.074 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -12.4 | -169.1 | 62.5 | 0 | 0 | 0 | 0 | 114 | S113 W118 D440 E441 | S113-T116 PolarHBondContact O-N 3.08Å; S113-T116 PolarHBondContact O-OG1 3.15Å; S113-T116 PolarHBondContact OG-OG1 3.26Å; T116-W118 PolarHBondContact O-N 2.93Å; T116-D440 HydrophobicContact CG2-CB 3.82Å; T116-E441 HydrophobicContact CG2-CB 4.39Å |
| 117 | M | 93.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | -65.4 | -18.6 | 175.5 | 60.3 | 143.8 | -173 | 0 | 0 | 114.4 | V106 T110 R112 S113 S119 I120 I334 F502 W611 | V106-M117 HydrophobicContact CG1-SD 3.41Å; V106-M117 WeakPolarHBondContact CG1-SD 3.28Å; T110-M117 HydrophobicContact CG2-CB 4.39Å; R112-M117 HydrophobicContact CB-CB 4.28Å; S113-M117 PolarHBondContact O-N 3.33Å; S113-M117 VanDerWaalsContact O-N 3.09Å; M117-S119 PolarHBondContact O-N 3.3Å; M117-S119 PolarHBondContact O-OG 2.83Å; M117-S119 VanDerWaalsContact O-OG 3.13Å; M117-I120 PolarHBondContact O-N 3.19Å; M117-I334 HydrophobicContact CE-CD1 3.34Å; M117-I334 HydrophobicContact SD-CD1 3.91Å; M117-I334 HydrophobicContact SD-CG2 4.11Å; M117-F502 HydrophobicContact CE-CE2 4.28Å; M117-F502 HydrophobicContact CE-CZ 3.63Å; M117-F502 HydrophobicContact SD-CE1 4.32Å; M117-F502 HydrophobicContact SD-CZ 3.69Å; M117-W611 WeakPolarHBondContact O-CZ3 3.46Å |
| 118 | W | 95.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 7.2 Ų | 7.2 | 1% | 0.011 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | -64.4 | 11.3 | -175.2 | -64.4 | 96.1 | 0 | 0 | 0 | 116.1 | A114 T116 I120 C121 F124 K125 V127 G128 E498 | A114-W118 PolarHBondContact O-NE1 3.43Å; T116-W118 PolarHBondContact O-N 2.93Å; W118-I120 PolarHBondContact O-N 2.93Å; W118-C121 CarbonylContact O-C 3.59Å; W118-C121 PolarHBondContact O-N 2.97Å; W118-C121 VanDerWaalsContact O-N 3.12Å; W118-F124 HydrophobicContact CD2-CB 4.31Å; W118-F124 VanDerWaalsContact CD2-O 3.26Å; W118-F124 HydrophobicContact CE3-CB 3.39Å; W118-F124 HydrophobicContact CH2-CB 4.2Å; W118-F124 HydrophobicContact CZ3-CB 3.32Å; W118-F124 HydrophobicContact CZ3-CD2 4.47Å; W118-F124 HydrophobicContact CZ3-CG 4.21Å; W118-K125 HydrophobicContact CB-CB 3.83Å; W118-K125 HydrophobicContact CB-CG 4.27Å; W118-K125 HydrophobicContact CG-CB 4.47Å; W118-V127 HydrophobicContact CH2-CB 3.67Å; W118-V127 HydrophobicContact CH2-CG1 3.6Å; W118-V127 HydrophobicContact CH2-CG2 4.28Å; W118-V127 HydrophobicContact CZ2-CB 3.52Å; W118-V127 HydrophobicContact CZ2-CG1 3.45Å; W118-V127 VanDerWaalsContact CZ2-CG1 3.45Å; W118-V127 HydrophobicContact CZ3-CB 4.36Å; W118-G128 VanDerWaalsContact NE1-N 3.15Å; W118-E498 HydrophobicContact CH2-CG 3.64Å; W118-E498 HydrophobicContact CZ2-CG 3.96Å |
| 119 | S | 91.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 10.4 Ų | 10.4 | 7% | 0.07 | 5% | 0.049 | C | C | . | . | G | 310 helix | trans | -55.9 | -19.4 | 160.3 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | R112 M117 P607 T608 T610 | R112-S119 PolarHBondContact NH1-OG 2.89Å; M117-S119 PolarHBondContact O-N 3.3Å; M117-S119 PolarHBondContact O-OG 2.83Å; M117-S119 VanDerWaalsContact O-OG 3.13Å; S119-P607 WeakPolarHBondContact O-CA 3.29Å; S119-T608 VanDerWaalsContact CB-OG1 3.23Å; S119-T608 WeakPolarHBondContact CB-OG1 3.4Å; S119-T608 PolarHBondContact O-N 3.44Å; S119-T608 PolarHBondContact O-OG1 3.29Å; S119-T608 VanDerWaalsContact O-OG1 3.12Å; S119-T610 WeakPolarHBondContact CB-OG1 3.3Å |
| 120 | I | 94.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | G | 310 helix | trans | -64.3 | -38.2 | 170.6 | -173.7 | 155.8 | 0 | 0 | 0 | 113.1 | M117 W118 F502 Y506 P607 W611 | M117-I120 PolarHBondContact O-N 3.19Å; W118-I120 PolarHBondContact O-N 2.93Å; I120-F502 HydrophobicContact CD1-CD1 3.64Å; I120-F502 HydrophobicContact CD1-CE1 4Å; I120-F502 HydrophobicContact CG2-CD1 4.38Å; I120-F502 HydrophobicContact CG2-CE1 3.86Å; I120-Y506 HydrophobicContact CD1-CD1 3.5Å; I120-Y506 HydrophobicContact CD1-CD2 3.85Å; I120-Y506 HydrophobicContact CD1-CE1 4.1Å; I120-Y506 HydrophobicContact CD1-CE2 4.41Å; I120-Y506 HydrophobicContact CD1-CG 3.35Å; I120-Y506 HydrophobicContact CG1-CD1 4.32Å; I120-Y506 HydrophobicContact CG1-CD2 3.74Å; I120-Y506 HydrophobicContact CG1-CE2 4.41Å; I120-Y506 HydrophobicContact CG1-CG 3.68Å; I120-P607 WeakPolarHBondContact O-CA 3.35Å; I120-P607 WeakPolarHBondContact O-CG 3.49Å; I120-W611 HydrophobicContact CB-CD2 3.77Å; I120-W611 HydrophobicContact CB-CE3 3.52Å; I120-W611 HydrophobicContact CB-CH2 3.84Å; I120-W611 HydrophobicContact CB-CZ2 4.11Å; I120-W611 HydrophobicContact CB-CZ3 3.54Å; I120-W611 HydrophobicContact CD1-CD2 4.48Å; I120-W611 HydrophobicContact CD1-CH2 3.58Å; I120-W611 HydrophobicContact CD1-CZ2 3.4Å; I120-W611 VanDerWaalsContact CD1-CZ2 3.4Å; I120-W611 HydrophobicContact CD1-CZ3 4.22Å; I120-W611 HydrophobicContact CG1-CD2 4.3Å; I120-W611 HydrophobicContact CG1-CE3 4.46Å; I120-W611 HydrophobicContact CG1-CH2 4.23Å; I120-W611 HydrophobicContact CG1-CZ2 4.11Å; I120-W611 HydrophobicContact CG1-CZ3 4.4Å; I120-W611 HydrophobicContact CG2-CE3 4.41Å; I120-W611 HydrophobicContact CG2-CH2 4.43Å; I120-W611 HydrophobicContact CG2-CZ3 4.07Å |
| 121 | C | 96.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.007 | 5% | 0.049 | C | C | . | . | trans | -149.9 | 91.3 | -178.7 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | W118 L123 F124 S501 | W118-C121 CarbonylContact O-C 3.59Å; W118-C121 PolarHBondContact O-N 2.97Å; W118-C121 VanDerWaalsContact O-N 3.12Å; C121-L123 PolarHBondContact O-N 3.25Å; C121-L123 VanDerWaalsContact O-N 3.08Å; C121-F124 HydrophobicContact CB-CD2 4.11Å; C121-F124 PolarHBondContact O-N 3.27Å; C121-F124 WeakPolarHBondContact SG-CD2 3.22Å; C121-S501 VanDerWaalsContact CB-OG 3.29Å; C121-S501 WeakPolarHBondContact CB-OG 3.5Å | ||
| 122 | P | 94.9 | Very high | 95 | Very high | 15 Ų | 15 | 10.2 Ų | 10.2 | 10% | 0.097 | 5% | 0.047 | C | C | . | . | G | 310 helix | trans | -53.5 | -28.8 | -178.4 | -33 | 38.2 | 0 | 0 | 0 | 115.5 | F124 K125 C604 T606 T608 | P122-F124 PolarHBondContact O-N 3.02Å; P122-K125 PolarHBondContact O-N 3.47Å; P122-C604 WeakPolarHBondContact CD-O 3.49Å; P122-T606 VanDerWaalsContact CD-O 3.31Å; P122-T606 WeakPolarHBondContact CD-O 3.45Å; P122-T608 HydrophobicContact CB-CG2 4.46Å; P122-T608 HydrophobicContact CG-CG2 3.23Å |
| 123 | L | 96.3 | Very high | 95.2 | Very high | 14 Ų | 14 | 11.1 Ų | 11.1 | 7% | 0.073 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -56.7 | -36.5 | 176 | -170.9 | 62.8 | 0 | 0 | 0 | 111.6 | C121 M585 L589 L601 C604 T605 | C121-L123 PolarHBondContact O-N 3.25Å; C121-L123 VanDerWaalsContact O-N 3.08Å; L123-M585 HydrophobicContact CD1-CB 4.03Å; L123-M585 HydrophobicContact CD1-CG 4.18Å; L123-M585 HydrophobicContact CG-CB 4.47Å; L123-M585 HydrophobicContact CG-CG 4.08Å; L123-M585 WeakPolarHBondContact O-CG 3.24Å; L123-L589 HydrophobicContact CD1-CD1 4.07Å; L123-L589 HydrophobicContact CD1-CD2 4.09Å; L123-L589 HydrophobicContact CD1-CG 3.77Å; L123-L601 HydrophobicContact CD2-CD1 4.11Å; L123-C604 HydrophobicContact CB-CB 3.98Å; L123-C604 WeakPolarHBondContact CB-O 3.36Å; L123-C604 HydrophobicContact CD1-CB 4.13Å; L123-C604 PolarHBondContact N-O 3.24Å; L123-T605 HydrophobicContact CD2-CG2 3.93Å |
| 124 | F | 96.5 | Very high | 95.3 | Very high | 8 Ų | 8 | 11.2 Ų | 11.2 | 4% | 0.035 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -98.8 | 12.4 | -173.6 | -66.6 | -52.4 | 0 | 0 | 0 | 114.6 | W118 C121 P122 G126 V127 L497 L500 L505 M585 | W118-F124 HydrophobicContact CD2-CB 4.31Å; W118-F124 VanDerWaalsContact CD2-O 3.26Å; W118-F124 HydrophobicContact CE3-CB 3.39Å; W118-F124 HydrophobicContact CH2-CB 4.2Å; W118-F124 HydrophobicContact CZ3-CB 3.32Å; W118-F124 HydrophobicContact CZ3-CD2 4.47Å; W118-F124 HydrophobicContact CZ3-CG 4.21Å; C121-F124 HydrophobicContact CB-CD2 4.11Å; C121-F124 PolarHBondContact O-N 3.27Å; C121-F124 WeakPolarHBondContact SG-CD2 3.22Å; P122-F124 PolarHBondContact O-N 3.02Å; F124-G126 PolarHBondContact O-N 3.5Å; F124-V127 HydrophobicContact CB-CG2 3.89Å; F124-V127 HydrophobicContact CD1-CG2 3.9Å; F124-V127 HydrophobicContact CG-CG2 4.26Å; F124-V127 VanDerWaalsContact O-CB 3.25Å; F124-V127 WeakPolarHBondContact O-CB 3.31Å; F124-V127 WeakPolarHBondContact O-CG2 3.46Å; F124-V127 PolarHBondContact O-N 3.2Å; F124-L497 HydrophobicContact CE1-CD2 3.82Å; F124-L497 HydrophobicContact CZ-CD2 4.27Å; F124-L500 HydrophobicContact CE2-CD2 4.34Å; F124-L500 HydrophobicContact CE2-CG 4.36Å; F124-L500 HydrophobicContact CZ-CD2 3.77Å; F124-L500 HydrophobicContact CZ-CG 4.28Å; F124-L505 HydrophobicContact CD2-CD1 4.26Å; F124-L505 HydrophobicContact CE2-CD1 3.51Å; F124-L505 HydrophobicContact CZ-CD1 4.38Å; F124-M585 HydrophobicContact CD1-CE 3.86Å; F124-M585 HydrophobicContact CD1-CG 4.46Å; F124-M585 HydrophobicContact CD1-SD 4.09Å; F124-M585 HydrophobicContact CE1-CE 3.76Å; F124-M585 HydrophobicContact CE1-SD 3.74Å |
| 125 | K | 95.6 | Very high | 95.3 | Very high | 51 Ų | 51 | 11.2 Ų | 11.2 | 22% | 0.222 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -57.2 | -26.1 | 173.9 | -178.3 | 174.2 | -177.6 | -178.6 | 0 | 113 | W118 P122 V127 G128 W129 E441 Y584 | W118-K125 HydrophobicContact CB-CB 3.83Å; W118-K125 HydrophobicContact CB-CG 4.27Å; W118-K125 HydrophobicContact CG-CB 4.47Å; P122-K125 PolarHBondContact O-N 3.47Å; K125-V127 VanDerWaalsContact C-N 3.3Å; K125-V127 PolarHBondContact O-N 3.42Å; K125-G128 PolarHBondContact O-N 3.17Å; K125-W129 PolarHBondContact O-N 2.74Å; K125-E441 IonicContact NZ-OE1 3.56Å; K125-E441 IonicContact NZ-OE2 3.97Å; K125-E441 PolarHBondContact NZ-OE2 3.03Å; K125-Y584 HydrophobicContact CB-CD1 4.31Å; K125-Y584 HydrophobicContact CB-CE1 3.58Å; K125-Y584 HydrophobicContact CG-CE1 4.38Å |
| 126 | G | 96.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.6 | -30.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F124 G128 W129 A130 Y584 | F124-G126 PolarHBondContact O-N 3.5Å; G126-G128 VanDerWaalsContact C-N 3.35Å; G126-W129 PolarHBondContact O-N 3.41Å; G126-A130 WeakPolarHBondContact O-CB 3.35Å; G126-A130 PolarHBondContact O-N 2.89Å; G126-Y584 VanDerWaalsContact N-CD1 3.32Å |
| 127 | V | 97.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | W118 F124 K125 W129 A130 T131 I494 L497 E498 M581 | W118-V127 HydrophobicContact CH2-CB 3.67Å; W118-V127 HydrophobicContact CH2-CG1 3.6Å; W118-V127 HydrophobicContact CH2-CG2 4.28Å; W118-V127 HydrophobicContact CZ2-CB 3.52Å; W118-V127 HydrophobicContact CZ2-CG1 3.45Å; W118-V127 VanDerWaalsContact CZ2-CG1 3.45Å; W118-V127 HydrophobicContact CZ3-CB 4.36Å; F124-V127 HydrophobicContact CB-CG2 3.89Å; F124-V127 HydrophobicContact CD1-CG2 3.9Å; F124-V127 HydrophobicContact CG-CG2 4.26Å; F124-V127 VanDerWaalsContact O-CB 3.25Å; F124-V127 WeakPolarHBondContact O-CB 3.31Å; F124-V127 WeakPolarHBondContact O-CG2 3.46Å; F124-V127 PolarHBondContact O-N 3.2Å; K125-V127 VanDerWaalsContact C-N 3.3Å; K125-V127 PolarHBondContact O-N 3.42Å; V127-W129 VanDerWaalsContact C-N 3.34Å; V127-W129 PolarHBondContact O-N 3.3Å; V127-A130 WeakPolarHBondContact O-CB 3.31Å; V127-A130 PolarHBondContact O-N 3.16Å; V127-A130 VanDerWaalsContact O-N 3.15Å; V127-T131 PolarHBondContact O-N 3.23Å; V127-T131 PolarHBondContact O-OG1 2.83Å; V127-I494 HydrophobicContact CG1-CB 4.44Å; V127-I494 HydrophobicContact CG1-CG1 4.44Å; V127-I494 HydrophobicContact CG1-CG2 3.92Å; V127-L497 HydrophobicContact CG1-CB 4.39Å; V127-L497 HydrophobicContact CG2-CB 3.87Å; V127-L497 HydrophobicContact CG2-CD1 3.59Å; V127-L497 HydrophobicContact CG2-CG 4.39Å; V127-E498 HydrophobicContact CG1-CG 4.49Å; V127-M581 HydrophobicContact CG1-CE 4.34Å; V127-M581 HydrophobicContact CG2-CG 4.3Å |
| 128 | G | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.5 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A114 W118 K125 G126 T131 I132 | A114-G128 WeakPolarHBondContact O-CA 3.28Å; W118-G128 VanDerWaalsContact NE1-N 3.15Å; K125-G128 PolarHBondContact O-N 3.17Å; G126-G128 VanDerWaalsContact C-N 3.35Å; G128-T131 WeakPolarHBondContact O-CB 3.42Å; G128-T131 PolarHBondContact O-N 3.46Å; G128-I132 WeakPolarHBondContact O-CG1 3.14Å; G128-I132 PolarHBondContact O-N 3.29Å |
| 129 | W | 96.2 | Very high | 95.4 | Very high | 67 Ų | 67 | 14.2 Ų | 14.2 | 25% | 0.254 | 7% | 0.069 | S | C | . | . | H | α-helix | trans | -71.8 | -35.2 | 175.3 | -71.3 | 108.4 | 0 | 0 | 0 | 112.7 | A115 K125 G126 V127 T131 I132 I133 E441 M580 | A115-W129 HydrophobicContact CB-CD2 4.17Å; A115-W129 HydrophobicContact CB-CE3 4.3Å; A115-W129 HydrophobicContact CB-CH2 4.46Å; A115-W129 HydrophobicContact CB-CZ2 4.33Å; A115-W129 HydrophobicContact CB-CZ3 4.44Å; K125-W129 PolarHBondContact O-N 2.74Å; G126-W129 PolarHBondContact O-N 3.41Å; V127-W129 VanDerWaalsContact C-N 3.34Å; V127-W129 PolarHBondContact O-N 3.3Å; W129-T131 VanDerWaalsContact C-N 3.32Å; W129-I132 PolarHBondContact O-N 3.29Å; W129-I133 WeakPolarHBondContact O-CG1 3.26Å; W129-I133 PolarHBondContact O-N 3.12Å; W129-E441 HydrophobicContact CH2-CB 4.04Å; W129-E441 HydrophobicContact CH2-CG 4.13Å; W129-E441 HydrophobicContact CZ2-CB 4.06Å; W129-E441 HydrophobicContact CZ2-CG 3.87Å; W129-M580 HydrophobicContact CB-CG 4.02Å |
| 130 | A | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G126 V127 I132 I133 I134 S577 M580 M581 | G126-A130 WeakPolarHBondContact O-CB 3.35Å; G126-A130 PolarHBondContact O-N 2.89Å; V127-A130 WeakPolarHBondContact O-CB 3.31Å; V127-A130 PolarHBondContact O-N 3.16Å; V127-A130 VanDerWaalsContact O-N 3.15Å; A130-I132 VanDerWaalsContact C-N 3.32Å; A130-I132 PolarHBondContact O-N 3.06Å; A130-I133 PolarHBondContact O-N 2.96Å; A130-I133 VanDerWaalsContact O-N 3.16Å; A130-I134 WeakPolarHBondContact O-CG2 3.1Å; A130-I134 PolarHBondContact O-N 3.45Å; A130-S577 VanDerWaalsContact CB-O 3.3Å; A130-S577 WeakPolarHBondContact CB-O 3.32Å; A130-S577 PolarHBondContact O-OG 2.97Å; A130-M580 HydrophobicContact CB-CB 4.24Å; A130-M581 HydrophobicContact CB-CE 3.66Å; A130-M581 HydrophobicContact CB-CG 3.72Å |
| 131 | T | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -55.2 | -44.4 | 172.9 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | A114 V127 G128 W129 I134 T135 G329 W330 | A114-T131 HydrophobicContact CB-CG2 4.48Å; V127-T131 PolarHBondContact O-N 3.23Å; V127-T131 PolarHBondContact O-OG1 2.83Å; G128-T131 WeakPolarHBondContact O-CB 3.42Å; G128-T131 PolarHBondContact O-N 3.46Å; W129-T131 VanDerWaalsContact C-N 3.32Å; T131-I134 WeakPolarHBondContact O-CG2 3.3Å; T131-T135 VanDerWaalsContact O-CB 3.25Å; T131-T135 WeakPolarHBondContact O-CB 3.49Å; T131-T135 PolarHBondContact O-N 3.15Å; T131-T135 VanDerWaalsContact O-N 3.08Å; T131-T135 PolarHBondContact O-OG1 3.45Å; T131-G329 WeakPolarHBondContact CG2-O 3.09Å; T131-W330 WeakPolarHBondContact CG2-O 3.45Å |
| 132 | I | 96.8 | Very high | 95.2 | Very high | 8 Ų | 8 | 15.9 Ų | 15.9 | 4% | 0.041 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.9 | -43.6 | 176.8 | -58.9 | -47.8 | 0 | 0 | 0 | 111.5 | A115 G128 W129 A130 T135 L136 T433 A434 A437 | A115-I132 HydrophobicContact CB-CG1 3.92Å; G128-I132 WeakPolarHBondContact O-CG1 3.14Å; G128-I132 PolarHBondContact O-N 3.29Å; W129-I132 PolarHBondContact O-N 3.29Å; A130-I132 VanDerWaalsContact C-N 3.32Å; A130-I132 PolarHBondContact O-N 3.06Å; I132-T135 PolarHBondContact O-N 3.15Å; I132-L136 HydrophobicContact CG2-CD1 3.92Å; I132-L136 HydrophobicContact CG2-CG 4.26Å; I132-L136 WeakPolarHBondContact O-CB 3.33Å; I132-L136 VanDerWaalsContact O-CG 3.25Å; I132-L136 WeakPolarHBondContact O-CG 3.49Å; I132-L136 PolarHBondContact O-N 3.04Å; I132-T433 HydrophobicContact CD1-CG2 3.67Å; I132-A434 HydrophobicContact CG2-CB 3.85Å; I132-A437 HydrophobicContact CD1-CB 3.61Å; I132-A437 HydrophobicContact CG1-CB 3.66Å |
| 133 | I | 95.5 | Very high | 95.2 | Very high | 41 Ų | 41 | 15.1 Ų | 15.1 | 21% | 0.21 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.1 | -47.8 | -179.4 | -69.1 | 166.1 | 0 | 0 | 0 | 110.8 | W129 A130 T135 L136 I137 L576 M580 | W129-I133 WeakPolarHBondContact O-CG1 3.26Å; W129-I133 PolarHBondContact O-N 3.12Å; A130-I133 PolarHBondContact O-N 2.96Å; A130-I133 VanDerWaalsContact O-N 3.16Å; I133-T135 VanDerWaalsContact C-N 3.34Å; I133-T135 PolarHBondContact O-N 2.94Å; I133-L136 PolarHBondContact O-N 3.28Å; I133-I137 HydrophobicContact CG2-CD1 3.94Å; I133-I137 WeakPolarHBondContact O-CG1 3.39Å; I133-I137 PolarHBondContact O-N 2.83Å; I133-L576 HydrophobicContact CG2-CB 4.27Å; I133-M580 HydrophobicContact CD1-CB 4.43Å; I133-M580 HydrophobicContact CD1-CE 3.75Å; I133-M580 HydrophobicContact CD1-CG 4.44Å |
| 134 | I | 94.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.7 | -38.8 | -179.4 | -168.4 | 55.5 | 0 | 0 | 0 | 111.6 | A130 T131 L136 I137 V138 W330 C486 T490 I494 | A130-I134 WeakPolarHBondContact O-CG2 3.1Å; A130-I134 PolarHBondContact O-N 3.45Å; T131-I134 WeakPolarHBondContact O-CG2 3.3Å; I134-L136 VanDerWaalsContact C-N 3.32Å; I134-L136 PolarHBondContact O-N 3Å; I134-I137 PolarHBondContact O-N 2.99Å; I134-V138 WeakPolarHBondContact O-CG2 3.13Å; I134-V138 PolarHBondContact O-N 3.18Å; I134-W330 HydrophobicContact CB-CZ3 4.47Å; I134-W330 HydrophobicContact CG1-CH2 4.15Å; I134-W330 HydrophobicContact CG1-CZ3 3.77Å; I134-W330 HydrophobicContact CG2-CE3 4.32Å; I134-W330 HydrophobicContact CG2-CZ3 4.17Å; I134-C486 HydrophobicContact CD1-CB 3.76Å; I134-C486 VanDerWaalsContact CD1-O 3.24Å; I134-C486 WeakPolarHBondContact CD1-O 3.43Å; I134-T490 HydrophobicContact CB-CG2 4.12Å; I134-T490 HydrophobicContact CG1-CG2 4.12Å; I134-T490 HydrophobicContact CG2-CG2 4.31Å; I134-I494 HydrophobicContact CG2-CD1 3.94Å |
| 135 | T | 94.7 | Very high | 95 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 174.8 | -60.4 | 0 | 0 | 0 | 0 | 111.8 | T131 I132 I133 V138 S139 W330 M430 | T131-T135 VanDerWaalsContact O-CB 3.25Å; T131-T135 WeakPolarHBondContact O-CB 3.49Å; T131-T135 PolarHBondContact O-N 3.15Å; T131-T135 VanDerWaalsContact O-N 3.08Å; T131-T135 PolarHBondContact O-OG1 3.45Å; I132-T135 PolarHBondContact O-N 3.15Å; I133-T135 VanDerWaalsContact C-N 3.34Å; I133-T135 PolarHBondContact O-N 2.94Å; T135-V138 PolarHBondContact O-N 2.97Å; T135-S139 WeakPolarHBondContact O-CB 3.46Å; T135-S139 PolarHBondContact O-N 3.3Å; T135-S139 PolarHBondContact O-OG 3.03Å; T135-W330 PolarHBondContact OG1-O 3.41Å; T135-M430 HydrophobicContact CG2-CB 3.52Å; T135-M430 HydrophobicContact CG2-CG 3.83Å; T135-M430 WeakPolarHBondContact CG2-O 3.47Å |
| 136 | L | 94.5 | Very high | 94.9 | Very high | 54 Ų | 54 | 12.8 Ų | 12.8 | 28% | 0.283 | 6% | 0.061 | S | C | . | . | H | α-helix | trans | -64 | -47.7 | 174.7 | -74.5 | 171.6 | 0 | 0 | 0 | 111.3 | I132 I133 I134 V138 S139 I140 A434 M463 | I132-L136 HydrophobicContact CG2-CD1 3.92Å; I132-L136 HydrophobicContact CG2-CG 4.26Å; I132-L136 WeakPolarHBondContact O-CB 3.33Å; I132-L136 VanDerWaalsContact O-CG 3.25Å; I132-L136 WeakPolarHBondContact O-CG 3.49Å; I132-L136 PolarHBondContact O-N 3.04Å; I133-L136 PolarHBondContact O-N 3.28Å; I134-L136 VanDerWaalsContact C-N 3.32Å; I134-L136 PolarHBondContact O-N 3Å; L136-V138 VanDerWaalsContact C-N 3.29Å; L136-V138 PolarHBondContact O-N 3.01Å; L136-S139 WeakPolarHBondContact CA-OG 3.39Å; L136-S139 PolarHBondContact O-N 3.06Å; L136-S139 PolarHBondContact O-OG 3.4Å; L136-I140 WeakPolarHBondContact O-CG1 3.31Å; L136-I140 PolarHBondContact O-N 3.49Å; L136-A434 HydrophobicContact CD1-CB 4.33Å; L136-A434 HydrophobicContact CD2-CB 3.45Å; L136-A434 VanDerWaalsContact CD2-CB 3.45Å; L136-A434 HydrophobicContact CG-CB 3.85Å; L136-M463 HydrophobicContact CB-CE 3.93Å; L136-M463 HydrophobicContact CD2-CE 3.37Å; L136-M463 HydrophobicContact CD2-SD 3.49Å; L136-M463 WeakPolarHBondContact CD2-SD 3.4Å; L136-M463 HydrophobicContact CG-CE 4.26Å; L136-M463 WeakPolarHBondContact O-CE 3.37Å |
| 137 | I | 93.6 | Very high | 94.9 | Very high | 22 Ų | 22 | 12.8 Ų | 12.8 | 11% | 0.113 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -56 | -46.5 | 177.4 | -68.6 | 166.4 | 0 | 0 | 0 | 110.6 | I133 I134 I140 Y141 V482 I573 | I133-I137 HydrophobicContact CG2-CD1 3.94Å; I133-I137 WeakPolarHBondContact O-CG1 3.39Å; I133-I137 PolarHBondContact O-N 2.83Å; I134-I137 PolarHBondContact O-N 2.99Å; I137-I140 WeakPolarHBondContact O-CB 3.34Å; I137-I140 PolarHBondContact O-N 3.09Å; I137-Y141 WeakPolarHBondContact O-CD1 3.48Å; I137-V482 HydrophobicContact CG2-CG1 3.55Å; I137-I573 HydrophobicContact CD1-CG2 4.1Å; I137-I573 HydrophobicContact CG2-CG2 4.49Å |
| 138 | V | 92.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.012 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.2 | -44.8 | -179.4 | 172.4 | 0 | 0 | 0 | 0 | 112.8 | I134 T135 L136 I140 Y141 F142 W330 M430 A487 | I134-V138 WeakPolarHBondContact O-CG2 3.13Å; I134-V138 PolarHBondContact O-N 3.18Å; T135-V138 PolarHBondContact O-N 2.97Å; L136-V138 VanDerWaalsContact C-N 3.29Å; L136-V138 PolarHBondContact O-N 3.01Å; V138-I140 PolarHBondContact O-N 3.28Å; V138-Y141 VanDerWaalsContact CA-CE1 3.4Å; V138-Y141 HydrophobicContact CB-CE1 4Å; V138-Y141 HydrophobicContact CG1-CE1 4.21Å; V138-Y141 HydrophobicContact CG1-CE2 4.37Å; V138-Y141 HydrophobicContact CG2-CE1 3.79Å; V138-Y141 WeakPolarHBondContact CG2-OH 3.25Å; V138-Y141 PolarHBondContact O-N 3.45Å; V138-F142 HydrophobicContact CG1-CD2 3.45Å; V138-F142 VanDerWaalsContact CG1-CD2 3.45Å; V138-F142 HydrophobicContact CG1-CE2 3.54Å; V138-F142 HydrophobicContact CG1-CG 4.45Å; V138-F142 WeakPolarHBondContact O-CD2 3.16Å; V138-F142 PolarHBondContact O-N 2.81Å; V138-W330 HydrophobicContact CB-CH2 4.34Å; V138-W330 HydrophobicContact CB-CZ3 3.96Å; V138-W330 HydrophobicContact CG1-CZ3 4.41Å; V138-W330 HydrophobicContact CG2-CH2 3.48Å; V138-W330 VanDerWaalsContact CG2-CH2 3.48Å; V138-W330 HydrophobicContact CG2-CZ3 3.42Å; V138-W330 VanDerWaalsContact CG2-CZ3 3.42Å; V138-M430 HydrophobicContact CG1-CE 3.73Å; V138-M430 HydrophobicContact CG1-SD 3.96Å; V138-A487 HydrophobicContact CG2-CB 4.35Å |
| 139 | S | 94.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.5 | -21.9 | 178.9 | 61.1 | 0 | 0 | 0 | 0 | 114 | T135 L136 N143 M463 | T135-S139 WeakPolarHBondContact O-CB 3.46Å; T135-S139 PolarHBondContact O-N 3.3Å; T135-S139 PolarHBondContact O-OG 3.03Å; L136-S139 WeakPolarHBondContact CA-OG 3.39Å; L136-S139 PolarHBondContact O-N 3.06Å; L136-S139 PolarHBondContact O-OG 3.4Å; S139-N143 WeakPolarHBondContact O-CB 3.45Å; S139-N143 PolarHBondContact O-N 3.4Å; S139-M463 WeakPolarHBondContact OG-CE 3.3Å |
| 140 | I | 95.5 | Very high | 94.7 | Very high | 13 Ų | 13 | 11 Ų | 11 | 7% | 0.067 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.3 | -55.8 | 172.6 | -67.4 | 164.5 | 0 | 0 | 0 | 110.1 | L136 I137 V138 N143 V144 M463 L466 G467 F470 | L136-I140 WeakPolarHBondContact O-CG1 3.31Å; L136-I140 PolarHBondContact O-N 3.49Å; I137-I140 WeakPolarHBondContact O-CB 3.34Å; I137-I140 PolarHBondContact O-N 3.09Å; V138-I140 PolarHBondContact O-N 3.28Å; I140-N143 PolarHBondContact O-N 3.14Å; I140-V144 PolarHBondContact O-N 3.25Å; I140-M463 HydrophobicContact CD1-CE 4.37Å; I140-M463 HydrophobicContact CG1-CB 4.04Å; I140-M463 HydrophobicContact CG1-CE 3.68Å; I140-M463 HydrophobicContact CG1-CG 4.28Å; I140-L466 HydrophobicContact CD1-CB 3.91Å; I140-L466 HydrophobicContact CD1-CD1 4.02Å; I140-G467 VanDerWaalsContact CG2-CA 3.48Å; I140-F470 HydrophobicContact CG2-CD2 3.75Å; I140-F470 HydrophobicContact CG2-CE2 3.67Å |
| 141 | Y | 90.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 1% | 0.012 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -77.3 | -27.2 | -176.3 | 70.7 | -106.6 | 0 | 0 | 0 | 113 | I137 V138 N143 V144 L145 L479 V482 D483 | I137-Y141 WeakPolarHBondContact O-CD1 3.48Å; V138-Y141 VanDerWaalsContact CA-CE1 3.4Å; V138-Y141 HydrophobicContact CB-CE1 4Å; V138-Y141 HydrophobicContact CG1-CE1 4.21Å; V138-Y141 HydrophobicContact CG1-CE2 4.37Å; V138-Y141 HydrophobicContact CG2-CE1 3.79Å; V138-Y141 WeakPolarHBondContact CG2-OH 3.25Å; V138-Y141 PolarHBondContact O-N 3.45Å; Y141-N143 VanDerWaalsContact C-N 3.28Å; Y141-N143 PolarHBondContact O-N 3.12Å; Y141-V144 WeakPolarHBondContact O-CA 3.29Å; Y141-V144 VanDerWaalsContact O-CB 3.32Å; Y141-V144 WeakPolarHBondContact O-CB 3.43Å; Y141-V144 PolarHBondContact O-N 3.44Å; Y141-L145 PolarHBondContact O-N 2.97Å; Y141-L145 VanDerWaalsContact O-N 3.07Å; Y141-L479 HydrophobicContact CD2-CD1 4.42Å; Y141-L479 HydrophobicContact CD2-CD2 4.34Å; Y141-L479 HydrophobicContact CD2-CG 4.16Å; Y141-L479 HydrophobicContact CG-CG 4.21Å; Y141-V482 HydrophobicContact CD1-CG1 4.11Å; Y141-V482 HydrophobicContact CE1-CG1 4.08Å; Y141-D483 HydrophobicContact CE2-CB 4.4Å; Y141-D483 VanDerWaalsContact CZ-OD1 3.3Å; Y141-D483 PolarHBondContact OH-OD1 2.86Å |
| 142 | F | 92.3 | Very high | 94.5 | Very high | 31 Ų | 31 | 11.3 Ų | 11.3 | 14% | 0.136 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.6 | -38.1 | 169.2 | -95.9 | -108.6 | 0 | 0 | 0 | 111.8 | V138 V144 L145 I146 V427 | V138-F142 HydrophobicContact CG1-CD2 3.45Å; V138-F142 VanDerWaalsContact CG1-CD2 3.45Å; V138-F142 HydrophobicContact CG1-CE2 3.54Å; V138-F142 HydrophobicContact CG1-CG 4.45Å; V138-F142 WeakPolarHBondContact O-CD2 3.16Å; V138-F142 PolarHBondContact O-N 2.81Å; F142-V144 PolarHBondContact O-N 3.19Å; F142-L145 WeakPolarHBondContact O-CB 3.17Å; F142-L145 PolarHBondContact O-N 3.47Å; F142-L145 VanDerWaalsContact O-N 3.17Å; F142-I146 WeakPolarHBondContact O-CG1 3.41Å; F142-I146 PolarHBondContact O-N 3.03Å; F142-I146 VanDerWaalsContact O-N 3.07Å; F142-V427 HydrophobicContact CB-CG2 3.68Å |
| 143 | N | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66.9 | -24.5 | 173.9 | -103.5 | -43.2 | 0 | 0 | 0 | 113.7 | S139 I140 Y141 A147 L248 S251 W252 T255 V427 | S139-N143 WeakPolarHBondContact O-CB 3.45Å; S139-N143 PolarHBondContact O-N 3.4Å; I140-N143 PolarHBondContact O-N 3.14Å; Y141-N143 VanDerWaalsContact C-N 3.28Å; Y141-N143 PolarHBondContact O-N 3.12Å; N143-A147 PolarHBondContact O-N 3.1Å; N143-L248 HydrophobicContact CB-CD1 4.31Å; N143-S251 PolarHBondContact O-OG 3.21Å; N143-S251 PolarHBondContact OD1-OG 3.5Å; N143-W252 HydrophobicContact CB-CZ2 3.94Å; N143-W252 VanDerWaalsContact ND2-CE2 3.35Å; N143-W252 WeakPolarHBondContact ND2-CH2 3.42Å; N143-W252 WeakPolarHBondContact ND2-CZ2 3.5Å; N143-W252 WeakPolarHBondContact ND2-CZ3 3.15Å; N143-T255 PolarHBondContact OD1-OG1 2.81Å; N143-V427 WeakPolarHBondContact ND2-CG1 3.46Å |
| 144 | V | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -72.5 | -39.5 | 171.9 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | I140 Y141 F142 I146 A147 Y148 L248 F470 V471 | I140-V144 PolarHBondContact O-N 3.25Å; Y141-V144 WeakPolarHBondContact O-CA 3.29Å; Y141-V144 VanDerWaalsContact O-CB 3.32Å; Y141-V144 WeakPolarHBondContact O-CB 3.43Å; Y141-V144 PolarHBondContact O-N 3.44Å; F142-V144 PolarHBondContact O-N 3.19Å; V144-I146 VanDerWaalsContact C-N 3.3Å; V144-I146 PolarHBondContact O-N 3.3Å; V144-A147 WeakPolarHBondContact O-CA 3.27Å; V144-A147 VanDerWaalsContact O-CB 3.25Å; V144-A147 WeakPolarHBondContact O-CB 3.4Å; V144-A147 PolarHBondContact O-N 3.4Å; V144-Y148 HydrophobicContact CG1-CE1 3.71Å; V144-Y148 HydrophobicContact CG1-CE2 4.16Å; V144-Y148 VanDerWaalsContact CG1-CZ 3.49Å; V144-Y148 WeakPolarHBondContact CG1-OH 3.48Å; V144-Y148 PolarHBondContact O-N 3.11Å; V144-L248 HydrophobicContact CG2-CD1 3.88Å; V144-F470 HydrophobicContact CG1-CB 4.37Å; V144-F470 HydrophobicContact CG2-CB 3.78Å; V144-V471 HydrophobicContact CG1-CG2 4.16Å; V144-V471 HydrophobicContact CG2-CG2 4.24Å |
| 145 | L | 92.4 | Very high | 94.4 | Very high | 21 Ų | 21 | 19.6 Ų | 19.6 | 11% | 0.11 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.1 | -37.5 | 172.4 | -60.1 | -179.1 | 0 | 0 | 0 | 112.1 | L66 Y141 F142 A147 Y148 G149 L479 | L66-L145 HydrophobicContact CD1-CB 4.47Å; L66-L145 HydrophobicContact CD1-CD1 4.19Å; Y141-L145 PolarHBondContact O-N 2.97Å; Y141-L145 VanDerWaalsContact O-N 3.07Å; F142-L145 WeakPolarHBondContact O-CB 3.17Å; F142-L145 PolarHBondContact O-N 3.47Å; F142-L145 VanDerWaalsContact O-N 3.17Å; L145-A147 VanDerWaalsContact C-N 3.31Å; L145-Y148 HydrophobicContact CD2-CD2 3.9Å; L145-Y148 HydrophobicContact CD2-CE2 3.9Å; L145-Y148 PolarHBondContact O-N 3.26Å; L145-G149 PolarHBondContact O-N 2.88Å; L145-L479 HydrophobicContact CD2-CD1 4.08Å |
| 146 | I | 94.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.015 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | 171.4 | -62.9 | 171.7 | 0 | 0 | 0 | 110.5 | F142 V144 Y148 G149 L150 L420 G423 V424 V427 | F142-I146 WeakPolarHBondContact O-CG1 3.41Å; F142-I146 PolarHBondContact O-N 3.03Å; F142-I146 VanDerWaalsContact O-N 3.07Å; V144-I146 VanDerWaalsContact C-N 3.3Å; V144-I146 PolarHBondContact O-N 3.3Å; I146-Y148 VanDerWaalsContact C-N 3.32Å; I146-Y148 PolarHBondContact O-N 2.96Å; I146-G149 CarbonylContact O-C 3.38Å; I146-G149 WeakPolarHBondContact O-CA 3.31Å; I146-G149 PolarHBondContact O-N 3.42Å; I146-G149 VanDerWaalsContact O-N 3.13Å; I146-L150 HydrophobicContact CG2-CD1 4.48Å; I146-L150 HydrophobicContact CG2-CG 4.45Å; I146-L150 WeakPolarHBondContact O-CG 3.21Å; I146-L150 PolarHBondContact O-N 3.24Å; I146-L420 HydrophobicContact CG2-CD2 3.72Å; I146-L420 WeakPolarHBondContact O-CD2 3.4Å; I146-G423 VanDerWaalsContact CD1-C 3.47Å; I146-V424 HydrophobicContact CD1-CG2 4.04Å; I146-V424 HydrophobicContact CG2-CG2 4.38Å; I146-V427 HydrophobicContact CD1-CB 4.18Å; I146-V427 HydrophobicContact CD1-CG2 3.66Å |
| 147 | A | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.4 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N143 V144 L145 L150 M151 C247 L248 | N143-A147 PolarHBondContact O-N 3.1Å; V144-A147 WeakPolarHBondContact O-CA 3.27Å; V144-A147 VanDerWaalsContact O-CB 3.25Å; V144-A147 WeakPolarHBondContact O-CB 3.4Å; V144-A147 PolarHBondContact O-N 3.4Å; L145-A147 VanDerWaalsContact C-N 3.31Å; A147-L150 PolarHBondContact O-N 3.09Å; A147-M151 PolarHBondContact O-N 3.19Å; A147-M151 VanDerWaalsContact O-N 3.12Å; A147-C247 HydrophobicContact CB-CB 3.9Å; A147-L248 HydrophobicContact CB-CB 4.18Å |
| 148 | Y | 95 | Very high | 93.8 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 171.1 | -55.4 | -21.5 | 0 | 0 | 0 | 110.7 | V144 L145 I146 L150 M151 F152 F223 V227 L228 L244 F395 I476 | V144-Y148 HydrophobicContact CG1-CE1 3.71Å; V144-Y148 HydrophobicContact CG1-CE2 4.16Å; V144-Y148 VanDerWaalsContact CG1-CZ 3.49Å; V144-Y148 WeakPolarHBondContact CG1-OH 3.48Å; V144-Y148 PolarHBondContact O-N 3.11Å; L145-Y148 HydrophobicContact CD2-CD2 3.9Å; L145-Y148 HydrophobicContact CD2-CE2 3.9Å; L145-Y148 PolarHBondContact O-N 3.26Å; I146-Y148 VanDerWaalsContact C-N 3.32Å; I146-Y148 PolarHBondContact O-N 2.96Å; Y148-L150 VanDerWaalsContact C-N 3.27Å; Y148-L150 PolarHBondContact O-N 3.47Å; Y148-M151 WeakPolarHBondContact O-CB 3.2Å; Y148-M151 PolarHBondContact O-N 3.33Å; Y148-M151 VanDerWaalsContact O-N 3.15Å; Y148-F152 WeakPolarHBondContact O-CD2 3.3Å; Y148-F152 PolarHBondContact O-N 3.05Å; Y148-F223 HydrophobicContact CD2-CE2 4.18Å; Y148-F223 HydrophobicContact CD2-CZ 4.35Å; Y148-F223 HydrophobicContact CE2-CZ 4.49Å; Y148-F223 HydrophobicContact CG-CE2 4.48Å; Y148-V227 HydrophobicContact CD1-CG1 4.24Å; Y148-L228 HydrophobicContact CD1-CD2 4.46Å; Y148-L228 HydrophobicContact CE1-CD2 3.7Å; Y148-L228 HydrophobicContact CE2-CD2 4.04Å; Y148-L228 VanDerWaalsContact CZ-CD2 3.43Å; Y148-L228 WeakPolarHBondContact OH-CD2 3.03Å; Y148-L244 HydrophobicContact CD1-CD1 4.19Å; Y148-L244 HydrophobicContact CD1-CD2 3.73Å; Y148-L244 HydrophobicContact CE1-CD1 3.67Å; Y148-L244 HydrophobicContact CE1-CD2 4.06Å; Y148-F395 HydrophobicContact CD2-CE2 4.43Å; Y148-I476 HydrophobicContact CE2-CD1 4.49Å |
| 149 | G | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.9 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L145 I146 F153 | L145-G149 PolarHBondContact O-N 2.88Å; I146-G149 CarbonylContact O-C 3.38Å; I146-G149 WeakPolarHBondContact O-CA 3.31Å; I146-G149 PolarHBondContact O-N 3.42Å; I146-G149 VanDerWaalsContact O-N 3.13Å; G149-F153 VanDerWaalsContact O-CB 3.23Å; G149-F153 WeakPolarHBondContact O-CB 3.28Å; G149-F153 PolarHBondContact O-N 3.47Å |
| 150 | L | 96 | Very high | 91.8 | Very high | 29 Ų | 29 | 32.1 Ų | 32.1 | 15% | 0.152 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66 | -40.9 | 178.8 | -76.7 | 173 | 0 | 0 | 0 | 111.1 | I146 A147 Y148 F153 Y154 C247 A250 I254 L420 | I146-L150 HydrophobicContact CG2-CD1 4.48Å; I146-L150 HydrophobicContact CG2-CG 4.45Å; I146-L150 WeakPolarHBondContact O-CG 3.21Å; I146-L150 PolarHBondContact O-N 3.24Å; A147-L150 PolarHBondContact O-N 3.09Å; Y148-L150 VanDerWaalsContact C-N 3.27Å; Y148-L150 PolarHBondContact O-N 3.47Å; L150-F153 PolarHBondContact O-N 2.94Å; L150-Y154 WeakPolarHBondContact O-CB 3.46Å; L150-Y154 PolarHBondContact O-N 3.14Å; L150-C247 WeakPolarHBondContact CD1-O 3.45Å; L150-A250 HydrophobicContact CD1-CB 3.97Å; L150-I254 HydrophobicContact CD1-CD1 4.28Å; L150-I254 HydrophobicContact CD2-CD1 4.05Å; L150-L420 HydrophobicContact CB-CD2 4.34Å; L150-L420 HydrophobicContact CD2-CD1 3.76Å; L150-L420 HydrophobicContact CD2-CD2 3.67Å; L150-L420 HydrophobicContact CD2-CG 4.38Å; L150-L420 HydrophobicContact CG-CD2 3.6Å |
| 151 | M | 94.7 | Very high | 91.4 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 3% | 0.034 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.5 | -50.9 | 177.2 | -176.8 | 173.8 | 174.9 | 0 | 0 | 111.2 | A147 Y148 F153 Y154 E155 F222 R226 V227 H243 L244 | A147-M151 PolarHBondContact O-N 3.19Å; A147-M151 VanDerWaalsContact O-N 3.12Å; Y148-M151 WeakPolarHBondContact O-CB 3.2Å; Y148-M151 PolarHBondContact O-N 3.33Å; Y148-M151 VanDerWaalsContact O-N 3.15Å; M151-F153 VanDerWaalsContact C-N 3.31Å; M151-F153 PolarHBondContact O-N 3.11Å; M151-Y154 PolarHBondContact O-N 3.38Å; M151-E155 HydrophobicContact CG-CG 4.48Å; M151-E155 VanDerWaalsContact O-CG 3.28Å; M151-E155 WeakPolarHBondContact O-CG 3.45Å; M151-E155 PolarHBondContact O-N 3.47Å; M151-F222 HydrophobicContact CE-CZ 4.46Å; M151-R226 HydrophobicContact CE-CG 4.47Å; M151-V227 HydrophobicContact CE-CB 4.35Å; M151-V227 HydrophobicContact CE-CG2 3.82Å; M151-V227 HydrophobicContact SD-CB 4.08Å; M151-V227 HydrophobicContact SD-CG1 3.8Å; M151-V227 HydrophobicContact SD-CG2 3.83Å; M151-H243 PolarHBondContact SD-CD2 3.44Å; M151-L244 HydrophobicContact SD-CD2 4.02Å |
| 152 | F | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -37.6 | 177.4 | -85 | -94.5 | 0 | 0 | 0 | 112.6 | Y148 E155 S156 W164 F222 F223 V227 F395 P399 F416 | Y148-F152 WeakPolarHBondContact O-CD2 3.3Å; Y148-F152 PolarHBondContact O-N 3.05Å; F152-E155 PolarHBondContact O-N 2.92Å; F152-S156 WeakPolarHBondContact O-CB 3.36Å; F152-S156 PolarHBondContact O-N 3.35Å; F152-S156 PolarHBondContact O-OG 3.09Å; F152-W164 HydrophobicContact CD1-CD2 4.31Å; F152-W164 AromaticContact CD1-CE3 3.87Å; F152-W164 HydrophobicContact CD1-CE3 3.87Å; F152-W164 AromaticContact CD1-CH2 3.78Å; F152-W164 HydrophobicContact CD1-CH2 3.78Å; F152-W164 HydrophobicContact CD1-CZ2 4.24Å; F152-W164 AromaticContact CD1-CZ3 3.57Å; F152-W164 HydrophobicContact CD1-CZ3 3.57Å; F152-W164 HydrophobicContact CE1-CD2 4.22Å; F152-W164 AromaticContact CE1-CE3 3.93Å; F152-W164 HydrophobicContact CE1-CE3 3.93Å; F152-W164 HydrophobicContact CE1-CZ3 4.11Å; F152-W164 HydrophobicContact CG-CZ3 4.4Å; F152-F222 HydrophobicContact CD1-CD1 4.48Å; F152-F222 AromaticContact CD1-CE1 3.95Å; F152-F222 HydrophobicContact CD1-CE1 3.95Å; F152-F222 HydrophobicContact CD2-CE1 4.48Å; F152-F222 AromaticContact CE1-CD1 3.64Å; F152-F222 HydrophobicContact CE1-CD1 3.64Å; F152-F222 AromaticContact CE1-CE1 3.52Å; F152-F222 HydrophobicContact CE1-CE1 3.52Å; F152-F222 HydrophobicContact CE2-CD1 4.47Å; F152-F222 HydrophobicContact CE2-CE1 4.09Å; F152-F222 HydrophobicContact CG-CE1 4.43Å; F152-F222 AromaticContact CZ-CD1 3.64Å; F152-F222 HydrophobicContact CZ-CD1 3.64Å; F152-F222 AromaticContact CZ-CE1 3.6Å; F152-F222 HydrophobicContact CZ-CE1 3.6Å; F152-F223 AromaticContact CE2-CD2 3.88Å; F152-F223 HydrophobicContact CE2-CD2 3.88Å; F152-F223 HydrophobicContact CE2-CE2 4.46Å; F152-F223 HydrophobicContact CZ-CB 4.46Å; F152-F223 HydrophobicContact CZ-CD2 4.07Å; F152-V227 HydrophobicContact CD2-CG2 4.49Å; F152-V227 HydrophobicContact CE2-CG1 4.49Å; F152-V227 HydrophobicContact CE2-CG2 3.82Å; F152-V227 HydrophobicContact CZ-CG2 4.21Å; F152-F395 AromaticContact CD2-CD1 3.7Å; F152-F395 HydrophobicContact CD2-CD1 3.7Å; F152-F395 HydrophobicContact CD2-CE1 4.17Å; F152-F395 HydrophobicContact CE2-CB 4.19Å; F152-F395 AromaticContact CE2-CD1 3.6Å; F152-F395 HydrophobicContact CE2-CD1 3.6Å; F152-F395 HydrophobicContact CE2-CE1 4.45Å; F152-F395 HydrophobicContact CE2-CG 4.3Å; F152-F395 HydrophobicContact CG-CD1 4.41Å; F152-F395 HydrophobicContact CZ-CB 4.2Å; F152-F395 HydrophobicContact CZ-CD1 4.25Å; F152-F395 WeakPolarHBondContact CZ-O 3.38Å; F152-P399 HydrophobicContact CD1-CG 4.36Å; F152-P399 HydrophobicContact CE1-CB 4.29Å; F152-P399 HydrophobicContact CE1-CG 3.95Å; F152-F416 HydrophobicContact CB-CB 4.43Å; F152-F416 HydrophobicContact CB-CD1 3.5Å; F152-F416 VanDerWaalsContact CB-CD1 3.5Å; F152-F416 HydrophobicContact CB-CD2 3.6Å; F152-F416 HydrophobicContact CB-CE1 3.44Å; F152-F416 VanDerWaalsContact CB-CE1 3.44Å; F152-F416 HydrophobicContact CB-CE2 3.53Å; F152-F416 HydrophobicContact CB-CG 3.56Å; F152-F416 HydrophobicContact CB-CZ 3.42Å; F152-F416 VanDerWaalsContact CB-CZ 3.42Å; F152-F416 HydrophobicContact CD1-CD2 4.35Å; F152-F416 AromaticContact CD1-CE1 3.89Å; F152-F416 HydrophobicContact CD1-CE1 3.89Å; F152-F416 AromaticContact CD1-CE2 3.43Å; F152-F416 HydrophobicContact CD1-CE2 3.43Å; F152-F416 VanDerWaalsContact CD1-CE2 3.43Å; F152-F416 AromaticContact CD1-CZ 3.12Å; F152-F416 HydrophobicContact CD1-CZ 3.12Å; F152-F416 HydrophobicContact CD2-CE1 4.16Å; F152-F416 HydrophobicContact CD2-CZ 4.19Å; F152-F416 HydrophobicContact CE1-CE2 4.36Å; F152-F416 AromaticContact CE1-CZ 3.82Å; F152-F416 HydrophobicContact CE1-CZ 3.82Å; F152-F416 HydrophobicContact CG-CD1 4.18Å; F152-F416 HydrophobicContact CG-CD2 4.37Å; F152-F416 AromaticContact CG-CE1 3.59Å; F152-F416 HydrophobicContact CG-CE1 3.59Å; F152-F416 AromaticContact CG-CE2 3.79Å; F152-F416 HydrophobicContact CG-CE2 3.79Å; F152-F416 AromaticContact CG-CZ 3.33Å; F152-F416 HydrophobicContact CG-CZ 3.33Å |
| 153 | F | 95.4 | Very high | 91.5 | Very high | 41 Ų | 41 | 35.1 Ų | 35.1 | 18% | 0.18 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 175.5 | -178.9 | -115 | 0 | 0 | 0 | 111.8 | G149 L150 M151 S156 M157 A413 F416 F417 L420 | G149-F153 VanDerWaalsContact O-CB 3.23Å; G149-F153 WeakPolarHBondContact O-CB 3.28Å; G149-F153 PolarHBondContact O-N 3.47Å; L150-F153 PolarHBondContact O-N 2.94Å; M151-F153 VanDerWaalsContact C-N 3.31Å; M151-F153 PolarHBondContact O-N 3.11Å; F153-S156 WeakPolarHBondContact O-CB 3.35Å; F153-S156 PolarHBondContact O-N 3.43Å; F153-M157 HydrophobicContact CD1-CE 3.68Å; F153-M157 HydrophobicContact CE1-CE 3.3Å; F153-M157 HydrophobicContact CE1-SD 3.93Å; F153-M157 HydrophobicContact CE2-CE 4.34Å; F153-M157 HydrophobicContact CE2-SD 4.13Å; F153-M157 HydrophobicContact CG-CE 4.36Å; F153-M157 HydrophobicContact CZ-CE 3.68Å; F153-M157 HydrophobicContact CZ-SD 3.63Å; F153-M157 PolarHBondContact O-N 3.36Å; F153-A413 HydrophobicContact CD2-CB 4.48Å; F153-A413 WeakPolarHBondContact CD2-O 3.32Å; F153-A413 HydrophobicContact CE2-CB 4.17Å; F153-A413 WeakPolarHBondContact CE2-O 3.13Å; F153-F416 HydrophobicContact CB-CB 3.94Å; F153-F416 HydrophobicContact CD2-CB 4.39Å; F153-F417 HydrophobicContact CD2-CB 3.97Å; F153-F417 HydrophobicContact CE1-CD2 4.31Å; F153-F417 HydrophobicContact CE2-CB 3.68Å; F153-F417 HydrophobicContact CE2-CD2 4.03Å; F153-F417 HydrophobicContact CE2-CG 4.22Å; F153-F417 HydrophobicContact CZ-CB 4.37Å; F153-F417 AromaticContact CZ-CD2 3.85Å; F153-F417 HydrophobicContact CZ-CD2 3.85Å; F153-F417 HydrophobicContact CZ-CG 4.44Å; F153-L420 HydrophobicContact CB-CD1 3.91Å; F153-L420 HydrophobicContact CD1-CD1 4Å; F153-L420 HydrophobicContact CG-CD1 3.95Å |
| 154 | Y | 94.7 | Very high | 91.4 | Very high | 152 Ų | 152 | 35.1 Ų | 35.1 | 60% | 0.596 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -61.4 | -49.9 | 175.4 | 172.3 | -99.7 | 0 | 0 | 0 | 111.8 | L150 M151 S156 M157 A158 | L150-Y154 WeakPolarHBondContact O-CB 3.46Å; L150-Y154 PolarHBondContact O-N 3.14Å; M151-Y154 PolarHBondContact O-N 3.38Å; Y154-S156 PolarHBondContact O-N 2.92Å; Y154-M157 PolarHBondContact O-N 2.84Å; Y154-A158 PolarHBondContact O-N 2.9Å |
| 155 | E | 93.3 | Very high | 91.1 | Very high | 30 Ų | 30 | 36 Ų | 36 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -27.8 | 179.7 | -65 | -74.2 | -173.2 | 0 | 0 | 112.2 | M151 F152 M157 A158 P163 W164 F222 R226 | M151-E155 HydrophobicContact CG-CG 4.48Å; M151-E155 VanDerWaalsContact O-CG 3.28Å; M151-E155 WeakPolarHBondContact O-CG 3.45Å; M151-E155 PolarHBondContact O-N 3.47Å; F152-E155 PolarHBondContact O-N 2.92Å; E155-M157 VanDerWaalsContact C-N 3.28Å; E155-M157 PolarHBondContact O-N 3.19Å; E155-A158 PolarHBondContact O-N 3.44Å; E155-P163 HydrophobicContact CB-CG 4.22Å; E155-W164 HydrophobicContact CB-CH2 4.12Å; E155-W164 HydrophobicContact CB-CZ3 3.71Å; E155-F222 HydrophobicContact CG-CZ 4.26Å; E155-R226 IonicContact OE1-NH2 3.56Å |
| 156 | S | 94.6 | Very high | 91 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.8 | -31 | 173.1 | -60 | 0 | 0 | 0 | 0 | 112.9 | F152 F153 Y154 H409 S412 | F152-S156 WeakPolarHBondContact O-CB 3.36Å; F152-S156 PolarHBondContact O-N 3.35Å; F152-S156 PolarHBondContact O-OG 3.09Å; F153-S156 WeakPolarHBondContact O-CB 3.35Å; F153-S156 PolarHBondContact O-N 3.43Å; Y154-S156 PolarHBondContact O-N 2.92Å; S156-H409 PolarHBondContact O-ND1 3.3Å; S156-S412 WeakPolarHBondContact OG-CB 3.24Å; S156-S412 PolarHBondContact OG-OG 3.02Å; S156-S412 VanDerWaalsContact OG-OG 3.09Å |
| 157 | M | 90.6 | Very high | 90.7 | Very high | 113 Ų | 113 | 38 Ų | 38 | 56% | 0.557 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -94.5 | -15.3 | 179.7 | -63.4 | -173.4 | -64.3 | 0 | 0 | 113.2 | F153 Y154 E155 A413 | F153-M157 HydrophobicContact CD1-CE 3.68Å; F153-M157 HydrophobicContact CE1-CE 3.3Å; F153-M157 HydrophobicContact CE1-SD 3.93Å; F153-M157 HydrophobicContact CE2-CE 4.34Å; F153-M157 HydrophobicContact CE2-SD 4.13Å; F153-M157 HydrophobicContact CG-CE 4.36Å; F153-M157 HydrophobicContact CZ-CE 3.68Å; F153-M157 HydrophobicContact CZ-SD 3.63Å; F153-M157 PolarHBondContact O-N 3.36Å; Y154-M157 PolarHBondContact O-N 2.84Å; E155-M157 VanDerWaalsContact C-N 3.28Å; E155-M157 PolarHBondContact O-N 3.19Å; M157-A413 HydrophobicContact CG-CB 4.34Å |
| 158 | A | 86 | Confident | 90.3 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 26% | 0.256 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -65.9 | 154.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y154 E155 | Y154-A158 PolarHBondContact O-N 2.9Å; E155-A158 PolarHBondContact O-N 3.44Å |
| 159 | T | 69.7 | Low | 90.2 | Very high | 151 Ų | 151 | 44.1 Ų | 44.1 | 93% | 0.926 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -76.4 | 129.3 | -178.8 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 160 | G | 74.8 | Confident | 90.2 | Very high | 45 Ų | 45 | 52.9 Ų | 52.9 | 46% | 0.464 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 141 | -179.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | H409 | G160-H409 PolarHBondContact O-CE1 2.91Å; G160-H409 PolarHBondContact O-NE2 3.32Å |
| 161 | P | 87.9 | Confident | 90.1 | Very high | 92 Ų | 92 | 52.9 Ų | 52.9 | 60% | 0.597 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -62.4 | 159 | 154.2 | 30.6 | -33.7 | 0 | 0 | 0 | 109.6 | ||
| 162 | L | 92.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | trans | -59.6 | 133 | 175.7 | -67.4 | 173.3 | 0 | 0 | 0 | 109.9 | W164 S165 H409 | L162-W164 HydrophobicContact CB-CD2 4.31Å; L162-W164 HydrophobicContact CB-CZ2 4.18Å; L162-W164 HydrophobicContact CD1-CZ2 4.07Å; L162-W164 HydrophobicContact CD2-CH2 4.1Å; L162-W164 HydrophobicContact CD2-CZ2 3.66Å; L162-W164 HydrophobicContact CG-CZ2 4.19Å; L162-W164 PolarHBondContact O-N 3.3Å; L162-S165 VanDerWaalsContact O-CB 3.3Å; L162-S165 WeakPolarHBondContact O-CB 3.17Å; L162-S165 PolarHBondContact O-N 3.47Å; L162-S165 PolarHBondContact O-OG 2.83Å; L162-H409 VanDerWaalsContact CD2-CE1 3.47Å; L162-H409 WeakPolarHBondContact CD2-CE1 3.34Å; L162-H409 WeakPolarHBondContact CD2-ND1 3.25Å; L162-H409 PolarHBondContact N-NE2 3.12Å | ||
| 163 | P | 92.3 | Very high | 89.9 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.2 | -175.8 | -27.7 | 35.4 | 0 | 0 | 0 | 115 | E155 H169 W171 F222 | E155-P163 HydrophobicContact CB-CG 4.22Å; P163-H169 PolarHBondContact O-CE1 3.44Å; P163-H169 VanDerWaalsContact O-CE1 3.26Å; P163-W171 HydrophobicContact CB-CH2 4.32Å; P163-W171 HydrophobicContact CB-CZ2 4.07Å; P163-F222 HydrophobicContact CB-CD2 3.81Å; P163-F222 HydrophobicContact CB-CE2 3.49Å; P163-F222 VanDerWaalsContact CB-CE2 3.49Å; P163-F222 HydrophobicContact CB-CZ 4.26Å; P163-F222 HydrophobicContact CG-CE2 4.28Å |
| 164 | W | 92.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 12.1 | 176.8 | 54.3 | 83.9 | 0 | 0 | 0 | 113.9 | F152 E155 L162 F222 P399 S412 F416 | F152-W164 HydrophobicContact CD1-CD2 4.31Å; F152-W164 AromaticContact CD1-CE3 3.87Å; F152-W164 HydrophobicContact CD1-CE3 3.87Å; F152-W164 AromaticContact CD1-CH2 3.78Å; F152-W164 HydrophobicContact CD1-CH2 3.78Å; F152-W164 HydrophobicContact CD1-CZ2 4.24Å; F152-W164 AromaticContact CD1-CZ3 3.57Å; F152-W164 HydrophobicContact CD1-CZ3 3.57Å; F152-W164 HydrophobicContact CE1-CD2 4.22Å; F152-W164 AromaticContact CE1-CE3 3.93Å; F152-W164 HydrophobicContact CE1-CE3 3.93Å; F152-W164 HydrophobicContact CE1-CZ3 4.11Å; F152-W164 HydrophobicContact CG-CZ3 4.4Å; E155-W164 HydrophobicContact CB-CH2 4.12Å; E155-W164 HydrophobicContact CB-CZ3 3.71Å; L162-W164 HydrophobicContact CB-CD2 4.31Å; L162-W164 HydrophobicContact CB-CZ2 4.18Å; L162-W164 HydrophobicContact CD1-CZ2 4.07Å; L162-W164 HydrophobicContact CD2-CH2 4.1Å; L162-W164 HydrophobicContact CD2-CZ2 3.66Å; L162-W164 HydrophobicContact CG-CZ2 4.19Å; L162-W164 PolarHBondContact O-N 3.3Å; W164-F222 HydrophobicContact CB-CB 3.84Å; W164-F222 HydrophobicContact CB-CD1 4.14Å; W164-F222 HydrophobicContact CB-CG 3.96Å; W164-F222 HydrophobicContact CD2-CD1 4.41Å; W164-F222 HydrophobicContact CD2-CE1 4.49Å; W164-F222 AromaticContact CE3-CD1 3.67Å; W164-F222 HydrophobicContact CE3-CD1 3.67Å; W164-F222 HydrophobicContact CE3-CD2 4.44Å; W164-F222 AromaticContact CE3-CE1 3.4Å; W164-F222 HydrophobicContact CE3-CE1 3.4Å; W164-F222 VanDerWaalsContact CE3-CE1 3.4Å; W164-F222 HydrophobicContact CE3-CE2 4.22Å; W164-F222 HydrophobicContact CE3-CG 4.19Å; W164-F222 AromaticContact CE3-CZ 3.71Å; W164-F222 HydrophobicContact CE3-CZ 3.71Å; W164-F222 HydrophobicContact CZ3-CD1 4.46Å; W164-F222 AromaticContact CZ3-CE1 3.76Å; W164-F222 HydrophobicContact CZ3-CE1 3.76Å; W164-F222 AromaticContact CZ3-CZ 3.89Å; W164-F222 HydrophobicContact CZ3-CZ 3.89Å; W164-P399 HydrophobicContact CD2-CB 4.37Å; W164-P399 HydrophobicContact CG-CB 4.09Å; W164-P399 PolarHBondContact NE1-O 2.87Å; W164-S412 VanDerWaalsContact CZ2-OG 3.3Å; W164-S412 WeakPolarHBondContact CZ2-OG 3.44Å; W164-F416 HydrophobicContact CZ2-CE2 4.27Å |
| 165 | S | 89.8 | Confident | 89 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 13% | 0.126 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -90.7 | -17.4 | -180 | 66.6 | 0 | 0 | 0 | 0 | 114.5 | L162 N180 | L162-S165 VanDerWaalsContact O-CB 3.3Å; L162-S165 WeakPolarHBondContact O-CB 3.17Å; L162-S165 PolarHBondContact O-N 3.47Å; L162-S165 PolarHBondContact O-OG 2.83Å; S165-N180 PolarHBondContact O-ND2 3.4Å |
| 166 | S | 89.6 | Confident | 88.8 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 22% | 0.224 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -147.5 | 157.7 | -175 | 64.8 | 0 | 0 | 0 | 0 | 112.2 | H169 D178 | S166-H169 PolarHBondContact O-CE1 3Å; S166-H169 VanDerWaalsContact O-CE1 3.3Å; S166-H169 PolarHBondContact O-ND1 3.06Å; S166-D178 VanDerWaalsContact CA-OD2 3.3Å; S166-D178 WeakPolarHBondContact CA-OD2 3.3Å; S166-D178 VanDerWaalsContact CB-OD2 3.25Å; S166-D178 WeakPolarHBondContact CB-OD2 3.35Å |
| 167 | C | 89.8 | Confident | 88.4 | Confident | 34 Ų | 34 | 56.6 Ų | 56.6 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -83.2 | 172.5 | 169 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | N172 C176 L177 D178 | C167-N172 WeakPolarHBondContact CA-OD1 2.99Å; C167-C176 HydrophobicContact CB-CB 3.9Å; C167-C176 WeakPolarHBondContact CB-SG 3.38Å; C167-C176 WeakPolarHBondContact SG-CB 3.49Å; C167-C176 PolarHBondContact SG-O 3.14Å; C167-C176 VanDerWaalsContact SG-O 3.37Å; C167-C176 CovalentContact SG-SG 2.04Å; C167-C176 PolarHBondContact SG-SG 2.98Å; C167-L177 VanDerWaalsContact SG-C 3.59Å; C167-D178 HydrophobicContact CB-CB 4.21Å; C167-D178 PolarHBondContact SG-N 3.26Å; C167-D178 VanDerWaalsContact SG-N 3.37Å |
| 168 | G | 87.8 | Confident | 88.1 | Confident | 75 Ų | 75 | 52.3 Ų | 52.3 | 77% | 0.773 | 31% | 0.314 | S | S | * | . | trans | 103.8 | 4.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N172 | G168-N172 PolarHBondContact N-OD1 3.14Š| ||
| 169 | H | 92.3 | Very high | 87.6 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 26% | 0.259 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -80.6 | 164.3 | 171.3 | -54.4 | 91.8 | 0 | 0 | 0 | 111.1 | P163 S166 W171 N172 | P163-H169 PolarHBondContact O-CE1 3.44Å; P163-H169 VanDerWaalsContact O-CE1 3.26Å; S166-H169 PolarHBondContact O-CE1 3Å; S166-H169 VanDerWaalsContact O-CE1 3.3Å; S166-H169 PolarHBondContact O-ND1 3.06Å; H169-W171 HydrophobicContact CB-CD2 3.61Å; H169-W171 HydrophobicContact CB-CE3 3.88Å; H169-W171 HydrophobicContact CB-CG 4.29Å; H169-W171 HydrophobicContact CB-CH2 3.73Å; H169-W171 HydrophobicContact CB-CZ2 3.42Å; H169-W171 VanDerWaalsContact CB-CZ2 3.42Å; H169-W171 HydrophobicContact CB-CZ3 3.95Å; H169-W171 AromaticContact CD2-CH2 3.58Å; H169-W171 AromaticContact CD2-CZ2 3.58Å; H169-W171 AromaticContact CG-CE2 3.73Å; H169-W171 AromaticContact CG-CH2 3.71Å; H169-W171 AromaticContact CG-CZ2 3.31Å; H169-W171 AromaticContact ND1-CZ2 3.8Å; H169-W171 PolarHBondContact O-N 3.32Å; H169-N172 VanDerWaalsContact CB-OD1 3.3Å; H169-N172 WeakPolarHBondContact CB-OD1 3.38Å; H169-N172 PolarHBondContact N-OD1 3.45Å; H169-N172 PolarHBondContact ND1-OD1 3.13Å; H169-N172 VanDerWaalsContact ND1-OD1 3.14Å; H169-N172 WeakPolarHBondContact O-CB 3.46Å; H169-N172 PolarHBondContact O-N 2.88Å |
| 170 | W | 94.9 | Very high | 87.8 | Confident | 184 Ų | 184 | 48.9 Ų | 48.9 | 70% | 0.697 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -21.6 | -177.9 | 66.3 | -98.2 | 0 | 0 | 0 | 114.4 | ||
| 171 | W | 94.8 | Very high | 88.1 | Confident | 29 Ų | 29 | 49.7 Ų | 49.7 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -8.7 | 175.8 | 59.1 | 81.3 | 0 | 0 | 0 | 113 | P163 H169 F222 N225 R226 | P163-W171 HydrophobicContact CB-CH2 4.32Å; P163-W171 HydrophobicContact CB-CZ2 4.07Å; H169-W171 HydrophobicContact CB-CD2 3.61Å; H169-W171 HydrophobicContact CB-CE3 3.88Å; H169-W171 HydrophobicContact CB-CG 4.29Å; H169-W171 HydrophobicContact CB-CH2 3.73Å; H169-W171 HydrophobicContact CB-CZ2 3.42Å; H169-W171 VanDerWaalsContact CB-CZ2 3.42Å; H169-W171 HydrophobicContact CB-CZ3 3.95Å; H169-W171 AromaticContact CD2-CH2 3.58Å; H169-W171 AromaticContact CD2-CZ2 3.58Å; H169-W171 AromaticContact CG-CE2 3.73Å; H169-W171 AromaticContact CG-CH2 3.71Å; H169-W171 AromaticContact CG-CZ2 3.31Å; H169-W171 AromaticContact ND1-CZ2 3.8Å; H169-W171 PolarHBondContact O-N 3.32Å; W171-F222 AromaticContact CZ2-CD2 3.83Å; W171-F222 HydrophobicContact CZ2-CD2 3.83Å; W171-F222 HydrophobicContact CZ2-CE2 4.28Å; W171-N225 HydrophobicContact CB-CB 4.02Å; W171-N225 WeakPolarHBondContact O-CB 3.45Å; W171-N225 PolarHBondContact O-ND2 3.43Å; W171-R226 HydrophobicContact CB-CB 4Å; W171-R226 HydrophobicContact CD2-CB 3.59Å; W171-R226 HydrophobicContact CD2-CG 3.87Å; W171-R226 HydrophobicContact CE3-CB 4Å; W171-R226 HydrophobicContact CE3-CG 3.84Å; W171-R226 HydrophobicContact CG-CB 3.59Å; W171-R226 HydrophobicContact CG-CG 4.39Å; W171-R226 HydrophobicContact CH2-CG 4.34Å; W171-R226 HydrophobicContact CZ2-CG 4.36Å; W171-R226 HydrophobicContact CZ3-CG 4.08Å |
| 172 | N | 93.8 | Very high | 87.6 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | trans | -79.3 | 142.4 | -179 | -69.4 | 131.2 | 0 | 0 | 0 | 111.2 | C167 G168 H169 C176 E221 | C167-N172 WeakPolarHBondContact CA-OD1 2.99Å; G168-N172 PolarHBondContact N-OD1 3.14Å; H169-N172 VanDerWaalsContact CB-OD1 3.3Å; H169-N172 WeakPolarHBondContact CB-OD1 3.38Å; H169-N172 PolarHBondContact N-OD1 3.45Å; H169-N172 PolarHBondContact ND1-OD1 3.13Å; H169-N172 VanDerWaalsContact ND1-OD1 3.14Å; H169-N172 WeakPolarHBondContact O-CB 3.46Å; H169-N172 PolarHBondContact O-N 2.88Å; N172-C176 HydrophobicContact CB-CB 4.24Å; N172-C176 PolarHBondContact ND2-SG 3.02Å; N172-C176 VanDerWaalsContact ND2-SG 3.45Å; N172-E221 WeakPolarHBondContact CA-OE2 3.21Å; N172-E221 WeakPolarHBondContact CB-OE2 3.48Å; N172-E221 PolarHBondContact ND2-OE2 3.49Å | ||
| 173 | T | 91.6 | Very high | 87.1 | Confident | 63 Ų | 63 | 58.2 Ų | 58.2 | 39% | 0.387 | 32% | 0.317 | S | S | . | . | trans | -104.7 | 172.3 | 177.3 | 78.7 | 0 | 0 | 0 | 0 | 111.1 | E175 C176 E221 | T173-E175 PolarHBondContact O-N 3.4Å; T173-E175 VanDerWaalsContact OG1-CB 3.31Å; T173-E175 WeakPolarHBondContact OG1-CB 3.38Å; T173-E175 PolarHBondContact OG1-N 3.34Å; T173-C176 VanDerWaalsContact O-CB 3.29Å; T173-C176 WeakPolarHBondContact O-CB 3.07Å; T173-C176 PolarHBondContact O-N 3.06Å; T173-E221 PolarHBondContact N-OE1 3.06Å; T173-E221 PolarHBondContact N-OE2 3.39Å; T173-E221 PolarHBondContact OG1-OE1 2.91Å | ||
| 174 | D | 85.2 | Confident | 86.5 | Confident | 150 Ų | 150 | 60.2 Ų | 60.2 | 80% | 0.802 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -3.6 | 170.5 | -65.1 | -32.6 | 0 | 0 | 0 | 112.5 | R213 | D174-R213 WeakPolarHBondContact O-CD 3.5Å; D174-R213 PolarHBondContact O-NE 3.44Å; D174-R213 PolarHBondContact O-NH1 3.07Å; D174-R213 PolarHBondContact O-NH2 3.4Å |
| 175 | E | 85.8 | Confident | 86 | Confident | 59 Ų | 59 | 62 Ų | 62 | 28% | 0.276 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -22.3 | 171.5 | -66.8 | -171.3 | 157.7 | 0 | 0 | 112.7 | T173 L177 R213 S214 K216 | T173-E175 PolarHBondContact O-N 3.4Å; T173-E175 VanDerWaalsContact OG1-CB 3.31Å; T173-E175 WeakPolarHBondContact OG1-CB 3.38Å; T173-E175 PolarHBondContact OG1-N 3.34Å; E175-L177 PolarHBondContact O-N 3.27Å; E175-R213 PolarHBondContact O-NE 3.37Å; E175-R213 PolarHBondContact O-NH2 2.64Å; E175-R213 VanDerWaalsContact O-NH2 3.09Å; E175-S214 WeakPolarHBondContact CB-O 3.46Å; E175-S214 VanDerWaalsContact CG-O 3.28Å; E175-S214 WeakPolarHBondContact CG-O 3.35Å; E175-K216 PolarHBondContact O-N 3.3Å; E175-K216 WeakPolarHBondContact OE2-CD 3.41Å; E175-K216 VanDerWaalsContact OE2-CE 3.32Å; E175-K216 WeakPolarHBondContact OE2-CE 3.4Å; E175-K216 IonicContact OE2-NZ 3.9Å; E175-K216 PolarHBondContact OE2-NZ 3.34Å |
| 176 | C | 89.4 | Confident | 85.6 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 7% | 0.074 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -63.1 | 117.3 | -175.5 | -166.6 | 0 | 0 | 0 | 0 | 113.3 | C167 N172 T173 R213 E221 | C167-C176 HydrophobicContact CB-CB 3.9Å; C167-C176 WeakPolarHBondContact CB-SG 3.38Å; C167-C176 WeakPolarHBondContact SG-CB 3.49Å; C167-C176 PolarHBondContact SG-O 3.14Å; C167-C176 VanDerWaalsContact SG-O 3.37Å; C167-C176 CovalentContact SG-SG 2.04Å; C167-C176 PolarHBondContact SG-SG 2.98Å; N172-C176 HydrophobicContact CB-CB 4.24Å; N172-C176 PolarHBondContact ND2-SG 3.02Å; N172-C176 VanDerWaalsContact ND2-SG 3.45Å; T173-C176 VanDerWaalsContact O-CB 3.29Å; T173-C176 WeakPolarHBondContact O-CB 3.07Å; T173-C176 PolarHBondContact O-N 3.06Å; C176-R213 PolarHBondContact O-NH2 3.05Å; C176-E221 VanDerWaalsContact CB-OE2 3.25Å; C176-E221 WeakPolarHBondContact CB-OE2 3.29Å; C176-E221 PolarHBondContact N-OE1 3.07Å |
| 177 | L | 85.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | trans | -106.7 | 114.8 | 173.3 | 179.4 | 65.1 | 0 | 0 | 0 | 110.7 | C167 E175 Y179 I184 H188 F210 I215 K216 P218 | C167-L177 VanDerWaalsContact SG-C 3.59Å; E175-L177 PolarHBondContact O-N 3.27Å; L177-Y179 HydrophobicContact CD2-CD1 4.35Å; L177-Y179 HydrophobicContact CD2-CE1 3.78Å; L177-Y179 HydrophobicContact CD2-CE2 4.48Å; L177-Y179 HydrophobicContact CG-CE1 4.45Å; L177-Y179 WeakPolarHBondContact O-CD2 3.35Å; L177-Y179 PolarHBondContact O-N 3.28Å; L177-I184 HydrophobicContact CD1-CB 4.16Å; L177-I184 HydrophobicContact CD1-CG2 3.26Å; L177-H188 HydrophobicContact CD2-CB 3.97Å; L177-F210 HydrophobicContact CD1-CE1 4.22Å; L177-F210 HydrophobicContact CD1-CZ 4.46Å; L177-I215 HydrophobicContact CB-CG2 3.56Å; L177-I215 HydrophobicContact CD2-CG2 3.59Å; L177-I215 HydrophobicContact CG-CG2 4.21Å; L177-K216 PolarHBondContact N-O 3.08Å; L177-P218 WeakPolarHBondContact O-CD 3.47Å | ||
| 178 | D | 83.6 | Confident | 85 | Confident | 24 Ų | 24 | 62.8 Ų | 62.8 | 13% | 0.128 | 34% | 0.338 | C | S | . | . | trans | -83.4 | 104.9 | 172.1 | -169 | -15 | 0 | 0 | 0 | 110.3 | S166 C167 N180 N181 | S166-D178 VanDerWaalsContact CA-OD2 3.3Å; S166-D178 WeakPolarHBondContact CA-OD2 3.3Å; S166-D178 VanDerWaalsContact CB-OD2 3.25Å; S166-D178 WeakPolarHBondContact CB-OD2 3.35Å; C167-D178 HydrophobicContact CB-CB 4.21Å; C167-D178 PolarHBondContact SG-N 3.26Å; C167-D178 VanDerWaalsContact SG-N 3.37Å; D178-N180 PolarHBondContact O-N 2.56Å; D178-N180 WeakPolarHBondContact OD1-CA 3.42Å; D178-N180 VanDerWaalsContact OD1-CB 3.27Å; D178-N180 WeakPolarHBondContact OD1-CB 3.31Å; D178-N180 PolarHBondContact OD1-N 3.31Å; D178-N181 HydrophobicContact CB-CB 4.26Å; D178-N181 WeakPolarHBondContact O-CB 3.22Å; D178-N181 PolarHBondContact O-N 3.31Å; D178-N181 VanDerWaalsContact O-N 3.12Å | ||
| 179 | Y | 75.4 | Confident | 84.7 | Confident | 22 Ų | 22 | 61.9 Ų | 61.9 | 9% | 0.086 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -16.2 | 177.8 | -64.1 | -87.8 | 0 | 0 | 0 | 113.4 | L177 N181 Y185 T379 K381 R404 | L177-Y179 HydrophobicContact CD2-CD1 4.35Å; L177-Y179 HydrophobicContact CD2-CE1 3.78Å; L177-Y179 HydrophobicContact CD2-CE2 4.48Å; L177-Y179 HydrophobicContact CG-CE1 4.45Å; L177-Y179 WeakPolarHBondContact O-CD2 3.35Å; L177-Y179 PolarHBondContact O-N 3.28Å; Y179-N181 VanDerWaalsContact C-N 3.27Å; Y179-Y185 AromaticContact CD1-CD2 3.45Å; Y179-Y185 HydrophobicContact CD1-CD2 3.45Å; Y179-Y185 VanDerWaalsContact CD1-CD2 3.45Å; Y179-Y185 AromaticContact CD1-CE2 3.55Å; Y179-Y185 HydrophobicContact CD1-CE2 3.55Å; Y179-Y185 HydrophobicContact CD1-CG 4.41Å; Y179-Y185 HydrophobicContact CE1-CD2 4.03Å; Y179-Y185 AromaticContact CE1-CE2 3.93Å; Y179-Y185 HydrophobicContact CE1-CE2 3.93Å; Y179-Y185 HydrophobicContact CG-CD2 4.47Å; Y179-T379 HydrophobicContact CD1-CG2 4.41Å; Y179-K381 WeakPolarHBondContact OH-CE 3.5Å; Y179-K381 PolarHBondContact OH-NZ 3.08Å; Y179-R404 VanDerWaalsContact CB-NH2 3.26Å; Y179-R404 VanDerWaalsContact CD2-NH2 3.28Å; Y179-R404 VanDerWaalsContact CG-NH2 3.27Å |
| 180 | N | 74.1 | Confident | 84.3 | Confident | 88 Ų | 88 | 64.8 Ų | 64.8 | 47% | 0.471 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -14.1 | 174.2 | -59.1 | -45.6 | 0 | 0 | 0 | 111.8 | S165 D178 E182 | S165-N180 PolarHBondContact O-ND2 3.4Å; D178-N180 PolarHBondContact O-N 2.56Å; D178-N180 WeakPolarHBondContact OD1-CA 3.42Å; D178-N180 VanDerWaalsContact OD1-CB 3.27Å; D178-N180 WeakPolarHBondContact OD1-CB 3.31Å; D178-N180 PolarHBondContact OD1-N 3.31Å; N180-E182 PolarHBondContact O-N 3.24Å |
| 181 | N | 81.1 | Confident | 83.8 | Confident | 62 Ų | 62 | 57.1 Ų | 57.1 | 33% | 0.332 | 30% | 0.295 | S | S | . | . | trans | -84.9 | 94.4 | 171.2 | -171 | -31.2 | 0 | 0 | 0 | 109.9 | D178 Y179 T183 I184 Y185 | D178-N181 HydrophobicContact CB-CB 4.26Å; D178-N181 WeakPolarHBondContact O-CB 3.22Å; D178-N181 PolarHBondContact O-N 3.31Å; D178-N181 VanDerWaalsContact O-N 3.12Å; Y179-N181 VanDerWaalsContact C-N 3.27Å; N181-T183 PolarHBondContact O-N 3.28Å; N181-T183 VanDerWaalsContact O-N 3.12Å; N181-T183 PolarHBondContact OD1-N 3.11Å; N181-I184 HydrophobicContact CB-CB 4.41Å; N181-I184 HydrophobicContact CB-CD1 4.26Å; N181-I184 HydrophobicContact CB-CG1 4.3Å; N181-I184 VanDerWaalsContact ND2-CD1 3.34Å; N181-I184 WeakPolarHBondContact ND2-CD1 3.23Å; N181-I184 PolarHBondContact O-N 2.87Å; N181-I184 VanDerWaalsContact O-N 3.11Å; N181-I184 PolarHBondContact OD1-N 2.83Å; N181-Y185 WeakPolarHBondContact O-CB 3.5Å; N181-Y185 PolarHBondContact O-N 2.9Å | ||
| 182 | E | 77.9 | Confident | 83.1 | Confident | 164 Ų | 164 | 59.9 Ų | 59.9 | 77% | 0.766 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -52.5 | -36 | -177.7 | -70.4 | -173.3 | 168.2 | 0 | 0 | 113.4 | N180 S186 | N180-E182 PolarHBondContact O-N 3.24Å; E182-S186 VanDerWaalsContact O-CB 3.22Å; E182-S186 WeakPolarHBondContact O-CB 3.43Å; E182-S186 PolarHBondContact O-N 3.08Å; E182-S186 PolarHBondContact O-OG 3.21Å |
| 183 | T | 82.1 | Confident | 82.5 | Confident | 108 Ų | 108 | 63.8 Ų | 63.8 | 66% | 0.663 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.7 | -47.2 | 179.9 | -49.6 | 0 | 0 | 0 | 0 | 111.3 | N181 S186 A187 | N181-T183 PolarHBondContact O-N 3.28Å; N181-T183 VanDerWaalsContact O-N 3.12Å; N181-T183 PolarHBondContact OD1-N 3.11Å; T183-S186 PolarHBondContact O-OG 2.93Å; T183-S186 VanDerWaalsContact O-OG 3.06Å; T183-A187 WeakPolarHBondContact O-CB 2.97Å; T183-A187 PolarHBondContact O-N 3.31Å |
| 184 | I | 80.5 | Confident | 82.1 | Confident | 58 Ų | 58 | 64.5 Ų | 64.5 | 30% | 0.297 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -73.6 | -38.6 | -179.7 | -52.2 | 177.4 | 0 | 0 | 0 | 110.2 | L177 N181 A187 H188 L209 F210 | L177-I184 HydrophobicContact CD1-CB 4.16Å; L177-I184 HydrophobicContact CD1-CG2 3.26Å; N181-I184 HydrophobicContact CB-CB 4.41Å; N181-I184 HydrophobicContact CB-CD1 4.26Å; N181-I184 HydrophobicContact CB-CG1 4.3Å; N181-I184 VanDerWaalsContact ND2-CD1 3.34Å; N181-I184 WeakPolarHBondContact ND2-CD1 3.23Å; N181-I184 PolarHBondContact O-N 2.87Å; N181-I184 VanDerWaalsContact O-N 3.11Å; N181-I184 PolarHBondContact OD1-N 2.83Å; I184-A187 WeakPolarHBondContact O-CB 3.46Å; I184-A187 PolarHBondContact O-N 3.19Å; I184-H188 PolarHBondContact O-N 3.28Å; I184-L209 HydrophobicContact CG2-CD2 4.38Å; I184-F210 HydrophobicContact CG2-CZ 4.09Å |
| 185 | Y | 81.1 | Confident | 81.9 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 15% | 0.153 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 178.9 | -179.4 | -121.4 | 0 | 0 | 0 | 112.6 | Y179 N181 A187 H188 L189 V378 T379 | Y179-Y185 AromaticContact CD1-CD2 3.45Å; Y179-Y185 HydrophobicContact CD1-CD2 3.45Å; Y179-Y185 VanDerWaalsContact CD1-CD2 3.45Å; Y179-Y185 AromaticContact CD1-CE2 3.55Å; Y179-Y185 HydrophobicContact CD1-CE2 3.55Å; Y179-Y185 HydrophobicContact CD1-CG 4.41Å; Y179-Y185 HydrophobicContact CE1-CD2 4.03Å; Y179-Y185 AromaticContact CE1-CE2 3.93Å; Y179-Y185 HydrophobicContact CE1-CE2 3.93Å; Y179-Y185 HydrophobicContact CG-CD2 4.47Å; N181-Y185 WeakPolarHBondContact O-CB 3.5Å; N181-Y185 PolarHBondContact O-N 2.9Å; Y185-A187 VanDerWaalsContact C-N 3.31Å; Y185-A187 PolarHBondContact O-N 3.37Å; Y185-H188 WeakPolarHBondContact O-CB 3.45Å; Y185-H188 PolarHBondContact O-N 2.86Å; Y185-H188 VanDerWaalsContact O-N 3.11Å; Y185-L189 HydrophobicContact CD1-CD1 4.18Å; Y185-L189 HydrophobicContact CD2-CG 4.49Å; Y185-L189 HydrophobicContact CE1-CD1 3.59Å; Y185-L189 HydrophobicContact CE1-CG 4.17Å; Y185-L189 HydrophobicContact CE2-CD1 4.33Å; Y185-L189 HydrophobicContact CE2-CD2 4.14Å; Y185-L189 HydrophobicContact CE2-CG 4Å; Y185-L189 PolarHBondContact O-N 3.44Å; Y185-V378 PolarHBondContact OH-O 3.5Å; Y185-T379 PolarHBondContact OH-O 2.62Å |
| 186 | S | 81.5 | Confident | 81.6 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 44% | 0.441 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.8 | -36.1 | 175.8 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | E182 T183 L189 R190 | E182-S186 VanDerWaalsContact O-CB 3.22Å; E182-S186 WeakPolarHBondContact O-CB 3.43Å; E182-S186 PolarHBondContact O-N 3.08Å; E182-S186 PolarHBondContact O-OG 3.21Å; T183-S186 PolarHBondContact O-OG 2.93Å; T183-S186 VanDerWaalsContact O-OG 3.06Å; S186-L189 PolarHBondContact O-N 3Å; S186-R190 PolarHBondContact O-N 3.37Å |
| 187 | A | 83.4 | Confident | 81.2 | Confident | 18 Ų | 18 | 69.5 Ų | 69.5 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T183 I184 Y185 R190 Y191 I206 F210 | T183-A187 WeakPolarHBondContact O-CB 2.97Å; T183-A187 PolarHBondContact O-N 3.31Å; I184-A187 WeakPolarHBondContact O-CB 3.46Å; I184-A187 PolarHBondContact O-N 3.19Å; Y185-A187 VanDerWaalsContact C-N 3.31Å; Y185-A187 PolarHBondContact O-N 3.37Å; A187-R190 PolarHBondContact O-N 3.05Å; A187-Y191 PolarHBondContact O-N 3.04Å; A187-I206 HydrophobicContact CB-CD1 4.2Å; A187-I206 HydrophobicContact CB-CG1 4.11Å; A187-I206 HydrophobicContact CB-CG2 4.37Å; A187-I206 VanDerWaalsContact O-CG2 3.27Å; A187-I206 WeakPolarHBondContact O-CG2 3.25Å; A187-F210 HydrophobicContact CB-CE2 3.91Å; A187-F210 HydrophobicContact CB-CZ 4.47Å |
| 188 | H | 83.8 | Confident | 80.7 | Confident | 19 Ų | 19 | 72 Ų | 72 | 9% | 0.088 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 176.9 | 178.6 | 51.5 | 0 | 0 | 0 | 112.3 | L177 I184 Y185 R190 Y191 R192 F210 I215 | L177-H188 HydrophobicContact CD2-CB 3.97Å; I184-H188 PolarHBondContact O-N 3.28Å; Y185-H188 WeakPolarHBondContact O-CB 3.45Å; Y185-H188 PolarHBondContact O-N 2.86Å; Y185-H188 VanDerWaalsContact O-N 3.11Å; H188-R190 VanDerWaalsContact C-N 3.35Å; H188-R190 PolarHBondContact O-N 3.3Å; H188-Y191 WeakPolarHBondContact O-CB 3.42Å; H188-Y191 PolarHBondContact O-N 3.25Å; H188-R192 PolarHBondContact O-N 2.86Å; H188-F210 VanDerWaalsContact CA-CE2 3.47Å; H188-F210 HydrophobicContact CB-CE1 3.93Å; H188-F210 HydrophobicContact CB-CE2 4Å; H188-F210 HydrophobicContact CB-CZ 3.51Å; H188-I215 WeakPolarHBondContact CE1-CD1 3.25Å; H188-I215 WeakPolarHBondContact ND1-CD1 3.37Å |
| 189 | L | 81.3 | Confident | 79.9 | Confident | 56 Ų | 56 | 76.3 Ų | 76.3 | 29% | 0.293 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 175.7 | -73.2 | 178.8 | 0 | 0 | 0 | 111.3 | Y185 S186 Y191 R192 E193 | Y185-L189 HydrophobicContact CD1-CD1 4.18Å; Y185-L189 HydrophobicContact CD2-CG 4.49Å; Y185-L189 HydrophobicContact CE1-CD1 3.59Å; Y185-L189 HydrophobicContact CE1-CG 4.17Å; Y185-L189 HydrophobicContact CE2-CD1 4.33Å; Y185-L189 HydrophobicContact CE2-CD2 4.14Å; Y185-L189 HydrophobicContact CE2-CG 4Å; Y185-L189 PolarHBondContact O-N 3.44Å; S186-L189 PolarHBondContact O-N 3Å; L189-Y191 VanDerWaalsContact C-N 3.31Å; L189-Y191 PolarHBondContact O-N 3.22Å; L189-R192 PolarHBondContact O-N 3.09Å; L189-R192 VanDerWaalsContact O-N 3.14Å; L189-E193 WeakPolarHBondContact O-CG 3.35Å; L189-E193 PolarHBondContact O-N 3.25Å |
| 190 | R | 82.7 | Confident | 79.5 | Confident | 116 Ų | 116 | 77.3 Ų | 77.3 | 44% | 0.438 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 176.6 | -166.1 | -177.9 | -67.6 | 172.7 | -0.4 | 112.2 | S186 A187 H188 E193 W194 T200 M203 I206 | S186-R190 PolarHBondContact O-N 3.37Å; A187-R190 PolarHBondContact O-N 3.05Å; H188-R190 VanDerWaalsContact C-N 3.35Å; H188-R190 PolarHBondContact O-N 3.3Å; R190-E193 PolarHBondContact O-N 3.25Å; R190-W194 WeakPolarHBondContact O-CB 3.25Å; R190-W194 PolarHBondContact O-N 3.45Å; R190-T200 HydrophobicContact CG-CG2 3.93Å; R190-M203 HydrophobicContact CG-SD 3.85Å; R190-I206 HydrophobicContact CB-CD1 4.36Å; R190-I206 HydrophobicContact CG-CD1 4.44Å |
| 191 | Y | 84.3 | Confident | 79.6 | Confident | 23 Ų | 23 | 81.1 Ų | 81.1 | 9% | 0.09 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 173 | -178.1 | -110.3 | 0 | 0 | 0 | 112.3 | A187 H188 L189 W194 L195 M203 I206 F207 F210 | A187-Y191 PolarHBondContact O-N 3.04Å; H188-Y191 WeakPolarHBondContact O-CB 3.42Å; H188-Y191 PolarHBondContact O-N 3.25Å; L189-Y191 VanDerWaalsContact C-N 3.31Å; L189-Y191 PolarHBondContact O-N 3.22Å; Y191-W194 HydrophobicContact CD2-CE3 4.27Å; Y191-W194 HydrophobicContact CE2-CE3 4.12Å; Y191-W194 HydrophobicContact CE2-CZ3 4.15Å; Y191-W194 WeakPolarHBondContact O-CB 3.36Å; Y191-W194 PolarHBondContact O-N 3.1Å; Y191-L195 HydrophobicContact CD1-CD1 3.96Å; Y191-L195 HydrophobicContact CE1-CD1 3.53Å; Y191-L195 HydrophobicContact CE1-CG 4.2Å; Y191-L195 WeakPolarHBondContact O-CG 3.36Å; Y191-L195 PolarHBondContact O-N 3.38Å; Y191-M203 HydrophobicContact CD2-CE 3.79Å; Y191-M203 HydrophobicContact CG-CE 4.48Å; Y191-I206 HydrophobicContact CD2-CG2 4.44Å; Y191-I206 HydrophobicContact CG-CG2 4.48Å; Y191-F207 HydrophobicContact CE2-CD2 4.05Å; Y191-F210 HydrophobicContact CD1-CB 3.54Å; Y191-F210 HydrophobicContact CD1-CD2 4.39Å; Y191-F210 HydrophobicContact CD1-CG 4.13Å; Y191-F210 HydrophobicContact CD2-CB 4.11Å; Y191-F210 HydrophobicContact CE1-CB 3.61Å; Y191-F210 HydrophobicContact CE2-CB 4.21Å; Y191-F210 HydrophobicContact CG-CB 3.79Å; Y191-F210 HydrophobicContact CG-CD2 4.08Å; Y191-F210 HydrophobicContact CG-CG 4.25Å |
| 192 | R | 80.1 | Confident | 79.3 | Confident | 87 Ų | 87 | 85 Ų | 85 | 33% | 0.328 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 177.9 | -171.5 | 173.2 | 168.7 | 122.8 | -5.4 | 111.9 | H188 L189 L195 V196 E385 | H188-R192 PolarHBondContact O-N 2.86Å; L189-R192 PolarHBondContact O-N 3.09Å; L189-R192 VanDerWaalsContact O-N 3.14Å; R192-L195 PolarHBondContact O-N 3.29Å; R192-V196 WeakPolarHBondContact O-CG2 3.43Å; R192-V196 PolarHBondContact O-N 2.94Å; R192-E385 IonicContact CZ-OE1 3.98Å; R192-E385 IonicContact CZ-OE2 2.98Å; R192-E385 IonicContact NH1-OE1 3.09Å; R192-E385 IonicContact NH1-OE2 3.78Å; R192-E385 PolarHBondContact NH1-OE2 3.21Å; R192-E385 IonicContact NH2-OE1 3.73Å; R192-E385 PolarHBondContact NH2-OE1 3.23Å; R192-E385 IonicContact NH2-OE2 3.06Å; R192-E385 PolarHBondContact NH2-OE2 2.98Å |
| 193 | E | 81.1 | Confident | 79.4 | Confident | 109 Ų | 109 | 78 Ų | 78 | 51% | 0.509 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 173.3 | -73.2 | 175.4 | 179.4 | 0 | 0 | 112 | L189 R190 V196 N197 | L189-E193 WeakPolarHBondContact O-CG 3.35Å; L189-E193 PolarHBondContact O-N 3.25Å; R190-E193 PolarHBondContact O-N 3.25Å; E193-V196 PolarHBondContact O-N 3.39Å; E193-N197 WeakPolarHBondContact O-CB 3.18Å; E193-N197 PolarHBondContact O-N 3.25Å |
| 194 | W | 83.3 | Confident | 79.4 | Confident | 77 Ų | 77 | 80.7 Ų | 80.7 | 29% | 0.292 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 174.8 | 179.7 | 75 | 0 | 0 | 0 | 112.4 | R190 Y191 V196 G198 T200 M203 F207 | R190-W194 WeakPolarHBondContact O-CB 3.25Å; R190-W194 PolarHBondContact O-N 3.45Å; Y191-W194 HydrophobicContact CD2-CE3 4.27Å; Y191-W194 HydrophobicContact CE2-CE3 4.12Å; Y191-W194 HydrophobicContact CE2-CZ3 4.15Å; Y191-W194 WeakPolarHBondContact O-CB 3.36Å; Y191-W194 PolarHBondContact O-N 3.1Å; W194-V196 PolarHBondContact O-N 3.43Å; W194-G198 VanDerWaalsContact O-CA 3.26Å; W194-G198 WeakPolarHBondContact O-CA 3.46Å; W194-G198 PolarHBondContact O-N 3.43Å; W194-T200 VanDerWaalsContact CB-OG1 3.29Å; W194-T200 WeakPolarHBondContact CB-OG1 3.3Å; W194-M203 HydrophobicContact CB-CE 3.7Å; W194-M203 HydrophobicContact CB-CG 4.37Å; W194-M203 HydrophobicContact CB-SD 4.17Å; W194-M203 HydrophobicContact CD2-CE 4.1Å; W194-M203 HydrophobicContact CE3-CE 4.33Å; W194-M203 HydrophobicContact CG-CE 3.83Å; W194-M203 HydrophobicContact CG-CG 4.05Å; W194-M203 HydrophobicContact CG-SD 4.41Å; W194-F207 AromaticContact CH2-CD2 3.69Å; W194-F207 HydrophobicContact CH2-CD2 3.69Å; W194-F207 AromaticContact CH2-CE2 3.77Å; W194-F207 HydrophobicContact CH2-CE2 3.77Å; W194-F207 AromaticContact CZ3-CD2 3.67Å; W194-F207 HydrophobicContact CZ3-CD2 3.67Å; W194-F207 AromaticContact CZ3-CE2 3.92Å; W194-F207 HydrophobicContact CZ3-CE2 3.92Å |
| 195 | L | 81.3 | Confident | 79.5 | Confident | 105 Ų | 105 | 86 Ų | 86 | 55% | 0.55 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60 | -26.9 | 176.6 | -74.3 | 173.3 | 0 | 0 | 0 | 113.1 | Y191 R192 | Y191-L195 HydrophobicContact CD1-CD1 3.96Å; Y191-L195 HydrophobicContact CE1-CD1 3.53Å; Y191-L195 HydrophobicContact CE1-CG 4.2Å; Y191-L195 WeakPolarHBondContact O-CG 3.36Å; Y191-L195 PolarHBondContact O-N 3.38Å; R192-L195 PolarHBondContact O-N 3.29Å |
| 196 | V | 80.3 | Confident | 79.6 | Confident | 113 Ų | 113 | 85.1 Ų | 85.1 | 69% | 0.685 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -93 | -45.2 | -179.7 | 179.3 | 0 | 0 | 0 | 0 | 112 | R192 E193 W194 | R192-V196 WeakPolarHBondContact O-CG2 3.43Å; R192-V196 PolarHBondContact O-N 2.94Å; E193-V196 PolarHBondContact O-N 3.39Å; W194-V196 PolarHBondContact O-N 3.43Å |
| 197 | N | 80.1 | Confident | 79.8 | Confident | 108 Ų | 108 | 85 Ų | 85 | 58% | 0.578 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -103.5 | -24.4 | -169.2 | -65.3 | -20.5 | 0 | 0 | 0 | 113.9 | E193 T199 | E193-N197 WeakPolarHBondContact O-CB 3.18Å; E193-N197 PolarHBondContact O-N 3.25Å; N197-T199 VanDerWaalsContact C-N 3.31Å; N197-T199 WeakPolarHBondContact O-CG2 3.4Å; N197-T199 PolarHBondContact O-N 3.26Å |
| 198 | G | 75 | Confident | 79.8 | Confident | 52 Ų | 52 | 90.8 Ų | 90.8 | 54% | 0.536 | 46% | 0.46 | S | S | . | . | trans | 72.2 | 7.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | W194 | W194-G198 VanDerWaalsContact O-CA 3.26Å; W194-G198 WeakPolarHBondContact O-CA 3.46Å; W194-G198 PolarHBondContact O-N 3.43Å | ||
| 199 | T | 68.5 | Low | 79.7 | Confident | 116 Ų | 116 | 93.7 Ų | 93.7 | 71% | 0.712 | 48% | 0.475 | S | S | * | . | trans | -118.9 | 22.3 | -161.4 | 49.3 | 0 | 0 | 0 | 0 | 117.3 | N197 | N197-T199 VanDerWaalsContact C-N 3.31Å; N197-T199 WeakPolarHBondContact O-CG2 3.4Å; N197-T199 PolarHBondContact O-N 3.26Å | ||
| 200 | T | 65.9 | Low | 79.8 | Confident | 42 Ų | 42 | 91.1 Ų | 91.1 | 26% | 0.258 | 46% | 0.462 | S | S | . | . | trans | -96 | 130.5 | -178.9 | 41.7 | 0 | 0 | 0 | 0 | 113.6 | R190 W194 M203 | R190-T200 HydrophobicContact CG-CG2 3.93Å; W194-T200 VanDerWaalsContact CB-OG1 3.29Å; W194-T200 WeakPolarHBondContact CB-OG1 3.3Å; T200-M203 WeakPolarHBondContact O-CG 3.09Å; T200-M203 WeakPolarHBondContact OG1-CG 3Å; T200-M203 PolarHBondContact OG1-SD 3.39Å | ||
| 201 | E | 75.7 | Confident | 79.8 | Confident | 168 Ų | 168 | 89.6 Ų | 89.6 | 79% | 0.785 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -71.2 | 153.4 | 171.8 | -65.2 | -179.2 | 175.3 | 0 | 0 | 111.7 | M203 | E201-M203 PolarHBondContact O-N 3.27Š|
| 202 | N | 75.1 | Confident | 79.3 | Confident | 145 Ų | 145 | 95.4 Ų | 95.4 | 78% | 0.775 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 55.9 | 42.3 | 177.4 | -61.1 | -19.5 | 0 | 0 | 0 | 114.7 | ||
| 203 | M | 79.4 | Confident | 79.3 | Confident | 16 Ų | 16 | 94.2 Ų | 94.2 | 8% | 0.079 | 49% | 0.488 | C | S | . | . | trans | -84.7 | -9.6 | -179.3 | -85 | -60.9 | -61.3 | 0 | 0 | 115.3 | R190 Y191 W194 T200 E201 E205 I206 F207 | R190-M203 HydrophobicContact CG-SD 3.85Å; Y191-M203 HydrophobicContact CD2-CE 3.79Å; Y191-M203 HydrophobicContact CG-CE 4.48Å; W194-M203 HydrophobicContact CB-CE 3.7Å; W194-M203 HydrophobicContact CB-CG 4.37Å; W194-M203 HydrophobicContact CB-SD 4.17Å; W194-M203 HydrophobicContact CD2-CE 4.1Å; W194-M203 HydrophobicContact CE3-CE 4.33Å; W194-M203 HydrophobicContact CG-CE 3.83Å; W194-M203 HydrophobicContact CG-CG 4.05Å; W194-M203 HydrophobicContact CG-SD 4.41Å; T200-M203 WeakPolarHBondContact O-CG 3.09Å; T200-M203 WeakPolarHBondContact OG1-CG 3Å; T200-M203 PolarHBondContact OG1-SD 3.39Å; E201-M203 PolarHBondContact O-N 3.27Å; M203-E205 PolarHBondContact O-N 3.41Å; M203-I206 HydrophobicContact CE-CB 4.01Å; M203-I206 HydrophobicContact CE-CG2 3.69Å; M203-I206 PolarHBondContact O-N 3.14Å; M203-I206 HydrophobicContact SD-CB 4.12Å; M203-I206 HydrophobicContact SD-CD1 4.14Å; M203-I206 HydrophobicContact SD-CG2 4.1Å; M203-F207 WeakPolarHBondContact O-CB 3.12Å; M203-F207 PolarHBondContact O-N 2.87Å | ||
| 204 | E | 83 | Confident | 79.1 | Confident | 164 Ų | 164 | 92.3 Ų | 92.3 | 77% | 0.766 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58 | -49.5 | -172.6 | -69.4 | -176.8 | 176.3 | 0 | 0 | 113.1 | I206 F207 L208 | E204-I206 PolarHBondContact O-N 2.91Å; E204-F207 PolarHBondContact O-N 2.97Å; E204-L208 WeakPolarHBondContact O-CB 3.35Å; E204-L208 VanDerWaalsContact O-CG 3.29Å; E204-L208 WeakPolarHBondContact O-CG 3.28Å; E204-L208 PolarHBondContact O-N 2.9Å |
| 205 | E | 82.8 | Confident | 79 | Confident | 169 Ų | 169 | 90.5 Ų | 90.5 | 79% | 0.79 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | 178.6 | -67.1 | -177.7 | 172.4 | 0 | 0 | 112.1 | M203 L208 L209 | M203-E205 PolarHBondContact O-N 3.41Å; E205-L208 PolarHBondContact O-N 3.35Å; E205-L209 WeakPolarHBondContact O-CB 3.29Å; E205-L209 PolarHBondContact O-N 3.47Å |
| 206 | I | 84 | Confident | 79.2 | Confident | 21 Ų | 21 | 88.6 Ų | 88.6 | 11% | 0.108 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -68.2 | -41.3 | -179.7 | -63.9 | 177 | 0 | 0 | 0 | 110.6 | A187 R190 Y191 M203 E204 L209 F210 | A187-I206 HydrophobicContact CB-CD1 4.2Å; A187-I206 HydrophobicContact CB-CG1 4.11Å; A187-I206 HydrophobicContact CB-CG2 4.37Å; A187-I206 VanDerWaalsContact O-CG2 3.27Å; A187-I206 WeakPolarHBondContact O-CG2 3.25Å; R190-I206 HydrophobicContact CB-CD1 4.36Å; R190-I206 HydrophobicContact CG-CD1 4.44Å; Y191-I206 HydrophobicContact CD2-CG2 4.44Å; Y191-I206 HydrophobicContact CG-CG2 4.48Å; M203-I206 HydrophobicContact CE-CB 4.01Å; M203-I206 HydrophobicContact CE-CG2 3.69Å; M203-I206 PolarHBondContact O-N 3.14Å; M203-I206 HydrophobicContact SD-CB 4.12Å; M203-I206 HydrophobicContact SD-CD1 4.14Å; M203-I206 HydrophobicContact SD-CG2 4.1Å; E204-I206 PolarHBondContact O-N 2.91Å; I206-L209 WeakPolarHBondContact O-CB 3.48Å; I206-L209 PolarHBondContact O-N 3.31Å; I206-F210 HydrophobicContact CG2-CD2 3.83Å; I206-F210 HydrophobicContact CG2-CE2 4.09Å; I206-F210 WeakPolarHBondContact O-CD2 3.44Å; I206-F210 PolarHBondContact O-N 2.87Å; I206-F210 VanDerWaalsContact O-N 3.12Å |
| 207 | F | 84.3 | Confident | 79.5 | Confident | 61 Ų | 61 | 83.9 Ų | 83.9 | 27% | 0.268 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.3 | -49 | 174.9 | 176 | -90.4 | 0 | 0 | 0 | 109.9 | Y191 W194 M203 E204 L209 F210 H211 | Y191-F207 HydrophobicContact CE2-CD2 4.05Å; W194-F207 AromaticContact CH2-CD2 3.69Å; W194-F207 HydrophobicContact CH2-CD2 3.69Å; W194-F207 AromaticContact CH2-CE2 3.77Å; W194-F207 HydrophobicContact CH2-CE2 3.77Å; W194-F207 AromaticContact CZ3-CD2 3.67Å; W194-F207 HydrophobicContact CZ3-CD2 3.67Å; W194-F207 AromaticContact CZ3-CE2 3.92Å; W194-F207 HydrophobicContact CZ3-CE2 3.92Å; M203-F207 WeakPolarHBondContact O-CB 3.12Å; M203-F207 PolarHBondContact O-N 2.87Å; E204-F207 PolarHBondContact O-N 2.97Å; F207-L209 PolarHBondContact O-N 3.3Å; F207-F210 PolarHBondContact O-N 3.15Å; F207-H211 HydrophobicContact CD1-CB 4.04Å; F207-H211 HydrophobicContact CD2-CB 4.18Å; F207-H211 HydrophobicContact CE1-CB 3.79Å; F207-H211 AromaticContact CE1-CD2 3.8Å; F207-H211 AromaticContact CE1-CG 3.65Å; F207-H211 HydrophobicContact CE2-CB 3.93Å; F207-H211 AromaticContact CE2-CG 3.68Å; F207-H211 AromaticContact CE2-ND1 3.42Å; F207-H211 WeakPolarHBondContact CE2-ND1 3.28Å; F207-H211 HydrophobicContact CG-CB 4.23Å; F207-H211 HydrophobicContact CZ-CB 3.74Å; F207-H211 AromaticContact CZ-CD2 3.56Å; F207-H211 AromaticContact CZ-CE1 3.62Å; F207-H211 AromaticContact CZ-CG 3.24Å; F207-H211 AromaticContact CZ-ND1 3.28Å; F207-H211 VanDerWaalsContact CZ-ND1 3.28Å; F207-H211 WeakPolarHBondContact CZ-ND1 3.27Å; F207-H211 AromaticContact CZ-NE2 3.78Å; F207-H211 WeakPolarHBondContact O-CA 3.48Å; F207-H211 WeakPolarHBondContact O-CB 3.33Å; F207-H211 PolarHBondContact O-N 3.09Å |
| 208 | L | 83.8 | Confident | 80 | Confident | 139 Ų | 139 | 78.8 Ų | 78.8 | 73% | 0.728 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.8 | -28.8 | 176.3 | -71 | 171.6 | 0 | 0 | 0 | 112.8 | E204 E205 | E204-L208 WeakPolarHBondContact O-CB 3.35Å; E204-L208 VanDerWaalsContact O-CG 3.29Å; E204-L208 WeakPolarHBondContact O-CG 3.28Å; E204-L208 PolarHBondContact O-N 2.9Å; E205-L208 PolarHBondContact O-N 3.35Å |
| 209 | L | 82.2 | Confident | 80.8 | Confident | 80 Ų | 80 | 76.3 Ų | 76.3 | 42% | 0.419 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -77.8 | -27.8 | -180 | -162.7 | 135.9 | 0 | 0 | 0 | 113.9 | I184 E205 I206 F207 | I184-L209 HydrophobicContact CG2-CD2 4.38Å; E205-L209 WeakPolarHBondContact O-CB 3.29Å; E205-L209 PolarHBondContact O-N 3.47Å; I206-L209 WeakPolarHBondContact O-CB 3.48Å; I206-L209 PolarHBondContact O-N 3.31Å; F207-L209 PolarHBondContact O-N 3.3Å |
| 210 | F | 83.2 | Confident | 81.8 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 1% | 0.009 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -121.9 | -13.8 | -174.7 | -65.2 | -66.3 | 0 | 0 | 0 | 115.6 | L177 I184 A187 H188 Y191 I206 F207 N212 R213 I215 | L177-F210 HydrophobicContact CD1-CE1 4.22Å; L177-F210 HydrophobicContact CD1-CZ 4.46Å; I184-F210 HydrophobicContact CG2-CZ 4.09Å; A187-F210 HydrophobicContact CB-CE2 3.91Å; A187-F210 HydrophobicContact CB-CZ 4.47Å; H188-F210 VanDerWaalsContact CA-CE2 3.47Å; H188-F210 HydrophobicContact CB-CE1 3.93Å; H188-F210 HydrophobicContact CB-CE2 4Å; H188-F210 HydrophobicContact CB-CZ 3.51Å; Y191-F210 HydrophobicContact CD1-CB 3.54Å; Y191-F210 HydrophobicContact CD1-CD2 4.39Å; Y191-F210 HydrophobicContact CD1-CG 4.13Å; Y191-F210 HydrophobicContact CD2-CB 4.11Å; Y191-F210 HydrophobicContact CE1-CB 3.61Å; Y191-F210 HydrophobicContact CE2-CB 4.21Å; Y191-F210 HydrophobicContact CG-CB 3.79Å; Y191-F210 HydrophobicContact CG-CD2 4.08Å; Y191-F210 HydrophobicContact CG-CG 4.25Å; I206-F210 HydrophobicContact CG2-CD2 3.83Å; I206-F210 HydrophobicContact CG2-CE2 4.09Å; I206-F210 WeakPolarHBondContact O-CD2 3.44Å; I206-F210 PolarHBondContact O-N 2.87Å; I206-F210 VanDerWaalsContact O-N 3.12Å; F207-F210 PolarHBondContact O-N 3.15Å; F210-N212 PolarHBondContact O-N 3.09Å; F210-R213 WeakPolarHBondContact O-CB 3.36Å; F210-R213 PolarHBondContact O-N 3.32Å; F210-R213 VanDerWaalsContact O-N 3.17Å; F210-I215 HydrophobicContact CD1-CD1 3.74Å; F210-I215 HydrophobicContact CD1-CG1 4.37Å; F210-I215 HydrophobicContact CE1-CD1 4.11Å |
| 211 | H | 82.8 | Confident | 83.1 | Confident | 85 Ų | 85 | 71.4 Ų | 71.4 | 39% | 0.394 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 131.9 | -179.1 | -176.4 | 63.8 | 0 | 0 | 0 | 111 | F207 R213 | F207-H211 HydrophobicContact CD1-CB 4.04Å; F207-H211 HydrophobicContact CD2-CB 4.18Å; F207-H211 HydrophobicContact CE1-CB 3.79Å; F207-H211 AromaticContact CE1-CD2 3.8Å; F207-H211 AromaticContact CE1-CG 3.65Å; F207-H211 HydrophobicContact CE2-CB 3.93Å; F207-H211 AromaticContact CE2-CG 3.68Å; F207-H211 AromaticContact CE2-ND1 3.42Å; F207-H211 WeakPolarHBondContact CE2-ND1 3.28Å; F207-H211 HydrophobicContact CG-CB 4.23Å; F207-H211 HydrophobicContact CZ-CB 3.74Å; F207-H211 AromaticContact CZ-CD2 3.56Å; F207-H211 AromaticContact CZ-CE1 3.62Å; F207-H211 AromaticContact CZ-CG 3.24Å; F207-H211 AromaticContact CZ-ND1 3.28Å; F207-H211 VanDerWaalsContact CZ-ND1 3.28Å; F207-H211 WeakPolarHBondContact CZ-ND1 3.27Å; F207-H211 AromaticContact CZ-NE2 3.78Å; F207-H211 WeakPolarHBondContact O-CA 3.48Å; F207-H211 WeakPolarHBondContact O-CB 3.33Å; F207-H211 PolarHBondContact O-N 3.09Å; H211-R213 PolarHBondContact O-N 3.48Å; H211-R213 VanDerWaalsContact O-N 3.11Å |
| 212 | N | 74.1 | Confident | 84 | Confident | 145 Ų | 145 | 63.4 Ų | 63.4 | 78% | 0.775 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 14.5 | -174 | -62.8 | -26.6 | 0 | 0 | 0 | 115.9 | F210 | F210-N212 PolarHBondContact O-N 3.09Š|
| 213 | R | 79.2 | Confident | 84.9 | Confident | 62 Ų | 62 | 56.6 Ų | 56.6 | 23% | 0.234 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 122.9 | 175.6 | -178.5 | 177.7 | 161.8 | 163.3 | 10.5 | 110.1 | D174 E175 C176 F210 H211 | D174-R213 WeakPolarHBondContact O-CD 3.5Å; D174-R213 PolarHBondContact O-NE 3.44Å; D174-R213 PolarHBondContact O-NH1 3.07Å; D174-R213 PolarHBondContact O-NH2 3.4Å; E175-R213 PolarHBondContact O-NE 3.37Å; E175-R213 PolarHBondContact O-NH2 2.64Å; E175-R213 VanDerWaalsContact O-NH2 3.09Å; C176-R213 PolarHBondContact O-NH2 3.05Å; F210-R213 WeakPolarHBondContact O-CB 3.36Å; F210-R213 PolarHBondContact O-N 3.32Å; F210-R213 VanDerWaalsContact O-N 3.17Å; H211-R213 PolarHBondContact O-N 3.48Å; H211-R213 VanDerWaalsContact O-N 3.11Å |
| 214 | S | 77.9 | Confident | 85.6 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 48% | 0.483 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 128 | 164.3 | -169.5 | 0 | 0 | 0 | 0 | 108.1 | E175 | E175-S214 WeakPolarHBondContact CB-O 3.46Å; E175-S214 VanDerWaalsContact CG-O 3.28Å; E175-S214 WeakPolarHBondContact CG-O 3.35Å |
| 215 | I | 80.9 | Confident | 86.2 | Confident | 38 Ų | 38 | 53.4 Ų | 53.4 | 20% | 0.195 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 119.2 | -173.8 | -69.5 | 171.8 | 0 | 0 | 0 | 109.5 | L177 H188 F210 | L177-I215 HydrophobicContact CB-CG2 3.56Å; L177-I215 HydrophobicContact CD2-CG2 3.59Å; L177-I215 HydrophobicContact CG-CG2 4.21Å; H188-I215 WeakPolarHBondContact CE1-CD1 3.25Å; H188-I215 WeakPolarHBondContact ND1-CD1 3.37Å; F210-I215 HydrophobicContact CD1-CD1 3.74Å; F210-I215 HydrophobicContact CD1-CG1 4.37Å; F210-I215 HydrophobicContact CE1-CD1 4.11Å |
| 216 | K | 85.3 | Confident | 86.7 | Confident | 65 Ų | 65 | 47.2 Ų | 47.2 | 28% | 0.283 | 24% | 0.235 | S | C | . | . | B | Isolated β-bridge | trans | -113.8 | 149.9 | 178 | -68.2 | -178.1 | 177.8 | 145.8 | 0 | 111.7 | E175 L177 E221 | E175-K216 PolarHBondContact O-N 3.3Å; E175-K216 WeakPolarHBondContact OE2-CD 3.41Å; E175-K216 VanDerWaalsContact OE2-CE 3.32Å; E175-K216 WeakPolarHBondContact OE2-CE 3.4Å; E175-K216 IonicContact OE2-NZ 3.9Å; E175-K216 PolarHBondContact OE2-NZ 3.34Å; L177-K216 PolarHBondContact N-O 3.08Å; K216-E221 HydrophobicContact CB-CG 4.11Å; K216-E221 HydrophobicContact CD-CG 4.45Å |
| 217 | S | 86.5 | Confident | 87.3 | Confident | 14 Ų | 14 | 46.2 Ų | 46.2 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | trans | -81 | 156.5 | 176 | 61.8 | 0 | 0 | 0 | 0 | 111.6 | S219 E220 E221 | S217-S219 PolarHBondContact O-N 3.26Å; S217-S219 PolarHBondContact OG-OG 3.04Å; S217-E220 WeakPolarHBondContact O-CB 3.31Å; S217-E220 PolarHBondContact O-N 3.41Å; S217-E220 VanDerWaalsContact OG-CB 3.27Å; S217-E220 WeakPolarHBondContact OG-CB 3.38Å; S217-E220 PolarHBondContact OG-N 2.88Å; S217-E221 PolarHBondContact O-N 3.5Å | ||
| 218 | P | 90.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.9 | -32.1 | 176.6 | -18.4 | 30.1 | 0 | 0 | 0 | 112.5 | L177 F222 | L177-P218 WeakPolarHBondContact O-CD 3.47Å; P218-F222 VanDerWaalsContact O-CB 3.26Å; P218-F222 WeakPolarHBondContact O-CB 3.23Å; P218-F222 PolarHBondContact O-N 3.12Å |
| 219 | S | 91.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.2 | -36.5 | 175.9 | 69.5 | 0 | 0 | 0 | 0 | 113.9 | S217 F222 F223 I396 E400 | S217-S219 PolarHBondContact O-N 3.26Å; S217-S219 PolarHBondContact OG-OG 3.04Å; S219-F222 PolarHBondContact O-N 3.28Å; S219-F223 PolarHBondContact O-N 2.93Å; S219-I396 PolarHBondContact OG-O 2.9Å; S219-E400 WeakPolarHBondContact OG-CB 3.3Å; S219-E400 PolarHBondContact OG-OE2 3.08Å |
| 220 | E | 89.5 | Confident | 88.8 | Confident | 52 Ų | 52 | 37.5 Ų | 37.5 | 24% | 0.243 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.4 | -48.5 | 176.4 | -178.1 | 175.3 | 173.7 | 0 | 0 | 110.8 | S217 F222 F223 Y224 I396 | S217-E220 WeakPolarHBondContact O-CB 3.31Å; S217-E220 PolarHBondContact O-N 3.41Å; S217-E220 VanDerWaalsContact OG-CB 3.27Å; S217-E220 WeakPolarHBondContact OG-CB 3.38Å; S217-E220 PolarHBondContact OG-N 2.88Å; E220-F222 VanDerWaalsContact C-N 3.35Å; E220-F223 PolarHBondContact O-N 3.36Å; E220-Y224 HydrophobicContact CG-CD2 3.7Å; E220-Y224 HydrophobicContact CG-CE2 3.8Å; E220-Y224 VanDerWaalsContact O-CD2 3.31Å; E220-Y224 WeakPolarHBondContact O-CD2 3.17Å; E220-Y224 PolarHBondContact O-N 2.97Å; E220-I396 HydrophobicContact CB-CG2 3.69Å; E220-I396 HydrophobicContact CG-CD1 4.33Å; E220-I396 HydrophobicContact CG-CG2 4.33Å |
| 221 | E | 92.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.3 | -33.9 | 175.8 | -68.6 | -165.8 | 167.3 | 0 | 0 | 112.4 | N172 T173 C176 K216 S217 F223 N225 R226 | N172-E221 WeakPolarHBondContact CA-OE2 3.21Å; N172-E221 WeakPolarHBondContact CB-OE2 3.48Å; N172-E221 PolarHBondContact ND2-OE2 3.49Å; T173-E221 PolarHBondContact N-OE1 3.06Å; T173-E221 PolarHBondContact N-OE2 3.39Å; T173-E221 PolarHBondContact OG1-OE1 2.91Å; C176-E221 VanDerWaalsContact CB-OE2 3.25Å; C176-E221 WeakPolarHBondContact CB-OE2 3.29Å; C176-E221 PolarHBondContact N-OE1 3.07Å; K216-E221 HydrophobicContact CB-CG 4.11Å; K216-E221 HydrophobicContact CD-CG 4.45Å; S217-E221 PolarHBondContact O-N 3.5Å; E221-F223 VanDerWaalsContact C-N 3.34Å; E221-F223 PolarHBondContact O-N 3.32Å; E221-N225 WeakPolarHBondContact O-CA 3.48Å; E221-N225 WeakPolarHBondContact O-CB 3.47Å; E221-N225 PolarHBondContact O-N 2.95Å; E221-R226 PolarHBondContact O-N 3.5Å |
| 222 | F | 94.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -60.1 | -46 | 171.9 | 178.2 | -97.2 | 0 | 0 | 0 | 111.1 | M151 F152 E155 P163 W164 W171 P218 S219 E220 R226 V227 | M151-F222 HydrophobicContact CE-CZ 4.46Å; F152-F222 HydrophobicContact CD1-CD1 4.48Å; F152-F222 AromaticContact CD1-CE1 3.95Å; F152-F222 HydrophobicContact CD1-CE1 3.95Å; F152-F222 HydrophobicContact CD2-CE1 4.48Å; F152-F222 AromaticContact CE1-CD1 3.64Å; F152-F222 HydrophobicContact CE1-CD1 3.64Å; F152-F222 AromaticContact CE1-CE1 3.52Å; F152-F222 HydrophobicContact CE1-CE1 3.52Å; F152-F222 HydrophobicContact CE2-CD1 4.47Å; F152-F222 HydrophobicContact CE2-CE1 4.09Å; F152-F222 HydrophobicContact CG-CE1 4.43Å; F152-F222 AromaticContact CZ-CD1 3.64Å; F152-F222 HydrophobicContact CZ-CD1 3.64Å; F152-F222 AromaticContact CZ-CE1 3.6Å; F152-F222 HydrophobicContact CZ-CE1 3.6Å; E155-F222 HydrophobicContact CG-CZ 4.26Å; P163-F222 HydrophobicContact CB-CD2 3.81Å; P163-F222 HydrophobicContact CB-CE2 3.49Å; P163-F222 VanDerWaalsContact CB-CE2 3.49Å; P163-F222 HydrophobicContact CB-CZ 4.26Å; P163-F222 HydrophobicContact CG-CE2 4.28Å; W164-F222 HydrophobicContact CB-CB 3.84Å; W164-F222 HydrophobicContact CB-CD1 4.14Å; W164-F222 HydrophobicContact CB-CG 3.96Å; W164-F222 HydrophobicContact CD2-CD1 4.41Å; W164-F222 HydrophobicContact CD2-CE1 4.49Å; W164-F222 AromaticContact CE3-CD1 3.67Å; W164-F222 HydrophobicContact CE3-CD1 3.67Å; W164-F222 HydrophobicContact CE3-CD2 4.44Å; W164-F222 AromaticContact CE3-CE1 3.4Å; W164-F222 HydrophobicContact CE3-CE1 3.4Å; W164-F222 VanDerWaalsContact CE3-CE1 3.4Å; W164-F222 HydrophobicContact CE3-CE2 4.22Å; W164-F222 HydrophobicContact CE3-CG 4.19Å; W164-F222 AromaticContact CE3-CZ 3.71Å; W164-F222 HydrophobicContact CE3-CZ 3.71Å; W164-F222 HydrophobicContact CZ3-CD1 4.46Å; W164-F222 AromaticContact CZ3-CE1 3.76Å; W164-F222 HydrophobicContact CZ3-CE1 3.76Å; W164-F222 AromaticContact CZ3-CZ 3.89Å; W164-F222 HydrophobicContact CZ3-CZ 3.89Å; W171-F222 AromaticContact CZ2-CD2 3.83Å; W171-F222 HydrophobicContact CZ2-CD2 3.83Å; W171-F222 HydrophobicContact CZ2-CE2 4.28Å; P218-F222 VanDerWaalsContact O-CB 3.26Å; P218-F222 WeakPolarHBondContact O-CB 3.23Å; P218-F222 PolarHBondContact O-N 3.12Å; S219-F222 PolarHBondContact O-N 3.28Å; E220-F222 VanDerWaalsContact C-N 3.35Å; F222-R226 HydrophobicContact CD2-CB 4Å; F222-R226 HydrophobicContact CD2-CG 3.78Å; F222-R226 HydrophobicContact CE2-CB 4.3Å; F222-R226 HydrophobicContact CE2-CG 3.6Å; F222-R226 HydrophobicContact CZ-CG 4.39Å; F222-R226 CarbonylContact O-C 3.59Å; F222-R226 WeakPolarHBondContact O-CA 3.25Å; F222-R226 VanDerWaalsContact O-CB 3.26Å; F222-R226 WeakPolarHBondContact O-CB 3.44Å; F222-R226 PolarHBondContact O-N 3.01Å; F222-R226 VanDerWaalsContact O-N 3.15Å; F222-V227 HydrophobicContact CD1-CG2 3.82Å; F222-V227 HydrophobicContact CE1-CG2 3.39Å; F222-V227 HydrophobicContact CZ-CG2 3.87Å; F222-V227 WeakPolarHBondContact O-CG2 3.41Å; F222-V227 PolarHBondContact O-N 3.37Å |
| 223 | F | 94.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -66.5 | -52.9 | 179 | -175.5 | -116 | 0 | 0 | 0 | 112.1 | Y148 F152 S219 E220 E221 V227 L228 F395 I396 | Y148-F223 HydrophobicContact CD2-CE2 4.18Å; Y148-F223 HydrophobicContact CD2-CZ 4.35Å; Y148-F223 HydrophobicContact CE2-CZ 4.49Å; Y148-F223 HydrophobicContact CG-CE2 4.48Å; F152-F223 AromaticContact CE2-CD2 3.88Å; F152-F223 HydrophobicContact CE2-CD2 3.88Å; F152-F223 HydrophobicContact CE2-CE2 4.46Å; F152-F223 HydrophobicContact CZ-CB 4.46Å; F152-F223 HydrophobicContact CZ-CD2 4.07Å; S219-F223 PolarHBondContact O-N 2.93Å; E220-F223 PolarHBondContact O-N 3.36Å; E221-F223 VanDerWaalsContact C-N 3.34Å; E221-F223 PolarHBondContact O-N 3.32Å; F223-V227 HydrophobicContact CD2-CB 4.24Å; F223-V227 HydrophobicContact CD2-CG1 4.25Å; F223-V227 HydrophobicContact CE2-CG1 4.39Å; F223-V227 WeakPolarHBondContact O-CB 3.13Å; F223-V227 PolarHBondContact O-N 3.5Å; F223-L228 HydrophobicContact CD1-CD1 3.98Å; F223-L228 HydrophobicContact CE1-CD1 3.55Å; F223-L228 HydrophobicContact CE1-CG 4.4Å; F223-L228 HydrophobicContact CE2-CD1 4.3Å; F223-L228 HydrophobicContact CE2-CG 4.33Å; F223-L228 HydrophobicContact CZ-CD1 3.74Å; F223-L228 HydrophobicContact CZ-CD2 4.44Å; F223-L228 HydrophobicContact CZ-CG 4.23Å; F223-L228 WeakPolarHBondContact O-CG 3.42Å; F223-L228 PolarHBondContact O-N 3.11Å; F223-F395 HydrophobicContact CD2-CB 3.63Å; F223-F395 HydrophobicContact CD2-CG 4.3Å; F223-F395 HydrophobicContact CE2-CB 3.61Å; F223-F395 HydrophobicContact CE2-CD1 4.49Å; F223-F395 HydrophobicContact CE2-CD2 4.21Å; F223-F395 AromaticContact CE2-CG 3.87Å; F223-F395 HydrophobicContact CE2-CG 3.87Å; F223-F395 HydrophobicContact CG-CB 4.13Å; F223-F395 HydrophobicContact CZ-CB 4.09Å; F223-F395 HydrophobicContact CZ-CD2 4.38Å; F223-F395 HydrophobicContact CZ-CG 4.4Å; F223-I396 HydrophobicContact CB-CG1 3.95Å; F223-I396 HydrophobicContact CD1-CD1 3.95Å; F223-I396 HydrophobicContact CD1-CG1 3.97Å; F223-I396 HydrophobicContact CG-CG1 4.17Å |
| 224 | Y | 93.7 | Very high | 91.1 | Very high | 62 Ų | 62 | 28.4 Ų | 28.4 | 24% | 0.243 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -74.4 | -44.5 | -174.7 | -71 | -56.6 | 0 | 0 | 0 | 113.3 | E220 L228 E229 I230 I396 | E220-Y224 HydrophobicContact CG-CD2 3.7Å; E220-Y224 HydrophobicContact CG-CE2 3.8Å; E220-Y224 VanDerWaalsContact O-CD2 3.31Å; E220-Y224 WeakPolarHBondContact O-CD2 3.17Å; E220-Y224 PolarHBondContact O-N 2.97Å; Y224-L228 HydrophobicContact CD1-CD1 3.91Å; Y224-L228 HydrophobicContact CE1-CD1 4.32Å; Y224-E229 PolarHBondContact O-N 2.88Å; Y224-E229 VanDerWaalsContact O-N 3.15Å; Y224-I230 HydrophobicContact CD1-CD1 3.81Å; Y224-I230 HydrophobicContact CE1-CD1 4.24Å; Y224-I230 WeakPolarHBondContact O-CG2 3.37Å; Y224-I230 PolarHBondContact O-N 2.93Å; Y224-I396 HydrophobicContact CD2-CD1 4.33Å; Y224-I396 HydrophobicContact CE2-CD1 3.55Å |
| 225 | N | 95 | Very high | 91.7 | Very high | 51 Ų | 51 | 29.1 Ų | 29.1 | 27% | 0.273 | 15% | 0.147 | S | C | . | . | I | π-helix | trans | -91.9 | -34.2 | -171.4 | -55.7 | -11.4 | 0 | 0 | 0 | 112.5 | W171 E221 E229 | W171-N225 HydrophobicContact CB-CB 4.02Å; W171-N225 WeakPolarHBondContact O-CB 3.45Å; W171-N225 PolarHBondContact O-ND2 3.43Å; E221-N225 WeakPolarHBondContact O-CA 3.48Å; E221-N225 WeakPolarHBondContact O-CB 3.47Å; E221-N225 PolarHBondContact O-N 2.95Å; N225-E229 WeakPolarHBondContact O-CA 3.35Å |
| 226 | R | 94.7 | Very high | 92.2 | Very high | 39 Ų | 39 | 31.7 Ų | 31.7 | 15% | 0.147 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -98.4 | -44.7 | -176.8 | 170.5 | 62.3 | -172.2 | 101.5 | 2.4 | 114 | M151 E155 W171 E221 F222 H243 | M151-R226 HydrophobicContact CE-CG 4.47Å; E155-R226 IonicContact OE1-NH2 3.56Å; W171-R226 HydrophobicContact CB-CB 4Å; W171-R226 HydrophobicContact CD2-CB 3.59Å; W171-R226 HydrophobicContact CD2-CG 3.87Å; W171-R226 HydrophobicContact CE3-CB 4Å; W171-R226 HydrophobicContact CE3-CG 3.84Å; W171-R226 HydrophobicContact CG-CB 3.59Å; W171-R226 HydrophobicContact CG-CG 4.39Å; W171-R226 HydrophobicContact CH2-CG 4.34Å; W171-R226 HydrophobicContact CZ2-CG 4.36Å; W171-R226 HydrophobicContact CZ3-CG 4.08Å; E221-R226 PolarHBondContact O-N 3.5Å; F222-R226 HydrophobicContact CD2-CB 4Å; F222-R226 HydrophobicContact CD2-CG 3.78Å; F222-R226 HydrophobicContact CE2-CB 4.3Å; F222-R226 HydrophobicContact CE2-CG 3.6Å; F222-R226 HydrophobicContact CZ-CG 4.39Å; F222-R226 CarbonylContact O-C 3.59Å; F222-R226 WeakPolarHBondContact O-CA 3.25Å; F222-R226 VanDerWaalsContact O-CB 3.26Å; F222-R226 WeakPolarHBondContact O-CB 3.44Å; F222-R226 PolarHBondContact O-N 3.01Å; F222-R226 VanDerWaalsContact O-N 3.15Å; R226-H243 PolarHBondContact NH1-CE1 3.36Å; R226-H243 PolarHBondContact NH1-ND1 3.4Å; R226-H243 VanDerWaalsContact NH1-ND1 3.16Å; R226-H243 PolarHBondContact NH1-NE2 3.07Å; R226-H243 PolarHBondContact O-CE1 3.04Å; R226-H243 VanDerWaalsContact O-CE1 3.23Å; R226-H243 PolarHBondContact O-NE2 3.04Å; R226-H243 VanDerWaalsContact O-NE2 3.16Å |
| 227 | V | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -77 | -53.2 | -179.7 | 175 | 0 | 0 | 0 | 0 | 109.9 | Y148 M151 F152 F222 F223 H243 L244 | Y148-V227 HydrophobicContact CD1-CG1 4.24Å; M151-V227 HydrophobicContact CE-CB 4.35Å; M151-V227 HydrophobicContact CE-CG2 3.82Å; M151-V227 HydrophobicContact SD-CB 4.08Å; M151-V227 HydrophobicContact SD-CG1 3.8Å; M151-V227 HydrophobicContact SD-CG2 3.83Å; F152-V227 HydrophobicContact CD2-CG2 4.49Å; F152-V227 HydrophobicContact CE2-CG1 4.49Å; F152-V227 HydrophobicContact CE2-CG2 3.82Å; F152-V227 HydrophobicContact CZ-CG2 4.21Å; F222-V227 HydrophobicContact CD1-CG2 3.82Å; F222-V227 HydrophobicContact CE1-CG2 3.39Å; F222-V227 HydrophobicContact CZ-CG2 3.87Å; F222-V227 WeakPolarHBondContact O-CG2 3.41Å; F222-V227 PolarHBondContact O-N 3.37Å; F223-V227 HydrophobicContact CD2-CB 4.24Å; F223-V227 HydrophobicContact CD2-CG1 4.25Å; F223-V227 HydrophobicContact CE2-CG1 4.39Å; F223-V227 WeakPolarHBondContact O-CB 3.13Å; F223-V227 PolarHBondContact O-N 3.5Å; V227-H243 PolarHBondContact O-NE2 2.97Å; V227-L244 HydrophobicContact CG1-CD2 4.22Å; V227-L244 VanDerWaalsContact O-CD1 3.26Å; V227-L244 WeakPolarHBondContact O-CD1 3.25Å |
| 228 | L | 94.8 | Very high | 92.6 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -88.7 | -23.1 | -175.6 | -62.4 | 177 | 0 | 0 | 0 | 114 | Y148 F223 Y224 I230 V241 I476 | Y148-L228 HydrophobicContact CD1-CD2 4.46Å; Y148-L228 HydrophobicContact CE1-CD2 3.7Å; Y148-L228 HydrophobicContact CE2-CD2 4.04Å; Y148-L228 VanDerWaalsContact CZ-CD2 3.43Å; Y148-L228 WeakPolarHBondContact OH-CD2 3.03Å; F223-L228 HydrophobicContact CD1-CD1 3.98Å; F223-L228 HydrophobicContact CE1-CD1 3.55Å; F223-L228 HydrophobicContact CE1-CG 4.4Å; F223-L228 HydrophobicContact CE2-CD1 4.3Å; F223-L228 HydrophobicContact CE2-CG 4.33Å; F223-L228 HydrophobicContact CZ-CD1 3.74Å; F223-L228 HydrophobicContact CZ-CD2 4.44Å; F223-L228 HydrophobicContact CZ-CG 4.23Å; F223-L228 WeakPolarHBondContact O-CG 3.42Å; F223-L228 PolarHBondContact O-N 3.11Å; Y224-L228 HydrophobicContact CD1-CD1 3.91Å; Y224-L228 HydrophobicContact CE1-CD1 4.32Å; L228-I230 HydrophobicContact CB-CB 4.27Å; L228-I230 PolarHBondContact O-N 3.26Å; L228-V241 WeakPolarHBondContact O-CG2 3.47Å; L228-I476 HydrophobicContact CD1-CB 4.14Å; L228-I476 HydrophobicContact CD1-CG1 4.12Å; L228-I476 HydrophobicContact CD1-CG2 4.26Å |
| 229 | E | 95.5 | Very high | 92.7 | Very high | 49 Ų | 49 | 36.8 Ų | 36.8 | 23% | 0.229 | 20% | 0.197 | C | C | . | . | trans | 45.2 | 46.1 | -166.1 | -64.9 | -177.1 | -153.1 | 0 | 0 | 111.4 | Y224 N225 S231 V241 H243 K473 | Y224-E229 PolarHBondContact O-N 2.88Å; Y224-E229 VanDerWaalsContact O-N 3.15Å; N225-E229 WeakPolarHBondContact O-CA 3.35Å; E229-S231 PolarHBondContact O-N 3.34Å; E229-V241 HydrophobicContact CB-CG2 4.41Å; E229-V241 HydrophobicContact CG-CG1 4.39Å; E229-H243 IonicContact OE1-CE1 3.31Å; E229-H243 PolarHBondContact OE1-CE1 3.29Å; E229-H243 IonicContact OE1-ND1 2.88Å; E229-K473 HydrophobicContact CB-CD 4.27Å; E229-K473 HydrophobicContact CB-CG 4.25Å; E229-K473 VanDerWaalsContact O-CB 3.23Å; E229-K473 WeakPolarHBondContact O-CB 3.43Å; E229-K473 WeakPolarHBondContact O-CD 3.33Å; E229-K473 VanDerWaalsContact O-CG 3.31Å; E229-K473 WeakPolarHBondContact O-CG 3.32Å; E229-K473 WeakPolarHBondContact OE2-CE 3.49Å; E229-K473 IonicContact OE2-NZ 3.64Å; E229-K473 PolarHBondContact OE2-NZ 3.39Å | ||
| 230 | I | 92.9 | Very high | 92.9 | Very high | 44 Ų | 44 | 40.6 Ų | 40.6 | 23% | 0.226 | 22% | 0.216 | C | C | . | . | trans | -55.4 | 134.9 | -163.4 | -162.3 | 175.5 | 0 | 0 | 0 | 111.7 | Y224 L228 K473 I476 Y477 | Y224-I230 HydrophobicContact CD1-CD1 3.81Å; Y224-I230 HydrophobicContact CE1-CD1 4.24Å; Y224-I230 WeakPolarHBondContact O-CG2 3.37Å; Y224-I230 PolarHBondContact O-N 2.93Å; L228-I230 HydrophobicContact CB-CB 4.27Å; L228-I230 PolarHBondContact O-N 3.26Å; I230-K473 WeakPolarHBondContact CA-O 3.37Å; I230-I476 HydrophobicContact CD1-CG2 3.6Å; I230-I476 HydrophobicContact CG1-CG2 3.84Å; I230-Y477 HydrophobicContact CD1-CE2 4.07Å; I230-Y477 HydrophobicContact CG1-CE2 3.87Å | ||
| 231 | S | 93.6 | Very high | 93.3 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | trans | -80.3 | 176.5 | 171.5 | 67.5 | 0 | 0 | 0 | 0 | 111.4 | E229 G233 H236 K473 G474 Y477 | E229-S231 PolarHBondContact O-N 3.34Å; S231-G233 PolarHBondContact O-N 3.11Å; S231-G233 PolarHBondContact OG-O 2.97Å; S231-G233 VanDerWaalsContact OG-O 3.05Å; S231-H236 WeakPolarHBondContact CB-O 3.48Å; S231-H236 PolarHBondContact OG-O 3.17Å; S231-K473 PolarHBondContact N-O 2.95Å; S231-K473 VanDerWaalsContact N-O 3.14Å; S231-G474 VanDerWaalsContact OG-CA 3.25Å; S231-G474 WeakPolarHBondContact OG-CA 3.33Å; S231-G474 PolarHBondContact OG-N 3.4Å; S231-Y477 WeakPolarHBondContact O-CE2 3.32Å; S231-Y477 PolarHBondContact O-OH 3.38Å; S231-Y477 VanDerWaalsContact O-OH 3.06Å | ||
| 232 | S | 89.9 | Confident | 93.4 | Very high | 84 Ų | 84 | 43.1 Ų | 43.1 | 59% | 0.587 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -73.2 | -12.6 | 178.9 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | H236 Y560 | S232-H236 PolarHBondContact OG-CD2 2.92Å; S232-Y560 WeakPolarHBondContact O-CD2 3.5Å; S232-Y560 WeakPolarHBondContact O-CE2 3.47Å |
| 233 | G | 91 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 172.3 | 175.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | S231 E235 H236 Y477 Y560 | S231-G233 PolarHBondContact O-N 3.11Å; S231-G233 PolarHBondContact OG-O 2.97Å; S231-G233 VanDerWaalsContact OG-O 3.05Å; G233-E235 PolarHBondContact O-N 3.35Å; G233-H236 CarbonylContact O-C 3.53Å; G233-H236 PolarHBondContact O-N 3.21Å; G233-Y477 VanDerWaalsContact CA-CE2 3.47Å; G233-Y560 VanDerWaalsContact CA-CE2 3.44Å; G233-Y560 WeakPolarHBondContact CA-OH 3.45Å |
| 234 | I | 91.7 | Very high | 93.5 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -19.6 | 178.8 | -157.4 | 174.1 | 0 | 0 | 0 | 113.1 | H236 M237 Y477 L481 Y560 Y562 P563 W565 A566 | I234-H236 PolarHBondContact O-N 3.37Å; I234-M237 HydrophobicContact CG1-SD 4.14Å; I234-Y477 HydrophobicContact CB-CG 4.5Å; I234-L481 HydrophobicContact CD1-CD2 3.76Å; I234-Y560 WeakPolarHBondContact CG2-OH 3.33Å; I234-Y560 PolarHBondContact N-OH 3.46Å; I234-Y562 HydrophobicContact CB-CE1 4.5Å; I234-Y562 HydrophobicContact CD1-CD1 4.48Å; I234-Y562 HydrophobicContact CD1-CE1 4.24Å; I234-Y562 HydrophobicContact CG2-CD1 4.29Å; I234-P563 HydrophobicContact CG2-CG 3.87Å; I234-W565 HydrophobicContact CG1-CH2 4.33Å; I234-W565 HydrophobicContact CG2-CH2 3.85Å; I234-W565 HydrophobicContact CG2-CZ2 3.78Å; I234-A566 HydrophobicContact CD1-CB 4.06Å; I234-A566 HydrophobicContact CG2-CB 3.73Å |
| 235 | E | 91.9 | Very high | 93.7 | Very high | 85 Ų | 85 | 43.7 Ų | 43.7 | 40% | 0.397 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.7 | 171.8 | -57 | 80.6 | -180 | 0 | 0 | 111.8 | G233 Y560 P563 W565 | G233-E235 PolarHBondContact O-N 3.35Å; E235-Y560 PolarHBondContact OE1-OH 2.94Å; E235-Y560 PolarHBondContact OE2-OH 3.31Å; E235-P563 HydrophobicContact CG-CG 4.37Å; E235-P563 WeakPolarHBondContact OE1-CB 3.46Å; E235-P563 WeakPolarHBondContact OE1-CD 3.4Å; E235-P563 WeakPolarHBondContact OE1-CG 3.33Å; E235-W565 HydrophobicContact CG-CZ2 4.06Å |
| 236 | H | 91.4 | Very high | 93.9 | Very high | 92 Ų | 92 | 44.8 Ų | 44.8 | 43% | 0.426 | 25% | 0.253 | S | S | . | . | trans | -111.3 | 69.2 | -177.1 | -60.3 | -68.9 | 0 | 0 | 0 | 109.1 | S231 S232 G233 I234 D238 | S231-H236 WeakPolarHBondContact CB-O 3.48Å; S231-H236 PolarHBondContact OG-O 3.17Å; S232-H236 PolarHBondContact OG-CD2 2.92Å; G233-H236 CarbonylContact O-C 3.53Å; G233-H236 PolarHBondContact O-N 3.21Å; I234-H236 PolarHBondContact O-N 3.37Å; H236-D238 PolarHBondContact O-N 3.07Å | ||
| 237 | M | 89.4 | Confident | 94 | Very high | 50 Ų | 50 | 44 Ų | 44 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | trans | -61.2 | -30.4 | 176.2 | -71 | -64.7 | -77.1 | 0 | 0 | 111.8 | I234 F469 T472 K473 G474 L478 | I234-M237 HydrophobicContact CG1-SD 4.14Å; M237-F469 VanDerWaalsContact CE-O 3.31Å; M237-F469 WeakPolarHBondContact CE-O 3.31Å; M237-T472 VanDerWaalsContact CE-OG1 3.25Å; M237-T472 WeakPolarHBondContact CE-OG1 3.5Å; M237-T472 WeakPolarHBondContact O-CB 3.48Å; M237-T472 PolarHBondContact O-OG1 3.11Å; M237-T472 VanDerWaalsContact O-OG1 3.09Å; M237-K473 PolarHBondContact O-N 2.95Å; M237-K473 VanDerWaalsContact O-N 3.15Å; M237-G474 PolarHBondContact O-N 2.98Å; M237-L478 HydrophobicContact CE-CB 4.15Å; M237-L478 HydrophobicContact CE-CD2 3.92Å | ||
| 238 | D | 89.7 | Confident | 94.1 | Very high | 95 Ų | 95 | 44 Ų | 44 | 51% | 0.508 | 25% | 0.253 | S | S | . | . | trans | 46.5 | -161.5 | -177.4 | -55.9 | -31.2 | 0 | 0 | 0 | 113.7 | H236 K473 | H236-D238 PolarHBondContact O-N 3.07Å; D238-K473 HydrophobicContact CB-CB 4.02Å; D238-K473 HydrophobicContact CB-CD 3.91Å; D238-K473 HydrophobicContact CB-CG 4.12Å | ||
| 239 | G | 92.4 | Very high | 94.3 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 44% | 0.443 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -72.2 | 169.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | T472 K473 | G239-T472 WeakPolarHBondContact O-CA 3.31Å; G239-K473 PolarHBondContact O-N 3.41Å |
| 240 | L | 96.5 | Very high | 94.4 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 41% | 0.414 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -66.2 | 137.1 | 171.3 | -68.6 | 170.1 | 0 | 0 | 0 | 110.7 | T242 V245 L468 T472 | L240-T242 PolarHBondContact O-N 3.35Å; L240-T242 VanDerWaalsContact O-N 3.09Å; L240-V245 HydrophobicContact CB-CG2 4.2Å; L240-V245 HydrophobicContact CD1-CG2 4.45Å; L240-L468 HydrophobicContact CD2-CB 4.02Å; L240-L468 VanDerWaalsContact CD2-O 3.23Å; L240-L468 WeakPolarHBondContact CD2-O 3.48Å; L240-T472 HydrophobicContact CD2-CG2 3.92Å |
| 241 | V | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -75 | 99.2 | 171.9 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | L228 E229 H243 L244 V245 V471 K473 | L228-V241 WeakPolarHBondContact O-CG2 3.47Å; E229-V241 HydrophobicContact CB-CG2 4.41Å; E229-V241 HydrophobicContact CG-CG1 4.39Å; V241-H243 VanDerWaalsContact C-N 3.32Å; V241-H243 WeakPolarHBondContact CG1-CE1 3.47Å; V241-H243 VanDerWaalsContact CG1-NE2 3.3Å; V241-H243 WeakPolarHBondContact CG1-NE2 3.37Å; V241-H243 PolarHBondContact O-N 3.35Å; V241-L244 HydrophobicContact CB-CB 4.25Å; V241-L244 HydrophobicContact CB-CD1 4Å; V241-L244 HydrophobicContact CB-CG 4.37Å; V241-L244 HydrophobicContact CG1-CB 4.18Å; V241-L244 HydrophobicContact CG1-CD1 3.8Å; V241-L244 HydrophobicContact CG1-CG 3.91Å; V241-L244 PolarHBondContact O-N 2.96Å; V241-V245 PolarHBondContact O-N 2.8Å; V241-V471 HydrophobicContact CB-CG1 4.45Å; V241-V471 PolarHBondContact N-O 2.93Å; V241-K473 HydrophobicContact CG2-CG 4.09Å | ||
| 242 | T | 96 | Very high | 94.8 | Very high | 108 Ų | 108 | 45.7 Ų | 45.7 | 66% | 0.663 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -33.9 | -161.7 | 60 | 0 | 0 | 0 | 0 | 114.5 | L240 P246 | L240-T242 PolarHBondContact O-N 3.35Å; L240-T242 VanDerWaalsContact O-N 3.09Å; T242-P246 WeakPolarHBondContact O-CD 3.27Å |
| 243 | H | 95.3 | Very high | 95.2 | Very high | 37 Ų | 37 | 45.7 Ų | 45.7 | 17% | 0.171 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -22.1 | 177 | 56.1 | -91.5 | 0 | 0 | 0 | 113.9 | M151 R226 V227 E229 V241 P246 C247 | M151-H243 PolarHBondContact SD-CD2 3.44Å; R226-H243 PolarHBondContact NH1-CE1 3.36Å; R226-H243 PolarHBondContact NH1-ND1 3.4Å; R226-H243 VanDerWaalsContact NH1-ND1 3.16Å; R226-H243 PolarHBondContact NH1-NE2 3.07Å; R226-H243 PolarHBondContact O-CE1 3.04Å; R226-H243 VanDerWaalsContact O-CE1 3.23Å; R226-H243 PolarHBondContact O-NE2 3.04Å; R226-H243 VanDerWaalsContact O-NE2 3.16Å; V227-H243 PolarHBondContact O-NE2 2.97Å; E229-H243 IonicContact OE1-CE1 3.31Å; E229-H243 PolarHBondContact OE1-CE1 3.29Å; E229-H243 IonicContact OE1-ND1 2.88Å; V241-H243 VanDerWaalsContact C-N 3.32Å; V241-H243 WeakPolarHBondContact CG1-CE1 3.47Å; V241-H243 VanDerWaalsContact CG1-NE2 3.3Å; V241-H243 WeakPolarHBondContact CG1-NE2 3.37Å; V241-H243 PolarHBondContact O-N 3.35Å; H243-P246 WeakPolarHBondContact O-CD 3.44Å; H243-P246 WeakPolarHBondContact O-CG 3.49Å; H243-C247 PolarHBondContact O-SG 3.46Å |
| 244 | L | 96.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -80.5 | -26.7 | 176.5 | -77.3 | 179.6 | 0 | 0 | 0 | 112.5 | Y148 M151 V227 V241 C247 L248 V471 | Y148-L244 HydrophobicContact CD1-CD1 4.19Å; Y148-L244 HydrophobicContact CD1-CD2 3.73Å; Y148-L244 HydrophobicContact CE1-CD1 3.67Å; Y148-L244 HydrophobicContact CE1-CD2 4.06Å; M151-L244 HydrophobicContact SD-CD2 4.02Å; V227-L244 HydrophobicContact CG1-CD2 4.22Å; V227-L244 VanDerWaalsContact O-CD1 3.26Å; V227-L244 WeakPolarHBondContact O-CD1 3.25Å; V241-L244 HydrophobicContact CB-CB 4.25Å; V241-L244 HydrophobicContact CB-CD1 4Å; V241-L244 HydrophobicContact CB-CG 4.37Å; V241-L244 HydrophobicContact CG1-CB 4.18Å; V241-L244 HydrophobicContact CG1-CD1 3.8Å; V241-L244 HydrophobicContact CG1-CG 3.91Å; V241-L244 PolarHBondContact O-N 2.96Å; L244-C247 WeakPolarHBondContact O-CB 3.49Å; L244-C247 PolarHBondContact O-N 3.33Å; L244-C247 VanDerWaalsContact O-N 3.14Å; L244-L248 PolarHBondContact O-N 2.85Å; L244-V471 HydrophobicContact CB-CG1 3.34Å; L244-V471 HydrophobicContact CD1-CG1 4.34Å |
| 245 | V | 98 | Very high | 95.6 | Very high | 36 Ų | 36 | 48.6 Ų | 48.6 | 22% | 0.218 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.3 | -51.4 | 176.2 | 177.4 | 0 | 0 | 0 | 0 | 112.9 | L240 V241 C247 L248 F249 F464 L468 V471 | L240-V245 HydrophobicContact CB-CG2 4.2Å; L240-V245 HydrophobicContact CD1-CG2 4.45Å; V241-V245 PolarHBondContact O-N 2.8Å; V245-C247 VanDerWaalsContact C-N 3.3Å; V245-C247 PolarHBondContact O-N 3.19Å; V245-L248 PolarHBondContact O-N 3.45Å; V245-F249 WeakPolarHBondContact O-CB 3.47Å; V245-F249 PolarHBondContact O-N 3.26Å; V245-F464 HydrophobicContact CG1-CZ 4.49Å; V245-L468 HydrophobicContact CG1-CD2 4.17Å; V245-L468 HydrophobicContact CG2-CD2 4.33Å; V245-V471 HydrophobicContact CG2-CG1 4.05Å |
| 246 | P | 97.8 | Very high | 95.8 | Very high | 75 Ų | 75 | 46.3 Ų | 46.3 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.5 | -30.2 | 175.7 | 25.9 | -34.3 | 0 | 0 | 0 | 112.8 | T242 H243 F249 A250 | T242-P246 WeakPolarHBondContact O-CD 3.27Å; H243-P246 WeakPolarHBondContact O-CD 3.44Å; H243-P246 WeakPolarHBondContact O-CG 3.49Å; P246-F249 PolarHBondContact O-N 2.63Å; P246-A250 WeakPolarHBondContact O-CB 3.48Å; P246-A250 PolarHBondContact O-N 3.36Å |
| 247 | C | 97.6 | Very high | 96 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 174.4 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | A147 L150 H243 L244 V245 F249 A250 S251 | A147-C247 HydrophobicContact CB-CB 3.9Å; L150-C247 WeakPolarHBondContact CD1-O 3.45Å; H243-C247 PolarHBondContact O-SG 3.46Å; L244-C247 WeakPolarHBondContact O-CB 3.49Å; L244-C247 PolarHBondContact O-N 3.33Å; L244-C247 VanDerWaalsContact O-N 3.14Å; V245-C247 VanDerWaalsContact C-N 3.3Å; V245-C247 PolarHBondContact O-N 3.19Å; C247-F249 VanDerWaalsContact C-N 3.35Å; C247-A250 PolarHBondContact O-N 3.4Å; C247-S251 PolarHBondContact O-N 3.03Å |
| 248 | L | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 173.9 | 179.3 | 64.7 | 0 | 0 | 0 | 111.1 | N143 V144 A147 L244 V245 A250 S251 W252 F464 L468 V471 | N143-L248 HydrophobicContact CB-CD1 4.31Å; V144-L248 HydrophobicContact CG2-CD1 3.88Å; A147-L248 HydrophobicContact CB-CB 4.18Å; L244-L248 PolarHBondContact O-N 2.85Å; V245-L248 PolarHBondContact O-N 3.45Å; L248-A250 VanDerWaalsContact C-N 3.32Å; L248-A250 PolarHBondContact O-N 2.83Å; L248-S251 PolarHBondContact O-N 3.24Å; L248-S251 PolarHBondContact O-OG 3.49Å; L248-W252 VanDerWaalsContact O-CD1 3.24Å; L248-W252 PolarHBondContact O-N 3.49Å; L248-W252 VanDerWaalsContact O-N 3.14Å; L248-F464 HydrophobicContact CD2-CD2 4.15Å; L248-F464 HydrophobicContact CD2-CE2 4.28Å; L248-F464 HydrophobicContact CG-CD2 4.01Å; L248-F464 HydrophobicContact CG-CE2 4.22Å; L248-L468 HydrophobicContact CD2-CD2 4.31Å; L248-V471 HydrophobicContact CB-CG2 4.34Å; L248-V471 HydrophobicContact CD2-CG2 3.69Å; L248-V471 HydrophobicContact CG-CG2 4.49Å |
| 249 | F | 98.3 | Very high | 96.6 | Very high | 105 Ų | 105 | 37.7 Ų | 37.7 | 46% | 0.461 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 174.7 | -176.5 | -109.9 | 0 | 0 | 0 | 111.2 | V245 P246 C247 W252 L253 F464 | V245-F249 WeakPolarHBondContact O-CB 3.47Å; V245-F249 PolarHBondContact O-N 3.26Å; P246-F249 PolarHBondContact O-N 2.63Å; C247-F249 VanDerWaalsContact C-N 3.35Å; F249-W252 PolarHBondContact O-N 3.33Å; F249-L253 HydrophobicContact CD1-CD1 3.96Å; F249-L253 HydrophobicContact CD1-CG 4.3Å; F249-L253 HydrophobicContact CE1-CD1 3.57Å; F249-L253 HydrophobicContact CE1-CD2 4.36Å; F249-L253 HydrophobicContact CE1-CG 4.02Å; F249-L253 HydrophobicContact CZ-CD1 4.16Å; F249-L253 HydrophobicContact CZ-CD2 4.12Å; F249-L253 HydrophobicContact CZ-CG 4.21Å; F249-L253 WeakPolarHBondContact O-CG 3.38Å; F249-L253 PolarHBondContact O-N 2.71Å; F249-F464 HydrophobicContact CB-CD2 4.4Å; F249-F464 HydrophobicContact CB-CE2 3.72Å; F249-F464 HydrophobicContact CB-CZ 4.19Å; F249-F464 HydrophobicContact CD2-CD2 4.34Å; F249-F464 HydrophobicContact CD2-CE1 4.37Å; F249-F464 HydrophobicContact CD2-CE2 4.04Å; F249-F464 HydrophobicContact CD2-CZ 4.04Å; F249-F464 HydrophobicContact CG-CE2 4.39Å |
| 250 | A | 98 | Very high | 96.6 | Very high | 35 Ų | 35 | 40 Ų | 40 | 29% | 0.289 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | L150 P246 C247 L248 W252 L253 I254 | L150-A250 HydrophobicContact CD1-CB 3.97Å; P246-A250 WeakPolarHBondContact O-CB 3.48Å; P246-A250 PolarHBondContact O-N 3.36Å; C247-A250 PolarHBondContact O-N 3.4Å; L248-A250 VanDerWaalsContact C-N 3.32Å; L248-A250 PolarHBondContact O-N 2.83Å; A250-W252 VanDerWaalsContact C-N 3.33Å; A250-W252 PolarHBondContact O-N 3.01Å; A250-L253 WeakPolarHBondContact O-CB 3.41Å; A250-L253 PolarHBondContact O-N 2.73Å; A250-I254 VanDerWaalsContact O-CG1 3.3Å; A250-I254 WeakPolarHBondContact O-CG1 3.15Å; A250-I254 PolarHBondContact O-N 3.21Å |
| 251 | S | 97.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -38.6 | 177.1 | 70.2 | 0 | 0 | 0 | 0 | 112.3 | N143 C247 L248 I254 T255 | N143-S251 PolarHBondContact O-OG 3.21Å; N143-S251 PolarHBondContact OD1-OG 3.5Å; C247-S251 PolarHBondContact O-N 3.03Å; L248-S251 PolarHBondContact O-N 3.24Å; L248-S251 PolarHBondContact O-OG 3.49Å; S251-I254 PolarHBondContact O-N 2.89Å; S251-T255 WeakPolarHBondContact O-CB 3.27Å; S251-T255 PolarHBondContact O-N 3.18Å; S251-T255 PolarHBondContact O-OG1 3.29Å |
| 252 | W | 97.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 1% | 0.011 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.4 | -37.6 | 172.2 | -78.6 | 108.1 | 0 | 0 | 0 | 113.3 | N143 L248 F249 A250 T255 M256 V431 C460 M463 F464 | N143-W252 HydrophobicContact CB-CZ2 3.94Å; N143-W252 VanDerWaalsContact ND2-CE2 3.35Å; N143-W252 WeakPolarHBondContact ND2-CH2 3.42Å; N143-W252 WeakPolarHBondContact ND2-CZ2 3.5Å; N143-W252 WeakPolarHBondContact ND2-CZ3 3.15Å; L248-W252 VanDerWaalsContact O-CD1 3.24Å; L248-W252 PolarHBondContact O-N 3.49Å; L248-W252 VanDerWaalsContact O-N 3.14Å; F249-W252 PolarHBondContact O-N 3.33Å; A250-W252 VanDerWaalsContact C-N 3.33Å; A250-W252 PolarHBondContact O-N 3.01Å; W252-T255 HydrophobicContact CE3-CG2 4.46Å; W252-T255 HydrophobicContact CZ3-CG2 4.44Å; W252-T255 PolarHBondContact O-N 3.47Å; W252-M256 WeakPolarHBondContact O-CB 3.35Å; W252-M256 WeakPolarHBondContact O-CG 3.26Å; W252-M256 PolarHBondContact O-N 2.5Å; W252-V431 HydrophobicContact CH2-CG2 4.39Å; W252-V431 HydrophobicContact CZ3-CG2 3.98Å; W252-C460 HydrophobicContact CE3-CB 3.72Å; W252-C460 HydrophobicContact CZ3-CB 4.18Å; W252-M463 HydrophobicContact CH2-CB 3.35Å; W252-M463 HydrophobicContact CH2-CE 3.83Å; W252-M463 HydrophobicContact CH2-CG 4.09Å; W252-M463 HydrophobicContact CH2-SD 3.59Å; W252-M463 VanDerWaalsContact CH2-SD 3.59Å; W252-M463 HydrophobicContact CZ2-CB 3.34Å; W252-M463 HydrophobicContact CZ2-CG 4.47Å; W252-M463 HydrophobicContact CZ2-SD 4.48Å; W252-M463 HydrophobicContact CZ3-CB 4.07Å; W252-M463 HydrophobicContact CZ3-SD 4.07Å; W252-F464 AromaticContact CD1-CD2 3.83Å; W252-F464 HydrophobicContact CG-CB 4.06Å |
| 253 | L | 97.1 | Very high | 96 | Very high | 85 Ų | 85 | 39.3 Ų | 39.3 | 45% | 0.445 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 172.9 | -72.1 | -175.8 | 0 | 0 | 0 | 111.8 | F249 A250 M256 G257 | F249-L253 HydrophobicContact CD1-CD1 3.96Å; F249-L253 HydrophobicContact CD1-CG 4.3Å; F249-L253 HydrophobicContact CE1-CD1 3.57Å; F249-L253 HydrophobicContact CE1-CD2 4.36Å; F249-L253 HydrophobicContact CE1-CG 4.02Å; F249-L253 HydrophobicContact CZ-CD1 4.16Å; F249-L253 HydrophobicContact CZ-CD2 4.12Å; F249-L253 HydrophobicContact CZ-CG 4.21Å; F249-L253 WeakPolarHBondContact O-CG 3.38Å; F249-L253 PolarHBondContact O-N 2.71Å; A250-L253 WeakPolarHBondContact O-CB 3.41Å; A250-L253 PolarHBondContact O-N 2.73Å; L253-M256 HydrophobicContact CD2-CE 3.69Å; L253-M256 PolarHBondContact O-N 2.65Å; L253-G257 PolarHBondContact O-N 3.25Å |
| 254 | I | 96.2 | Very high | 95.8 | Very high | 67 Ų | 67 | 43.2 Ų | 43.2 | 34% | 0.344 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.9 | -50.6 | 175.8 | -68.9 | 165.2 | 0 | 0 | 0 | 109.7 | L150 A250 S251 M256 G257 C258 V424 | L150-I254 HydrophobicContact CD1-CD1 4.28Å; L150-I254 HydrophobicContact CD2-CD1 4.05Å; A250-I254 VanDerWaalsContact O-CG1 3.3Å; A250-I254 WeakPolarHBondContact O-CG1 3.15Å; A250-I254 PolarHBondContact O-N 3.21Å; S251-I254 PolarHBondContact O-N 2.89Å; I254-M256 VanDerWaalsContact C-N 3.34Å; I254-M256 PolarHBondContact O-N 3.17Å; I254-G257 PolarHBondContact O-N 2.87Å; I254-G257 VanDerWaalsContact O-N 3.12Å; I254-C258 PolarHBondContact O-N 3.38Å; I254-C258 PolarHBondContact O-SG 3.13Å; I254-V424 HydrophobicContact CG2-CG1 4.31Å; I254-V424 HydrophobicContact CG2-CG2 3.89Å |
| 255 | T | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56 | -47.1 | 177.8 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | N143 S251 W252 C258 L259 V427 V431 | N143-T255 PolarHBondContact OD1-OG1 2.81Å; S251-T255 WeakPolarHBondContact O-CB 3.27Å; S251-T255 PolarHBondContact O-N 3.18Å; S251-T255 PolarHBondContact O-OG1 3.29Å; W252-T255 HydrophobicContact CE3-CG2 4.46Å; W252-T255 HydrophobicContact CZ3-CG2 4.44Å; W252-T255 PolarHBondContact O-N 3.47Å; T255-C258 PolarHBondContact O-N 2.97Å; T255-L259 HydrophobicContact CG2-CD1 4.22Å; T255-L259 WeakPolarHBondContact O-CG 3.33Å; T255-L259 PolarHBondContact O-N 3.45Å; T255-V427 HydrophobicContact CG2-CG1 3.73Å; T255-V431 HydrophobicContact CG2-CB 4.44Å; T255-V431 HydrophobicContact CG2-CG2 4.06Å |
| 256 | M | 96 | Very high | 95.4 | Very high | 36 Ų | 36 | 42.6 Ų | 42.6 | 18% | 0.177 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 176.8 | -76.5 | -170.5 | -71.2 | 0 | 0 | 112.3 | W252 L253 I254 C258 L259 I260 L456 C460 | W252-M256 WeakPolarHBondContact O-CB 3.35Å; W252-M256 WeakPolarHBondContact O-CG 3.26Å; W252-M256 PolarHBondContact O-N 2.5Å; L253-M256 HydrophobicContact CD2-CE 3.69Å; L253-M256 PolarHBondContact O-N 2.65Å; I254-M256 VanDerWaalsContact C-N 3.34Å; I254-M256 PolarHBondContact O-N 3.17Å; M256-C258 PolarHBondContact O-N 2.99Å; M256-L259 CarbonylContact O-C 3.12Å; M256-L259 PolarHBondContact O-N 2.95Å; M256-I260 PolarHBondContact O-N 3.29Å; M256-L456 HydrophobicContact CG-CD1 4.48Å; M256-L456 HydrophobicContact CG-CG 4.31Å; M256-C460 HydrophobicContact CE-CB 4.39Å; M256-C460 HydrophobicContact CG-CB 3.54Å; M256-C460 WeakPolarHBondContact CG-SG 3.39Å; M256-C460 HydrophobicContact SD-CB 3.57Å; M256-C460 VanDerWaalsContact SD-CB 3.57Å |
| 257 | G | 95.5 | Very high | 95.2 | Very high | 42 Ų | 42 | 39 Ų | 39 | 43% | 0.433 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.5 | -45.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L253 I254 L259 I260 | L253-G257 PolarHBondContact O-N 3.25Å; I254-G257 PolarHBondContact O-N 2.87Å; I254-G257 VanDerWaalsContact O-N 3.12Å; G257-L259 VanDerWaalsContact C-N 3.26Å; G257-L259 PolarHBondContact O-N 2.91Å; G257-I260 WeakPolarHBondContact O-CG2 3.45Å; G257-I260 PolarHBondContact O-N 3.29Å |
| 258 | C | 95.2 | Very high | 95.1 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 10% | 0.095 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.5 | -34 | 176.9 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | I254 T255 M256 S265 S266 V269 | I254-C258 PolarHBondContact O-N 3.38Å; I254-C258 PolarHBondContact O-SG 3.13Å; T255-C258 PolarHBondContact O-N 2.97Å; M256-C258 PolarHBondContact O-N 2.99Å; C258-S265 CarbonylContact O-C 3.56Å; C258-S265 WeakPolarHBondContact O-CB 3.44Å; C258-S265 PolarHBondContact O-OG 3.12Å; C258-S266 PolarHBondContact O-N 3.33Å; C258-V269 HydrophobicContact CB-CG2 4.46Å |
| 259 | L | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -98.8 | 3.1 | -173.9 | -66.7 | 180 | 0 | 0 | 0 | 115.5 | T255 M256 G257 K261 G262 F428 V431 E432 R452 L456 | T255-L259 HydrophobicContact CG2-CD1 4.22Å; T255-L259 WeakPolarHBondContact O-CG 3.33Å; T255-L259 PolarHBondContact O-N 3.45Å; M256-L259 CarbonylContact O-C 3.12Å; M256-L259 PolarHBondContact O-N 2.95Å; G257-L259 VanDerWaalsContact C-N 3.26Å; G257-L259 PolarHBondContact O-N 2.91Å; L259-K261 VanDerWaalsContact C-N 3.25Å; L259-K261 PolarHBondContact O-N 3.38Å; L259-K261 VanDerWaalsContact O-N 3.13Å; L259-G262 WeakPolarHBondContact O-CA 3.45Å; L259-G262 PolarHBondContact O-N 2.97Å; L259-F428 HydrophobicContact CD1-CB 4.07Å; L259-F428 HydrophobicContact CD2-CB 3.81Å; L259-F428 HydrophobicContact CD2-CD2 3.93Å; L259-F428 HydrophobicContact CD2-CG 4.22Å; L259-F428 HydrophobicContact CG-CB 3.89Å; L259-V431 HydrophobicContact CD1-CB 3.68Å; L259-V431 HydrophobicContact CD1-CG1 3.51Å; L259-E432 HydrophobicContact CD2-CB 4.21Å; L259-E432 WeakPolarHBondContact CD2-OE2 3.26Å; L259-R452 PolarHBondContact O-NH1 3.45Å; L259-L456 HydrophobicContact CB-CD1 3.95Å; L259-L456 HydrophobicContact CB-CD2 3.85Å; L259-L456 HydrophobicContact CD1-CD1 4Å |
| 260 | I | 93.9 | Very high | 94.8 | Very high | 91 Ų | 91 | 39.4 Ų | 39.4 | 47% | 0.467 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -33.3 | -171 | -163.8 | 170 | 0 | 0 | 0 | 113.8 | M256 G257 | M256-I260 PolarHBondContact O-N 3.29Å; G257-I260 WeakPolarHBondContact O-CG2 3.45Å; G257-I260 PolarHBondContact O-N 3.29Å |
| 261 | K | 92 | Very high | 94.7 | Very high | 163 Ų | 163 | 41.4 Ų | 41.4 | 71% | 0.709 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | 21.4 | 172.4 | -57.4 | 172.2 | -179.1 | 173.7 | 0 | 113.1 | L259 K264 | L259-K261 VanDerWaalsContact C-N 3.25Å; L259-K261 PolarHBondContact O-N 3.38Å; L259-K261 VanDerWaalsContact O-N 3.13Å; K261-K264 HydrophobicContact CB-CB 4.49Å |
| 262 | G | 91.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -142.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L259 K264 S265 S266 E432 R452 | L259-G262 WeakPolarHBondContact O-CA 3.45Å; L259-G262 PolarHBondContact O-N 2.97Å; G262-K264 PolarHBondContact O-N 2.88Å; G262-S265 PolarHBondContact O-N 3Å; G262-S266 PolarHBondContact O-N 2.95Å; G262-S266 PolarHBondContact O-OG 3.44Å; G262-E432 WeakPolarHBondContact CA-OE2 3.14Å; G262-R452 VanDerWaalsContact N-NH1 3.16Å |
| 263 | V | 91.6 | Very high | 94.5 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -53.9 | -22.7 | -179.6 | -64.1 | 0 | 0 | 0 | 0 | 115.1 | W49 S266 G267 Y339 E432 | W49-V263 HydrophobicContact CD2-CB 4.36Å; W49-V263 HydrophobicContact CE3-CB 3.83Å; W49-V263 HydrophobicContact CH2-CB 3.73Å; W49-V263 HydrophobicContact CH2-CG1 3.6Å; W49-V263 HydrophobicContact CZ2-CB 4.26Å; W49-V263 HydrophobicContact CZ2-CG1 3.91Å; W49-V263 HydrophobicContact CZ3-CB 3.51Å; W49-V263 HydrophobicContact CZ3-CG1 3.95Å; W49-V263 WeakPolarHBondContact CZ3-O 3.41Å; V263-S266 WeakPolarHBondContact CA-OG 3.29Å; V263-G267 WeakPolarHBondContact O-CA 3.33Å; V263-G267 PolarHBondContact O-N 2.94Å; V263-Y339 HydrophobicContact CB-CG 4.47Å; V263-Y339 HydrophobicContact CG1-CD1 4.18Å; V263-Y339 HydrophobicContact CG1-CD2 3.48Å; V263-Y339 VanDerWaalsContact CG1-CD2 3.48Å; V263-Y339 HydrophobicContact CG1-CE1 4.23Å; V263-Y339 HydrophobicContact CG1-CE2 3.52Å; V263-Y339 HydrophobicContact CG1-CG 3.81Å; V263-Y339 HydrophobicContact CG2-CD1 3.78Å; V263-Y339 HydrophobicContact CG2-CE1 4Å; V263-Y339 HydrophobicContact CG2-CG 4.07Å; V263-E432 HydrophobicContact CG1-CG 4.36Å |
| 264 | K | 91.8 | Very high | 94.3 | Very high | 120 Ų | 120 | 42.9 Ų | 42.9 | 52% | 0.522 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -73.3 | -29.6 | 174.9 | -67.7 | -178 | 179.1 | 177.1 | 0 | 113.2 | K261 G262 K268 | K261-K264 HydrophobicContact CB-CB 4.49Å; G262-K264 PolarHBondContact O-N 2.88Å; K264-K268 WeakPolarHBondContact O-CG 3.33Å |
| 265 | S | 93.3 | Very high | 94.2 | Very high | 24 Ų | 24 | 42.7 Ų | 42.7 | 17% | 0.168 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -88.9 | -51.8 | 177 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | C258 G262 G267 K268 V269 | C258-S265 CarbonylContact O-C 3.56Å; C258-S265 WeakPolarHBondContact O-CB 3.44Å; C258-S265 PolarHBondContact O-OG 3.12Å; G262-S265 PolarHBondContact O-N 3Å; S265-G267 VanDerWaalsContact C-N 3.3Å; S265-G267 PolarHBondContact O-N 3.44Å; S265-K268 WeakPolarHBondContact O-CB 3.32Å; S265-K268 PolarHBondContact O-N 2.75Å; S265-V269 PolarHBondContact O-N 3.29Å; S265-V269 VanDerWaalsContact O-N 3.11Å |
| 266 | S | 93.2 | Very high | 94 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 179.4 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | C258 G262 V263 K268 V269 V270 | C258-S266 PolarHBondContact O-N 3.33Å; G262-S266 PolarHBondContact O-N 2.95Å; G262-S266 PolarHBondContact O-OG 3.44Å; V263-S266 WeakPolarHBondContact CA-OG 3.29Å; S266-K268 PolarHBondContact O-N 2.89Å; S266-V269 PolarHBondContact O-N 3.3Å; S266-V270 WeakPolarHBondContact O-CG1 3.22Å; S266-V270 WeakPolarHBondContact O-CG2 3.33Å; S266-V270 PolarHBondContact O-N 2.85Å |
| 267 | G | 93.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.5 | -13.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115 | V263 S265 V270 Y271 | V263-G267 WeakPolarHBondContact O-CA 3.33Å; V263-G267 PolarHBondContact O-N 2.94Å; S265-G267 VanDerWaalsContact C-N 3.3Å; S265-G267 PolarHBondContact O-N 3.44Å; G267-V270 WeakPolarHBondContact O-CG2 3.46Å; G267-Y271 VanDerWaalsContact O-CD2 3.26Å; G267-Y271 WeakPolarHBondContact O-CD2 3.43Å; G267-Y271 WeakPolarHBondContact O-CE2 3.48Å |
| 268 | K | 95 | Very high | 93.7 | Very high | 95 Ų | 95 | 43.7 Ų | 43.7 | 41% | 0.413 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -96.5 | -38.4 | 171.2 | -60.9 | -60 | 171.8 | -136.1 | 0 | 112.6 | D54 K264 S265 S266 V270 Y271 | D54-K268 IonicContact OD1-NZ 2.9Å; D54-K268 PolarHBondContact OD1-NZ 3.26Å; D54-K268 IonicContact OD2-NZ 2.65Å; D54-K268 PolarHBondContact OD2-NZ 2.81Å; K264-K268 WeakPolarHBondContact O-CG 3.33Å; S265-K268 WeakPolarHBondContact O-CB 3.32Å; S265-K268 PolarHBondContact O-N 2.75Å; S266-K268 PolarHBondContact O-N 2.89Å; K268-V270 VanDerWaalsContact C-N 3.29Å; K268-V270 PolarHBondContact O-N 3.47Å; K268-Y271 PolarHBondContact O-N 3.05Å |
| 269 | V | 95.1 | Very high | 93.5 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 26% | 0.255 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | C258 S265 S266 Y271 F272 T273 | C258-V269 HydrophobicContact CB-CG2 4.46Å; S265-V269 PolarHBondContact O-N 3.29Å; S265-V269 VanDerWaalsContact O-N 3.11Å; S266-V269 PolarHBondContact O-N 3.3Å; V269-Y271 PolarHBondContact O-N 3.3Å; V269-Y271 VanDerWaalsContact O-N 3.08Å; V269-F272 PolarHBondContact O-N 3.13Å; V269-T273 HydrophobicContact CG1-CG2 3.6Å; V269-T273 PolarHBondContact O-N 3.23Å; V269-T273 VanDerWaalsContact O-N 3.08Å; V269-T273 PolarHBondContact O-OG1 3.33Å |
| 270 | V | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -19.4 | -178.4 | -63.7 | 0 | 0 | 0 | 0 | 115.2 | L57 S266 G267 K268 F272 T273 A274 F428 | L57-V270 HydrophobicContact CB-CB 4.15Å; L57-V270 HydrophobicContact CB-CG2 3.82Å; S266-V270 WeakPolarHBondContact O-CG1 3.22Å; S266-V270 WeakPolarHBondContact O-CG2 3.33Å; S266-V270 PolarHBondContact O-N 2.85Å; G267-V270 WeakPolarHBondContact O-CG2 3.46Å; K268-V270 VanDerWaalsContact C-N 3.29Å; K268-V270 PolarHBondContact O-N 3.47Å; V270-F272 PolarHBondContact O-N 3.35Å; V270-T273 VanDerWaalsContact CA-OG1 3.3Å; V270-T273 WeakPolarHBondContact CA-OG1 3.5Å; V270-A274 HydrophobicContact CB-CB 4.27Å; V270-A274 VanDerWaalsContact O-CB 3.22Å; V270-A274 WeakPolarHBondContact O-CB 3.23Å; V270-A274 PolarHBondContact O-N 3.21Å; V270-A274 VanDerWaalsContact O-N 3.08Å; V270-F428 HydrophobicContact CG1-CE1 3.69Å; V270-F428 HydrophobicContact CG1-CE2 4.46Å; V270-F428 HydrophobicContact CG1-CZ 3.35Å |
| 271 | Y | 96.4 | Very high | 93.1 | Very high | 77 Ų | 77 | 44.1 Ų | 44.1 | 30% | 0.302 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.2 | -31.7 | 173.4 | -82 | -100 | 0 | 0 | 0 | 111.8 | L53 D54 L57 G267 K268 V269 T275 | L53-Y271 HydrophobicContact CD2-CE1 3.58Å; L53-Y271 HydrophobicContact CG-CE1 4.11Å; D54-Y271 WeakPolarHBondContact OD1-CE2 3.49Å; D54-Y271 PolarHBondContact OD1-OH 3.44Å; L57-Y271 HydrophobicContact CD1-CD1 3.97Å; L57-Y271 HydrophobicContact CD1-CD2 4.28Å; L57-Y271 HydrophobicContact CD1-CE1 4.16Å; L57-Y271 HydrophobicContact CD1-CE2 4.43Å; L57-Y271 HydrophobicContact CD1-CG 4.05Å; G267-Y271 VanDerWaalsContact O-CD2 3.26Å; G267-Y271 WeakPolarHBondContact O-CD2 3.43Å; G267-Y271 WeakPolarHBondContact O-CE2 3.48Å; K268-Y271 PolarHBondContact O-N 3.05Å; V269-Y271 PolarHBondContact O-N 3.3Å; V269-Y271 VanDerWaalsContact O-N 3.08Å; Y271-T275 WeakPolarHBondContact O-CG2 3.26Å; Y271-T275 PolarHBondContact O-OG1 2.67Å |
| 272 | F | 95.2 | Very high | 93.2 | Very high | 102 Ų | 102 | 39.3 Ų | 39.3 | 45% | 0.447 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -95.2 | -55 | 174.8 | -178 | -100.5 | 0 | 0 | 0 | 110.7 | V269 V270 A274 T275 F276 F417 T421 | V269-F272 PolarHBondContact O-N 3.13Å; V270-F272 PolarHBondContact O-N 3.35Å; F272-A274 VanDerWaalsContact C-N 3.35Å; F272-A274 PolarHBondContact O-N 3.33Å; F272-T275 PolarHBondContact O-N 3.35Å; F272-F276 HydrophobicContact CD2-CB 4.29Å; F272-F276 HydrophobicContact CE1-CB 4.39Å; F272-F276 HydrophobicContact CE1-CG 4.32Å; F272-F276 HydrophobicContact CE2-CB 4.08Å; F272-F276 AromaticContact CE2-CD2 3.68Å; F272-F276 HydrophobicContact CE2-CD2 3.68Å; F272-F276 HydrophobicContact CE2-CE2 4.31Å; F272-F276 AromaticContact CE2-CG 3.9Å; F272-F276 HydrophobicContact CE2-CG 3.9Å; F272-F276 HydrophobicContact CZ-CB 4.15Å; F272-F276 HydrophobicContact CZ-CD1 4.14Å; F272-F276 AromaticContact CZ-CD2 3.86Å; F272-F276 HydrophobicContact CZ-CD2 3.86Å; F272-F276 HydrophobicContact CZ-CE2 4.29Å; F272-F276 AromaticContact CZ-CG 3.76Å; F272-F276 HydrophobicContact CZ-CG 3.76Å; F272-F276 WeakPolarHBondContact O-CB 3.5Å; F272-F276 PolarHBondContact O-N 3.44Å; F272-F417 AromaticContact CE1-CE1 3.49Å; F272-F417 HydrophobicContact CE1-CE1 3.49Å; F272-F417 VanDerWaalsContact CE1-CE1 3.49Å; F272-F417 AromaticContact CE1-CZ 3.61Å; F272-F417 HydrophobicContact CE1-CZ 3.61Å; F272-F417 AromaticContact CZ-CE1 3.59Å; F272-F417 HydrophobicContact CZ-CE1 3.59Å; F272-F417 AromaticContact CZ-CZ 4Å; F272-F417 HydrophobicContact CZ-CZ 4Å; F272-T421 HydrophobicContact CE1-CG2 4.26Å |
| 273 | T | 94.9 | Very high | 93.1 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 7% | 0.074 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.1 | -32.7 | -169.6 | 54 | 0 | 0 | 0 | 0 | 113.9 | V269 V270 P277 T421 D425 | V269-T273 HydrophobicContact CG1-CG2 3.6Å; V269-T273 PolarHBondContact O-N 3.23Å; V269-T273 VanDerWaalsContact O-N 3.08Å; V269-T273 PolarHBondContact O-OG1 3.33Å; V270-T273 VanDerWaalsContact CA-OG1 3.3Å; V270-T273 WeakPolarHBondContact CA-OG1 3.5Å; T273-P277 WeakPolarHBondContact O-CD 3.34Å; T273-P277 VanDerWaalsContact O-CG 3.25Å; T273-P277 WeakPolarHBondContact O-CG 3.3Å; T273-T421 HydrophobicContact CG2-CG2 4.05Å; T273-D425 VanDerWaalsContact C-OD2 3.29Å; T273-D425 WeakPolarHBondContact CB-OD1 3.43Å; T273-D425 PolarHBondContact OG1-OD1 2.84Å; T273-D425 PolarHBondContact OG1-OD2 3.39Å |
| 274 | A | 93.6 | Very high | 93 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 5% | 0.05 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -22.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L57 V270 F272 Y278 D425 | L57-A274 HydrophobicContact CB-CB 4.49Å; V270-A274 HydrophobicContact CB-CB 4.27Å; V270-A274 VanDerWaalsContact O-CB 3.22Å; V270-A274 WeakPolarHBondContact O-CB 3.23Å; V270-A274 PolarHBondContact O-N 3.21Å; V270-A274 VanDerWaalsContact O-N 3.08Å; F272-A274 VanDerWaalsContact C-N 3.35Å; F272-A274 PolarHBondContact O-N 3.33Å; A274-Y278 VanDerWaalsContact O-CD2 3.29Å; A274-Y278 WeakPolarHBondContact O-CD2 3.47Å; A274-Y278 VanDerWaalsContact O-CE2 3.28Å; A274-Y278 WeakPolarHBondContact O-CE2 3.36Å; A274-D425 WeakPolarHBondContact CA-OD2 3.23Å; A274-D425 WeakPolarHBondContact CB-OD2 3.06Å; A274-D425 PolarHBondContact N-OD2 2.89Å |
| 275 | T | 93.9 | Very high | 93 | Very high | 62 Ų | 62 | 37.5 Ų | 37.5 | 38% | 0.38 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -35 | -176 | 69.8 | 0 | 0 | 0 | 0 | 113 | L57 Y271 F272 Y278 | L57-T275 HydrophobicContact CD1-CG2 4.33Å; L57-T275 HydrophobicContact CD2-CG2 3.88Å; Y271-T275 WeakPolarHBondContact O-CG2 3.26Å; Y271-T275 PolarHBondContact O-OG1 2.67Å; F272-T275 PolarHBondContact O-N 3.35Å; T275-Y278 WeakPolarHBondContact O-CB 3.2Å; T275-Y278 PolarHBondContact O-N 3.29Å; T275-Y278 VanDerWaalsContact O-N 3.09Å |
| 276 | F | 92.5 | Very high | 93 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -37.8 | -178.2 | -174.4 | -101.6 | 0 | 0 | 0 | 113.6 | F272 Y278 L279 L280 L414 F417 | F272-F276 HydrophobicContact CD2-CB 4.29Å; F272-F276 HydrophobicContact CE1-CB 4.39Å; F272-F276 HydrophobicContact CE1-CG 4.32Å; F272-F276 HydrophobicContact CE2-CB 4.08Å; F272-F276 AromaticContact CE2-CD2 3.68Å; F272-F276 HydrophobicContact CE2-CD2 3.68Å; F272-F276 HydrophobicContact CE2-CE2 4.31Å; F272-F276 AromaticContact CE2-CG 3.9Å; F272-F276 HydrophobicContact CE2-CG 3.9Å; F272-F276 HydrophobicContact CZ-CB 4.15Å; F272-F276 HydrophobicContact CZ-CD1 4.14Å; F272-F276 AromaticContact CZ-CD2 3.86Å; F272-F276 HydrophobicContact CZ-CD2 3.86Å; F272-F276 HydrophobicContact CZ-CE2 4.29Å; F272-F276 AromaticContact CZ-CG 3.76Å; F272-F276 HydrophobicContact CZ-CG 3.76Å; F272-F276 WeakPolarHBondContact O-CB 3.5Å; F272-F276 PolarHBondContact O-N 3.44Å; F276-Y278 PolarHBondContact O-N 3.06Å; F276-L279 HydrophobicContact CD2-CD2 4.27Å; F276-L279 HydrophobicContact CE2-CD2 4.12Å; F276-L279 WeakPolarHBondContact O-CB 3.12Å; F276-L279 PolarHBondContact O-N 2.8Å; F276-L279 VanDerWaalsContact O-N 3.12Å; F276-L280 HydrophobicContact CD1-CD1 3.98Å; F276-L280 HydrophobicContact CD1-CG 4.25Å; F276-L280 HydrophobicContact CE1-CD1 3.28Å; F276-L280 HydrophobicContact CE1-CD2 4.31Å; F276-L280 HydrophobicContact CE1-CG 3.67Å; F276-L280 HydrophobicContact CZ-CD1 3.91Å; F276-L280 HydrophobicContact CZ-CD2 4.12Å; F276-L280 HydrophobicContact CZ-CG 3.93Å; F276-L280 PolarHBondContact O-N 3.22Å; F276-L280 VanDerWaalsContact O-N 3.14Å; F276-L414 HydrophobicContact CZ-CD2 4.41Å; F276-F417 HydrophobicContact CD1-CD1 4.03Å; F276-F417 HydrophobicContact CD1-CE1 4.02Å; F276-F417 AromaticContact CE1-CD1 3.51Å; F276-F417 HydrophobicContact CE1-CD1 3.51Å; F276-F417 AromaticContact CE1-CE1 3.8Å; F276-F417 HydrophobicContact CE1-CE1 3.8Å; F276-F417 HydrophobicContact CZ-CD1 4.27Å; F276-F417 HydrophobicContact CZ-CE1 4.42Å |
| 277 | P | 91.2 | Very high | 92.7 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.032 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.4 | -33.5 | 173.3 | -28.8 | 37.4 | 0 | 0 | 0 | 114.1 | T273 L280 L281 M418 V422 | T273-P277 WeakPolarHBondContact O-CD 3.34Å; T273-P277 VanDerWaalsContact O-CG 3.25Å; T273-P277 WeakPolarHBondContact O-CG 3.3Å; P277-L280 PolarHBondContact O-N 3.3Å; P277-L281 WeakPolarHBondContact O-CB 3.15Å; P277-L281 VanDerWaalsContact O-CG 3.27Å; P277-L281 WeakPolarHBondContact O-CG 3.43Å; P277-L281 PolarHBondContact O-N 3.45Å; P277-M418 HydrophobicContact CB-CG 3.77Å; P277-M418 HydrophobicContact CB-SD 4.3Å; P277-M418 HydrophobicContact CG-CG 4.18Å; P277-V422 HydrophobicContact CB-CG2 3.81Å; P277-V422 HydrophobicContact CG-CG2 3.58Å |
| 278 | Y | 92.5 | Very high | 92.5 | Very high | 61 Ų | 61 | 43.6 Ų | 43.6 | 24% | 0.239 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -41.6 | 176.5 | -71.2 | -86.8 | 0 | 0 | 0 | 112 | I60 A274 T275 F276 L280 L281 T282 T360 | I60-Y278 HydrophobicContact CG2-CE2 4.06Å; I60-Y278 WeakPolarHBondContact CG2-OH 3.43Å; A274-Y278 VanDerWaalsContact O-CD2 3.29Å; A274-Y278 WeakPolarHBondContact O-CD2 3.47Å; A274-Y278 VanDerWaalsContact O-CE2 3.28Å; A274-Y278 WeakPolarHBondContact O-CE2 3.36Å; T275-Y278 WeakPolarHBondContact O-CB 3.2Å; T275-Y278 PolarHBondContact O-N 3.29Å; T275-Y278 VanDerWaalsContact O-N 3.09Å; F276-Y278 PolarHBondContact O-N 3.06Å; Y278-L280 VanDerWaalsContact C-N 3.3Å; Y278-L280 PolarHBondContact O-N 2.86Å; Y278-L281 PolarHBondContact O-N 2.88Å; Y278-T282 WeakPolarHBondContact O-CB 3.47Å; Y278-T282 PolarHBondContact O-N 3.18Å; Y278-T282 PolarHBondContact O-OG1 3.02Å; Y278-T360 HydrophobicContact CD1-CG2 4.41Å; Y278-T360 HydrophobicContact CE1-CG2 3.5Å; Y278-T360 VanDerWaalsContact CE1-CG2 3.5Å; Y278-T360 VanDerWaalsContact CE1-OG1 3.27Å; Y278-T360 WeakPolarHBondContact CE1-OG1 3.29Å; Y278-T360 PolarHBondContact OH-OG1 3.49Å |
| 279 | L | 92.3 | Very high | 92.4 | Very high | 101 Ų | 101 | 43.7 Ų | 43.7 | 53% | 0.529 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.3 | -47 | 174.1 | 177.3 | 67.1 | 0 | 0 | 0 | 110.2 | F276 T282 V283 | F276-L279 HydrophobicContact CD2-CD2 4.27Å; F276-L279 HydrophobicContact CE2-CD2 4.12Å; F276-L279 WeakPolarHBondContact O-CB 3.12Å; F276-L279 PolarHBondContact O-N 2.8Å; F276-L279 VanDerWaalsContact O-N 3.12Å; L279-T282 PolarHBondContact O-N 2.99Å; L279-V283 HydrophobicContact CD1-CG2 4.38Å; L279-V283 VanDerWaalsContact O-CG2 3.28Å; L279-V283 WeakPolarHBondContact O-CG2 3.42Å; L279-V283 PolarHBondContact O-N 3.25Å |
| 280 | L | 89.4 | Confident | 92.2 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.1 | -43 | -179.3 | -72.8 | -171.6 | 0 | 0 | 0 | 113.3 | F276 P277 Y278 T282 V283 L284 L414 M418 | F276-L280 HydrophobicContact CD1-CD1 3.98Å; F276-L280 HydrophobicContact CD1-CG 4.25Å; F276-L280 HydrophobicContact CE1-CD1 3.28Å; F276-L280 HydrophobicContact CE1-CD2 4.31Å; F276-L280 HydrophobicContact CE1-CG 3.67Å; F276-L280 HydrophobicContact CZ-CD1 3.91Å; F276-L280 HydrophobicContact CZ-CD2 4.12Å; F276-L280 HydrophobicContact CZ-CG 3.93Å; F276-L280 PolarHBondContact O-N 3.22Å; F276-L280 VanDerWaalsContact O-N 3.14Å; P277-L280 PolarHBondContact O-N 3.3Å; Y278-L280 VanDerWaalsContact C-N 3.3Å; Y278-L280 PolarHBondContact O-N 2.86Å; L280-T282 PolarHBondContact O-N 3.13Å; L280-V283 PolarHBondContact O-N 3.32Å; L280-L284 VanDerWaalsContact O-CB 3.28Å; L280-L284 WeakPolarHBondContact O-CB 3.47Å; L280-L284 VanDerWaalsContact O-CG 3.26Å; L280-L284 WeakPolarHBondContact O-CG 3.31Å; L280-L284 PolarHBondContact O-N 3.03Å; L280-L414 HydrophobicContact CD1-CB 4.2Å; L280-L414 WeakPolarHBondContact CD1-O 3.37Å; L280-L414 HydrophobicContact CD2-CB 3.97Å; L280-L414 HydrophobicContact CD2-CD1 3.97Å; L280-L414 HydrophobicContact CD2-CD2 4.17Å; L280-L414 HydrophobicContact CD2-CG 4.27Å; L280-M418 HydrophobicContact CB-CG 4.44Å; L280-M418 HydrophobicContact CB-SD 3.9Å; L280-M418 HydrophobicContact CD1-CB 3.64Å; L280-M418 HydrophobicContact CD1-CG 4.23Å |
| 281 | L | 91.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.4 | -40.7 | 173.3 | -72.6 | 174.3 | 0 | 0 | 0 | 110.9 | I69 P277 Y278 L285 Y363 A364 V367 M418 | I69-L281 HydrophobicContact CG2-CD2 4.17Å; P277-L281 WeakPolarHBondContact O-CB 3.15Å; P277-L281 VanDerWaalsContact O-CG 3.27Å; P277-L281 WeakPolarHBondContact O-CG 3.43Å; P277-L281 PolarHBondContact O-N 3.45Å; Y278-L281 PolarHBondContact O-N 2.88Å; L281-L285 VanDerWaalsContact O-CB 3.29Å; L281-L285 WeakPolarHBondContact O-CB 3.26Å; L281-L285 PolarHBondContact O-N 3.19Å; L281-Y363 HydrophobicContact CB-CD1 4.34Å; L281-Y363 HydrophobicContact CB-CE1 3.91Å; L281-A364 HydrophobicContact CD1-CB 4.39Å; L281-A364 HydrophobicContact CD2-CB 4.42Å; L281-V367 HydrophobicContact CB-CG2 4.21Å; L281-V367 HydrophobicContact CD2-CB 4.37Å; L281-V367 HydrophobicContact CD2-CG1 4.36Å; L281-V367 HydrophobicContact CD2-CG2 4.06Å; L281-V367 WeakPolarHBondContact O-CG2 3.37Å; L281-M418 HydrophobicContact CD2-CE 4.26Å; L281-M418 HydrophobicContact CD2-SD 4.06Å; L281-M418 HydrophobicContact CG-SD 4.01Å |
| 282 | T | 93.7 | Very high | 91.5 | Very high | 62 Ų | 62 | 50 Ų | 50 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 176.4 | -60.4 | 0 | 0 | 0 | 0 | 113 | Y278 L279 L280 L285 V286 Y363 | Y278-T282 WeakPolarHBondContact O-CB 3.47Å; Y278-T282 PolarHBondContact O-N 3.18Å; Y278-T282 PolarHBondContact O-OG1 3.02Å; L279-T282 PolarHBondContact O-N 2.99Å; L280-T282 PolarHBondContact O-N 3.13Å; T282-L285 WeakPolarHBondContact O-CB 3.33Å; T282-L285 PolarHBondContact O-N 3.2Å; T282-V286 WeakPolarHBondContact O-CG2 3.42Å; T282-V286 PolarHBondContact O-N 3.19Å; T282-Y363 VanDerWaalsContact CA-OH 3.23Å; T282-Y363 WeakPolarHBondContact CA-OH 3.4Å; T282-Y363 WeakPolarHBondContact CB-OH 3.39Å; T282-Y363 PolarHBondContact OG1-OH 3.07Å |
| 283 | V | 90.6 | Very high | 91.2 | Very high | 55 Ų | 55 | 46 Ų | 46 | 33% | 0.333 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.7 | -44.1 | 177.5 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | L279 L280 L285 V286 R287 W411 | L279-V283 HydrophobicContact CD1-CG2 4.38Å; L279-V283 VanDerWaalsContact O-CG2 3.28Å; L279-V283 WeakPolarHBondContact O-CG2 3.42Å; L279-V283 PolarHBondContact O-N 3.25Å; L280-V283 PolarHBondContact O-N 3.32Å; V283-L285 VanDerWaalsContact C-N 3.32Å; V283-L285 PolarHBondContact O-N 3.17Å; V283-V286 PolarHBondContact O-N 3.34Å; V283-R287 WeakPolarHBondContact O-CB 3.45Å; V283-R287 PolarHBondContact O-N 3.4Å; V283-W411 HydrophobicContact CG1-CH2 3.82Å; V283-W411 HydrophobicContact CG1-CZ3 3.58Å |
| 284 | L | 88.1 | Confident | 91 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.5 | -34.5 | 176.4 | -71 | 174.8 | 0 | 0 | 0 | 111.9 | L280 G288 V367 W411 F415 | L280-L284 VanDerWaalsContact O-CB 3.28Å; L280-L284 WeakPolarHBondContact O-CB 3.47Å; L280-L284 VanDerWaalsContact O-CG 3.26Å; L280-L284 WeakPolarHBondContact O-CG 3.31Å; L280-L284 PolarHBondContact O-N 3.03Å; L284-G288 WeakPolarHBondContact O-CA 3.5Å; L284-G288 PolarHBondContact O-N 3.3Å; L284-V367 HydrophobicContact CB-CG1 3.64Å; L284-W411 HydrophobicContact CD2-CE3 4.22Å; L284-F415 HydrophobicContact CD1-CD2 4.32Å |
| 285 | L | 92 | Very high | 91.1 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 12% | 0.12 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -51 | 173.1 | -175.5 | 58.4 | 0 | 0 | 0 | 110.9 | L281 T282 V283 R287 G288 L289 Y363 F366 V367 | L281-L285 VanDerWaalsContact O-CB 3.29Å; L281-L285 WeakPolarHBondContact O-CB 3.26Å; L281-L285 PolarHBondContact O-N 3.19Å; T282-L285 WeakPolarHBondContact O-CB 3.33Å; T282-L285 PolarHBondContact O-N 3.2Å; V283-L285 VanDerWaalsContact C-N 3.32Å; V283-L285 PolarHBondContact O-N 3.17Å; L285-R287 VanDerWaalsContact C-N 3.28Å; L285-R287 PolarHBondContact O-N 2.69Å; L285-G288 PolarHBondContact O-N 3.06Å; L285-L289 HydrophobicContact CD1-CD1 4.06Å; L285-L289 HydrophobicContact CD1-CD2 4.48Å; L285-L289 HydrophobicContact CD1-CG 4.02Å; L285-L289 HydrophobicContact CG-CD1 3.9Å; L285-L289 HydrophobicContact CG-CG 4.28Å; L285-L289 WeakPolarHBondContact O-CB 3.19Å; L285-L289 VanDerWaalsContact O-CG 3.24Å; L285-L289 WeakPolarHBondContact O-CG 3.12Å; L285-L289 PolarHBondContact O-N 3.17Å; L285-Y363 HydrophobicContact CD2-CD2 4.43Å; L285-Y363 HydrophobicContact CD2-CE2 3.48Å; L285-Y363 VanDerWaalsContact CD2-CE2 3.48Å; L285-Y363 WeakPolarHBondContact CD2-OH 3.5Å; L285-F366 HydrophobicContact CD1-CB 3.79Å; L285-V367 HydrophobicContact CB-CG2 4.03Å; L285-V367 HydrophobicContact CD1-CG2 4.36Å |
| 286 | V | 93.1 | Very high | 90.9 | Very high | 91 Ų | 91 | 54 Ų | 54 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -58.4 | -46.1 | 179.6 | 172.4 | 0 | 0 | 0 | 0 | 109.7 | T282 V283 L289 T290 | T282-V286 WeakPolarHBondContact O-CG2 3.42Å; T282-V286 PolarHBondContact O-N 3.19Å; V283-V286 PolarHBondContact O-N 3.34Å; V286-L289 PolarHBondContact O-N 3.34Å; V286-T290 WeakPolarHBondContact O-CG2 3.2Å; V286-T290 PolarHBondContact O-N 2.9Å |
| 287 | R | 87.9 | Confident | 90.9 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 23% | 0.226 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.7 | -47 | 175.9 | 179.8 | 59.3 | -174.2 | 123.7 | -1.9 | 111.7 | V283 L285 L289 T290 L291 M405 | V283-R287 WeakPolarHBondContact O-CB 3.45Å; V283-R287 PolarHBondContact O-N 3.4Å; L285-R287 VanDerWaalsContact C-N 3.28Å; L285-R287 PolarHBondContact O-N 2.69Å; R287-L289 VanDerWaalsContact C-N 3.32Å; R287-L289 PolarHBondContact O-N 2.86Å; R287-T290 PolarHBondContact NH1-OG1 3.32Å; R287-T290 PolarHBondContact O-N 2.98Å; R287-T290 VanDerWaalsContact O-N 3.08Å; R287-T290 PolarHBondContact O-OG1 3.34Å; R287-L291 VanDerWaalsContact CZ-CD2 3.41Å; R287-L291 VanDerWaalsContact NH1-CD2 3.27Å; R287-L291 VanDerWaalsContact NH2-CD2 3.3Å; R287-L291 PolarHBondContact O-N 3.44Å; R287-M405 HydrophobicContact CG-SD 3.96Å |
| 288 | G | 88.3 | Confident | 91 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.1 | -42.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L284 L285 T290 L291 A294 S370 | L284-G288 WeakPolarHBondContact O-CA 3.5Å; L284-G288 PolarHBondContact O-N 3.3Å; L285-G288 PolarHBondContact O-N 3.06Å; G288-T290 VanDerWaalsContact C-N 3.26Å; G288-T290 PolarHBondContact O-N 3.36Å; G288-L291 WeakPolarHBondContact O-CB 3.49Å; G288-L291 PolarHBondContact O-N 2.79Å; G288-L291 VanDerWaalsContact O-N 3.16Å; G288-A294 WeakPolarHBondContact O-CB 3.24Å; G288-S370 WeakPolarHBondContact CA-OG 3.37Å |
| 289 | L | 93 | Very high | 91.1 | Very high | 97 Ų | 97 | 52.6 Ų | 52.6 | 51% | 0.508 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.8 | -22.7 | 176.9 | -69 | 174.3 | 0 | 0 | 0 | 113.8 | L285 V286 R287 L291 I298 | L285-L289 HydrophobicContact CD1-CD1 4.06Å; L285-L289 HydrophobicContact CD1-CD2 4.48Å; L285-L289 HydrophobicContact CD1-CG 4.02Å; L285-L289 HydrophobicContact CG-CD1 3.9Å; L285-L289 HydrophobicContact CG-CG 4.28Å; L285-L289 WeakPolarHBondContact O-CB 3.19Å; L285-L289 VanDerWaalsContact O-CG 3.24Å; L285-L289 WeakPolarHBondContact O-CG 3.12Å; L285-L289 PolarHBondContact O-N 3.17Å; V286-L289 PolarHBondContact O-N 3.34Å; R287-L289 VanDerWaalsContact C-N 3.32Å; R287-L289 PolarHBondContact O-N 2.86Å; L289-L291 VanDerWaalsContact C-N 3.31Å; L289-I298 HydrophobicContact CD2-CD1 3.39Å |
| 290 | T | 91.2 | Very high | 90.9 | Very high | 95 Ų | 95 | 52.4 Ų | 52.4 | 58% | 0.583 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -4.4 | 175 | 63.5 | 0 | 0 | 0 | 0 | 113.6 | V286 R287 G288 | V286-T290 WeakPolarHBondContact O-CG2 3.2Å; V286-T290 PolarHBondContact O-N 2.9Å; R287-T290 PolarHBondContact NH1-OG1 3.32Å; R287-T290 PolarHBondContact O-N 2.98Å; R287-T290 VanDerWaalsContact O-N 3.08Å; R287-T290 PolarHBondContact O-OG1 3.34Å; G288-T290 VanDerWaalsContact C-N 3.26Å; G288-T290 PolarHBondContact O-N 3.36Å |
| 291 | L | 87.6 | Confident | 91.1 | Very high | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.094 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -88.8 | 146.8 | 178.7 | -67.8 | 168.9 | 0 | 0 | 0 | 111.3 | R287 G288 L289 A294 F374 M405 | R287-L291 VanDerWaalsContact CZ-CD2 3.41Å; R287-L291 VanDerWaalsContact NH1-CD2 3.27Å; R287-L291 VanDerWaalsContact NH2-CD2 3.3Å; R287-L291 PolarHBondContact O-N 3.44Å; G288-L291 WeakPolarHBondContact O-CB 3.49Å; G288-L291 PolarHBondContact O-N 2.79Å; G288-L291 VanDerWaalsContact O-N 3.16Å; L289-L291 VanDerWaalsContact C-N 3.31Å; L291-A294 WeakPolarHBondContact O-CB 3.06Å; L291-A294 PolarHBondContact O-N 2.97Å; L291-F374 HydrophobicContact CB-CB 3.81Å; L291-F374 HydrophobicContact CB-CD2 3.68Å; L291-F374 HydrophobicContact CB-CE2 4.42Å; L291-F374 HydrophobicContact CB-CG 3.81Å; L291-F374 HydrophobicContact CD1-CB 4.01Å; L291-F374 HydrophobicContact CD1-CD1 3.79Å; L291-F374 HydrophobicContact CD1-CD2 4.21Å; L291-F374 HydrophobicContact CD1-CE1 4.29Å; L291-F374 HydrophobicContact CD1-CG 3.73Å; L291-F374 HydrophobicContact CD2-CD2 3.9Å; L291-F374 HydrophobicContact CD2-CE1 4.44Å; L291-F374 HydrophobicContact CD2-CE2 3.79Å; L291-F374 HydrophobicContact CD2-CG 4.25Å; L291-F374 HydrophobicContact CD2-CZ 4.07Å; L291-F374 HydrophobicContact CG-CB 4.48Å; L291-F374 HydrophobicContact CG-CD2 4.15Å; L291-F374 HydrophobicContact CG-CG 4.15Å; L291-M405 HydrophobicContact CD1-CE 3.54Å; L291-M405 HydrophobicContact CD1-SD 4.31Å |
| 292 | E | 89.5 | Confident | 91.2 | Very high | 137 Ų | 137 | 54.9 Ų | 54.9 | 64% | 0.64 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 145.6 | 173.2 | -62.8 | -172.5 | 177.1 | 0 | 0 | 111.1 | A294 F374 H377 | E292-A294 PolarHBondContact O-N 2.9Å; E292-F374 VanDerWaalsContact O-CA 3.23Å; E292-F374 WeakPolarHBondContact O-CA 3.49Å; E292-F374 WeakPolarHBondContact O-CB 3.35Å; E292-F374 WeakPolarHBondContact O-CD2 3.19Å; E292-H377 IonicContact OE2-CD2 2.64Å; E292-H377 IonicContact OE2-CE1 3.56Å; E292-H377 IonicContact OE2-NE2 3.53Å; E292-H377 PolarHBondContact OE2-NE2 3.47Å |
| 293 | G | 88.7 | Confident | 91.2 | Very high | 19 Ų | 19 | 59.2 Ų | 59.2 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -10.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y295 T296 G297 G373 | G293-Y295 VanDerWaalsContact C-N 3.27Å; G293-Y295 PolarHBondContact O-N 2.92Å; G293-T296 WeakPolarHBondContact O-CB 3.29Å; G293-T296 PolarHBondContact O-N 3.24Å; G293-G297 PolarHBondContact O-N 3.5Å; G293-G373 CarbonylContact O-C 3.57Å; G293-G373 WeakPolarHBondContact O-CA 3.43Å |
| 294 | A | 91.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.3 | -39.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G288 L291 E292 T296 G297 I298 S370 | G288-A294 WeakPolarHBondContact O-CB 3.24Å; L291-A294 WeakPolarHBondContact O-CB 3.06Å; L291-A294 PolarHBondContact O-N 2.97Å; E292-A294 PolarHBondContact O-N 2.9Å; A294-T296 VanDerWaalsContact C-N 3.33Å; A294-T296 PolarHBondContact O-N 3.44Å; A294-G297 PolarHBondContact O-N 3.2Å; A294-I298 WeakPolarHBondContact O-CG1 3.41Å; A294-I298 PolarHBondContact O-N 3.03Å; A294-S370 WeakPolarHBondContact CA-O 3.17Å |
| 295 | Y | 93.7 | Very high | 91.7 | Very high | 170 Ų | 170 | 62.3 Ų | 62.3 | 67% | 0.667 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.7 | -43.8 | 176.8 | 177.4 | -99.7 | 0 | 0 | 0 | 112.1 | G293 G297 I298 M299 | G293-Y295 VanDerWaalsContact C-N 3.27Å; G293-Y295 PolarHBondContact O-N 2.92Å; Y295-G297 VanDerWaalsContact C-N 3.34Å; Y295-G297 PolarHBondContact O-N 3.44Å; Y295-I298 PolarHBondContact O-N 3.44Å; Y295-M299 HydrophobicContact CD1-CG 3.99Å; Y295-M299 HydrophobicContact CD2-CE 4.21Å; Y295-M299 HydrophobicContact CD2-CG 4.35Å; Y295-M299 HydrophobicContact CE1-CG 3.52Å; Y295-M299 HydrophobicContact CE1-SD 4.29Å; Y295-M299 HydrophobicContact CE2-CE 3.74Å; Y295-M299 HydrophobicContact CE2-CG 3.91Å; Y295-M299 HydrophobicContact CE2-SD 3.84Å; Y295-M299 HydrophobicContact CG-CG 4.39Å; Y295-M299 VanDerWaalsContact CZ-CG 3.48Å; Y295-M299 WeakPolarHBondContact O-CG 3.36Å; Y295-M299 PolarHBondContact O-N 2.59Å; Y295-M299 PolarHBondContact OH-SD 2.92Å |
| 296 | T | 91 | Very high | 91.9 | Very high | 75 Ų | 75 | 67.2 Ų | 67.2 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 178.7 | -52.4 | 0 | 0 | 0 | 0 | 110.1 | G293 A294 I298 M299 Y300 I383 | G293-T296 WeakPolarHBondContact O-CB 3.29Å; G293-T296 PolarHBondContact O-N 3.24Å; A294-T296 VanDerWaalsContact C-N 3.33Å; A294-T296 PolarHBondContact O-N 3.44Å; T296-I298 PolarHBondContact O-N 3.01Å; T296-M299 PolarHBondContact O-N 3.31Å; T296-Y300 HydrophobicContact CG2-CD2 4.34Å; T296-Y300 HydrophobicContact CG2-CE2 4.16Å; T296-Y300 VanDerWaalsContact O-CD2 3.31Å; T296-Y300 WeakPolarHBondContact O-CD2 3.48Å; T296-Y300 PolarHBondContact O-N 2.92Å; T296-I383 HydrophobicContact CG2-CD1 3.88Å |
| 297 | G | 91.9 | Very high | 92 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.7 | -48 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | G293 A294 Y295 M299 Y300 Y301 F369 | G293-G297 PolarHBondContact O-N 3.5Å; A294-G297 PolarHBondContact O-N 3.2Å; Y295-G297 VanDerWaalsContact C-N 3.34Å; Y295-G297 PolarHBondContact O-N 3.44Å; G297-M299 VanDerWaalsContact C-N 3.28Å; G297-M299 PolarHBondContact O-N 3.27Å; G297-Y300 WeakPolarHBondContact O-CB 3.32Å; G297-Y300 PolarHBondContact O-N 3.1Å; G297-Y300 VanDerWaalsContact O-N 3.11Å; G297-Y301 PolarHBondContact O-N 3.13Å; G297-F369 VanDerWaalsContact CA-O 3.31Å; G297-F369 WeakPolarHBondContact CA-O 3.47Å; G297-F369 VanDerWaalsContact O-CD1 3.24Å; G297-F369 WeakPolarHBondContact O-CD1 3.49Å |
| 298 | I | 94.3 | Very high | 92.2 | Very high | 17 Ų | 17 | 68.8 Ų | 68.8 | 9% | 0.087 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 178.9 | -66.9 | 164.4 | 0 | 0 | 0 | 111.6 | L289 A294 Y295 T296 Y300 Y301 I302 F366 | L289-I298 HydrophobicContact CD2-CD1 3.39Å; A294-I298 WeakPolarHBondContact O-CG1 3.41Å; A294-I298 PolarHBondContact O-N 3.03Å; Y295-I298 PolarHBondContact O-N 3.44Å; T296-I298 PolarHBondContact O-N 3.01Å; I298-Y300 VanDerWaalsContact C-N 3.33Å; I298-Y300 PolarHBondContact O-N 2.65Å; I298-Y301 WeakPolarHBondContact O-CB 3.41Å; I298-Y301 PolarHBondContact O-N 2.69Å; I298-Y301 VanDerWaalsContact O-N 3.14Å; I298-I302 HydrophobicContact CG2-CD1 4.36Å; I298-I302 HydrophobicContact CG2-CG2 4.5Å; I298-I302 WeakPolarHBondContact O-CG1 3.19Å; I298-I302 PolarHBondContact O-N 3.34Å; I298-F366 HydrophobicContact CG2-CD1 3.9Å; I298-F366 HydrophobicContact CG2-CE1 3.9Å |
| 299 | M | 93.7 | Very high | 92.5 | Very high | 52 Ų | 52 | 70.4 Ų | 70.4 | 26% | 0.256 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 175.3 | -71.8 | -52.1 | 92.8 | 0 | 0 | 112.3 | Y295 T296 G297 Y301 I302 K303 | Y295-M299 HydrophobicContact CD1-CG 3.99Å; Y295-M299 HydrophobicContact CD2-CE 4.21Å; Y295-M299 HydrophobicContact CD2-CG 4.35Å; Y295-M299 HydrophobicContact CE1-CG 3.52Å; Y295-M299 HydrophobicContact CE1-SD 4.29Å; Y295-M299 HydrophobicContact CE2-CE 3.74Å; Y295-M299 HydrophobicContact CE2-CG 3.91Å; Y295-M299 HydrophobicContact CE2-SD 3.84Å; Y295-M299 HydrophobicContact CG-CG 4.39Å; Y295-M299 VanDerWaalsContact CZ-CG 3.48Å; Y295-M299 WeakPolarHBondContact O-CG 3.36Å; Y295-M299 PolarHBondContact O-N 2.59Å; Y295-M299 PolarHBondContact OH-SD 2.92Å; T296-M299 PolarHBondContact O-N 3.31Å; G297-M299 VanDerWaalsContact C-N 3.28Å; G297-M299 PolarHBondContact O-N 3.27Å; M299-Y301 PolarHBondContact O-N 3.11Å; M299-I302 HydrophobicContact CE-CD1 3.42Å; M299-I302 VanDerWaalsContact CE-CD1 3.42Å; M299-I302 HydrophobicContact CE-CG1 3.89Å; M299-I302 PolarHBondContact O-N 3.17Å; M299-I302 HydrophobicContact SD-CD1 4.39Å; M299-K303 WeakPolarHBondContact O-CB 3.16Å; M299-K303 PolarHBondContact O-N 3.39Å |
| 300 | Y | 88.9 | Confident | 92.6 | Very high | 98 Ų | 98 | 72.9 Ų | 72.9 | 38% | 0.384 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.4 | -32.3 | 173.8 | -88.7 | -102.9 | 0 | 0 | 0 | 112.7 | Y77 T296 G297 I298 I383 | Y77-Y300 HydrophobicContact CD2-CD1 4.21Å; Y77-Y300 AromaticContact CE2-CD1 3.73Å; Y77-Y300 HydrophobicContact CE2-CD1 3.73Å; Y77-Y300 HydrophobicContact CE2-CE1 4.42Å; T296-Y300 HydrophobicContact CG2-CD2 4.34Å; T296-Y300 HydrophobicContact CG2-CE2 4.16Å; T296-Y300 VanDerWaalsContact O-CD2 3.31Å; T296-Y300 WeakPolarHBondContact O-CD2 3.48Å; T296-Y300 PolarHBondContact O-N 2.92Å; G297-Y300 WeakPolarHBondContact O-CB 3.32Å; G297-Y300 PolarHBondContact O-N 3.1Å; G297-Y300 VanDerWaalsContact O-N 3.11Å; I298-Y300 VanDerWaalsContact C-N 3.33Å; I298-Y300 PolarHBondContact O-N 2.65Å; Y300-I383 HydrophobicContact CD1-CD1 4.4Å; Y300-I383 HydrophobicContact CD1-CG2 4.38Å; Y300-I383 HydrophobicContact CD2-CD1 3.32Å; Y300-I383 HydrophobicContact CE2-CD1 3.65Å; Y300-I383 HydrophobicContact CG-CD1 3.72Å; Y300-I383 HydrophobicContact CG-CG2 4.43Å |
| 301 | Y | 93.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 71.9 Ų | 71.9 | 0% | 0.004 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.2 | -45.7 | 177.4 | -179.3 | -127.6 | 0 | 0 | 0 | 113.1 | F72 P73 C76 G81 G82 G297 I298 M299 F362 F366 F369 | F72-Y301 WeakPolarHBondContact CE1-OH 3.48Å; P73-Y301 HydrophobicContact CB-CE2 4.41Å; C76-Y301 HydrophobicContact CB-CD2 4.12Å; C76-Y301 HydrophobicContact CB-CE2 3.62Å; C76-Y301 WeakPolarHBondContact SG-CE2 3.45Å; G81-Y301 CarbonylContact C-O 3.57Å; G81-Y301 WeakPolarHBondContact CA-O 3.46Å; G82-Y301 PolarHBondContact N-O 3.12Å; G297-Y301 PolarHBondContact O-N 3.13Å; I298-Y301 WeakPolarHBondContact O-CB 3.41Å; I298-Y301 PolarHBondContact O-N 2.69Å; I298-Y301 VanDerWaalsContact O-N 3.14Å; M299-Y301 PolarHBondContact O-N 3.11Å; Y301-F362 HydrophobicContact CE1-CD2 4.17Å; Y301-F362 AromaticContact CE1-CE2 3.94Å; Y301-F362 HydrophobicContact CE1-CE2 3.94Å; Y301-F362 AromaticContact CZ-CD2 3.95Å; Y301-F362 WeakPolarHBondContact OH-CA 3.19Å; Y301-F362 WeakPolarHBondContact OH-CD2 3.38Å; Y301-F362 PolarHBondContact OH-O 3.1Å; Y301-F362 VanDerWaalsContact OH-O 3.1Å; Y301-F366 HydrophobicContact CE1-CD2 4Å; Y301-F366 AromaticContact CE1-CE2 3.99Å; Y301-F366 HydrophobicContact CE1-CE2 3.99Å; Y301-F366 HydrophobicContact CE1-CG 4.41Å; Y301-F366 HydrophobicContact CE1-CZ 4.4Å; Y301-F369 AromaticContact CD2-CD2 3.69Å; Y301-F369 HydrophobicContact CD2-CD2 3.69Å; Y301-F369 AromaticContact CD2-CE2 3.82Å; Y301-F369 HydrophobicContact CD2-CE2 3.82Å; Y301-F369 HydrophobicContact CD2-CG 4.41Å; Y301-F369 HydrophobicContact CG-CB 4.45Å; Y301-F369 AromaticContact CG-CD2 3.83Å; Y301-F369 HydrophobicContact CG-CD2 3.83Å; Y301-F369 HydrophobicContact CG-CE2 4.37Å; Y301-F369 HydrophobicContact CG-CG 4.16Å |
| 302 | I | 93.7 | Very high | 92.5 | Very high | 63 Ų | 63 | 75.1 Ų | 75.1 | 32% | 0.323 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -98.8 | -21.7 | -169.7 | 71.9 | 178.1 | 0 | 0 | 0 | 114.4 | G82 I298 M299 P304 F366 | G82-I302 WeakPolarHBondContact CA-O 3.32Å; G82-I302 PolarHBondContact N-O 3.08Å; I298-I302 HydrophobicContact CG2-CD1 4.36Å; I298-I302 HydrophobicContact CG2-CG2 4.5Å; I298-I302 WeakPolarHBondContact O-CG1 3.19Å; I298-I302 PolarHBondContact O-N 3.34Å; M299-I302 HydrophobicContact CE-CD1 3.42Å; M299-I302 VanDerWaalsContact CE-CD1 3.42Å; M299-I302 HydrophobicContact CE-CG1 3.89Å; M299-I302 PolarHBondContact O-N 3.17Å; M299-I302 HydrophobicContact SD-CD1 4.39Å; I302-P304 VanDerWaalsContact O-CD 3.29Å; I302-P304 WeakPolarHBondContact O-CD 3.3Å; I302-F366 HydrophobicContact CG2-CE1 3.92Å; I302-F366 HydrophobicContact CG2-CZ 3.9Å |
| 303 | K | 93.8 | Very high | 92.3 | Very high | 153 Ų | 153 | 75.1 Ų | 75.1 | 67% | 0.665 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -65.9 | 116.9 | -176 | -176.7 | 177.3 | -179.8 | -178.1 | 0 | 109.6 | M299 | M299-K303 WeakPolarHBondContact O-CB 3.16Å; M299-K303 PolarHBondContact O-N 3.39Å |
| 304 | P | 95.1 | Very high | 92.4 | Very high | 64 Ų | 64 | 74.2 Ų | 74.2 | 42% | 0.416 | 36% | 0.358 | S | S | . | . | trans | -78 | 133.1 | -174 | 30.5 | -33.8 | 0 | 0 | 0 | 111.1 | A83 I302 F306 | A83-P304 HydrophobicContact CB-CB 4.17Å; I302-P304 VanDerWaalsContact O-CD 3.29Å; I302-P304 WeakPolarHBondContact O-CD 3.3Å; P304-F306 HydrophobicContact CB-CD2 4.39Å; P304-F306 HydrophobicContact CB-CE1 4.35Å; P304-F306 HydrophobicContact CB-CE2 3.84Å; P304-F306 HydrophobicContact CB-CZ 3.81Å; P304-F306 HydrophobicContact CG-CE2 3.87Å; P304-F306 HydrophobicContact CG-CZ 4.08Å | ||
| 305 | N | 94.2 | Very high | 92.5 | Very high | 71 Ų | 71 | 78.7 Ų | 78.7 | 38% | 0.38 | 37% | 0.374 | S | S | . | . | trans | -113.4 | 93.1 | 166.3 | -174.2 | 6.8 | 0 | 0 | 0 | 110.4 | G80 T307 R308 | G80-N305 PolarHBondContact O-N 3.3Å; N305-T307 PolarHBondContact O-N 2.95Å; N305-T307 PolarHBondContact OD1-N 3.33Å; N305-T307 PolarHBondContact OD1-OG1 3.07Å; N305-R308 HydrophobicContact CB-CG 4.41Å; N305-R308 WeakPolarHBondContact O-CB 3.17Å; N305-R308 PolarHBondContact O-N 3.41Å | ||
| 306 | F | 95.5 | Very high | 92.1 | Very high | 125 Ų | 125 | 71.3 Ų | 71.3 | 55% | 0.548 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -67.7 | -18.2 | -173.9 | -65.8 | -73.1 | 0 | 0 | 0 | 114.5 | A83 I86 P304 R308 L309 | A83-F306 HydrophobicContact CB-CD1 4.23Å; I86-F306 HydrophobicContact CD1-CD1 4.35Å; I86-F306 HydrophobicContact CD1-CE1 3.87Å; P304-F306 HydrophobicContact CB-CD2 4.39Å; P304-F306 HydrophobicContact CB-CE1 4.35Å; P304-F306 HydrophobicContact CB-CE2 3.84Å; P304-F306 HydrophobicContact CB-CZ 3.81Å; P304-F306 HydrophobicContact CG-CE2 3.87Å; P304-F306 HydrophobicContact CG-CZ 4.08Å; F306-R308 PolarHBondContact O-N 3.42Å; F306-L309 HydrophobicContact CD1-CD1 3.9Å; F306-L309 WeakPolarHBondContact O-CB 3.37Å; F306-L309 PolarHBondContact O-N 2.97Å |
| 307 | T | 96 | Very high | 92 | Very high | 92 Ų | 92 | 68.9 Ų | 68.9 | 56% | 0.564 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -65.9 | -28.3 | 177.8 | 60.2 | 0 | 0 | 0 | 0 | 112 | N305 L309 L310 | N305-T307 PolarHBondContact O-N 2.95Å; N305-T307 PolarHBondContact OD1-N 3.33Å; N305-T307 PolarHBondContact OD1-OG1 3.07Å; T307-L309 PolarHBondContact O-N 2.93Å; T307-L310 WeakPolarHBondContact O-CB 3.4Å; T307-L310 PolarHBondContact O-N 3.34Å |
| 308 | R | 91.9 | Very high | 92.1 | Very high | 92 Ų | 92 | 68.9 Ų | 68.9 | 35% | 0.347 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -60.9 | -27.7 | 175.2 | -69.6 | -60.1 | -161.7 | 171.6 | 4.4 | 112.9 | N305 F306 L310 E311 V314 | N305-R308 HydrophobicContact CB-CG 4.41Å; N305-R308 WeakPolarHBondContact O-CB 3.17Å; N305-R308 PolarHBondContact O-N 3.41Å; F306-R308 PolarHBondContact O-N 3.42Å; R308-L310 PolarHBondContact O-N 3.18Å; R308-L310 VanDerWaalsContact O-N 3.1Å; R308-E311 WeakPolarHBondContact CD-OE1 3.46Å; R308-E311 IonicContact CZ-OE1 3.51Å; R308-E311 IonicContact NE-OE1 3.75Å; R308-E311 IonicContact NH1-OE1 2.83Å; R308-E311 PolarHBondContact NH1-OE1 3.09Å; R308-E311 IonicContact NH1-OE2 3.72Å; R308-E311 PolarHBondContact NH1-OE2 3.37Å; R308-E311 WeakPolarHBondContact O-CB 3.4Å; R308-E311 PolarHBondContact O-N 2.97Å; R308-V314 HydrophobicContact CB-CG2 4.23Å; R308-V314 VanDerWaalsContact O-CG2 3.27Å; R308-V314 WeakPolarHBondContact O-CG2 3.27Å |
| 309 | L | 94.2 | Very high | 92 | Very high | 35 Ų | 35 | 68.1 Ų | 68.1 | 18% | 0.183 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -65 | -16.4 | -179.6 | -63.1 | -179.6 | 0 | 0 | 0 | 114.1 | A83 I86 P87 F306 T307 E311 V314 W315 | A83-L309 HydrophobicContact CB-CD2 4.42Å; A83-L309 HydrophobicContact CB-CG 4.38Å; I86-L309 HydrophobicContact CD1-CD1 3.96Å; P87-L309 HydrophobicContact CG-CD2 4.1Å; F306-L309 HydrophobicContact CD1-CD1 3.9Å; F306-L309 WeakPolarHBondContact O-CB 3.37Å; F306-L309 PolarHBondContact O-N 2.97Å; T307-L309 PolarHBondContact O-N 2.93Å; L309-E311 VanDerWaalsContact C-N 3.26Å; L309-V314 HydrophobicContact CD2-CG1 4.34Å; L309-W315 PolarHBondContact O-NE1 3.26Å |
| 310 | L | 94.5 | Very high | 91.7 | Very high | 150 Ų | 150 | 66.5 Ų | 66.5 | 79% | 0.785 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -74.8 | -17.4 | 174.8 | -60.7 | 174.8 | 0 | 0 | 0 | 112.4 | T307 R308 P312 | T307-L310 WeakPolarHBondContact O-CB 3.4Å; T307-L310 PolarHBondContact O-N 3.34Å; R308-L310 PolarHBondContact O-N 3.18Å; R308-L310 VanDerWaalsContact O-N 3.1Å; L310-P312 WeakPolarHBondContact O-CD 3.49Å |
| 311 | E | 89.6 | Confident | 91.9 | Very high | 73 Ų | 73 | 61.8 Ų | 61.8 | 34% | 0.341 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -85.3 | 122.8 | -177.3 | -62.3 | 176.2 | -142.4 | 0 | 0 | 110.8 | R308 L309 R313 V314 | R308-E311 WeakPolarHBondContact CD-OE1 3.46Å; R308-E311 IonicContact CZ-OE1 3.51Å; R308-E311 IonicContact NE-OE1 3.75Å; R308-E311 IonicContact NH1-OE1 2.83Å; R308-E311 PolarHBondContact NH1-OE1 3.09Å; R308-E311 IonicContact NH1-OE2 3.72Å; R308-E311 PolarHBondContact NH1-OE2 3.37Å; R308-E311 WeakPolarHBondContact O-CB 3.4Å; R308-E311 PolarHBondContact O-N 2.97Å; L309-E311 VanDerWaalsContact C-N 3.26Å; E311-R313 PolarHBondContact O-N 3.18Å; E311-R313 VanDerWaalsContact O-N 3.15Å; E311-V314 HydrophobicContact CB-CG2 4.06Å; E311-V314 WeakPolarHBondContact O-CB 3.31Å; E311-V314 PolarHBondContact O-N 3.49Å; E311-V314 VanDerWaalsContact O-N 3.15Å |
| 312 | P | 86.9 | Confident | 91.9 | Very high | 86 Ų | 86 | 61.8 Ų | 61.8 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.5 | -27.1 | 179.3 | -26.2 | 35.1 | 0 | 0 | 0 | 114 | L310 V314 W315 S316 | L310-P312 WeakPolarHBondContact O-CD 3.49Å; P312-V314 VanDerWaalsContact C-N 3.31Å; P312-V314 PolarHBondContact O-N 3.42Å; P312-W315 PolarHBondContact O-N 3.44Å; P312-S316 PolarHBondContact O-N 3.42Å; P312-S316 VanDerWaalsContact O-N 3.08Å |
| 313 | R | 86.6 | Confident | 91.8 | Very high | 138 Ų | 138 | 58.8 Ų | 58.8 | 52% | 0.521 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 177.4 | -175.2 | 174.9 | -180 | 175.6 | 0.2 | 112.2 | E311 W315 S316 D317 | E311-R313 PolarHBondContact O-N 3.18Å; E311-R313 VanDerWaalsContact O-N 3.15Å; R313-W315 VanDerWaalsContact C-N 3.28Å; R313-W315 PolarHBondContact O-N 3.07Å; R313-S316 WeakPolarHBondContact O-CB 3.05Å; R313-S316 PolarHBondContact O-N 3.25Å; R313-S316 VanDerWaalsContact O-N 3.11Å; R313-D317 PolarHBondContact O-N 3.44Å |
| 314 | V | 91 | Very high | 91.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 178.4 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | N79 F84 P87 R308 L309 E311 P312 A318 | N79-V314 HydrophobicContact CB-CB 4.37Å; N79-V314 HydrophobicContact CB-CG1 4.05Å; N79-V314 HydrophobicContact CB-CG2 3.89Å; N79-V314 WeakPolarHBondContact OD1-CG2 3.19Å; F84-V314 HydrophobicContact CD2-CG1 4.21Å; P87-V314 HydrophobicContact CG-CG1 4.05Å; R308-V314 HydrophobicContact CB-CG2 4.23Å; R308-V314 VanDerWaalsContact O-CG2 3.27Å; R308-V314 WeakPolarHBondContact O-CG2 3.27Å; L309-V314 HydrophobicContact CD2-CG1 4.34Å; E311-V314 HydrophobicContact CB-CG2 4.06Å; E311-V314 WeakPolarHBondContact O-CB 3.31Å; E311-V314 PolarHBondContact O-N 3.49Å; E311-V314 VanDerWaalsContact O-N 3.15Å; P312-V314 VanDerWaalsContact C-N 3.31Å; P312-V314 PolarHBondContact O-N 3.42Å; V314-A318 WeakPolarHBondContact O-CB 3.31Å; V314-A318 PolarHBondContact O-N 3.49Å; V314-A318 VanDerWaalsContact O-N 3.13Å |
| 315 | W | 92 | Very high | 91.3 | Very high | 97 Ų | 97 | 50 Ų | 50 | 37% | 0.367 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -71.3 | -39 | 176.4 | -68.2 | 82.7 | 0 | 0 | 0 | 112 | P87 F91 L309 P312 R313 A318 A319 | P87-W315 HydrophobicContact CB-CD2 3.66Å; P87-W315 HydrophobicContact CB-CE3 3.5Å; P87-W315 VanDerWaalsContact CB-CE3 3.5Å; P87-W315 HydrophobicContact CB-CG 4.25Å; P87-W315 HydrophobicContact CB-CH2 4.13Å; P87-W315 HydrophobicContact CB-CZ2 4.29Å; P87-W315 HydrophobicContact CB-CZ3 3.74Å; F91-W315 HydrophobicContact CE2-CB 4.18Å; F91-W315 AromaticContact CE2-CE3 3.72Å; F91-W315 HydrophobicContact CE2-CE3 3.72Å; F91-W315 WeakPolarHBondContact CE2-O 3.36Å; F91-W315 HydrophobicContact CZ-CB 4.46Å; F91-W315 HydrophobicContact CZ-CE3 4.11Å; L309-W315 PolarHBondContact O-NE1 3.26Å; P312-W315 PolarHBondContact O-N 3.44Å; R313-W315 VanDerWaalsContact C-N 3.28Å; R313-W315 PolarHBondContact O-N 3.07Å; W315-A318 PolarHBondContact O-N 2.93Å; W315-A319 WeakPolarHBondContact O-CB 3.26Å; W315-A319 PolarHBondContact O-N 3.33Å |
| 316 | S | 86.2 | Confident | 91.3 | Very high | 15 Ų | 15 | 46.6 Ų | 46.6 | 11% | 0.105 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 175.8 | -164.9 | 0 | 0 | 0 | 0 | 111.8 | P312 R313 A318 A319 F320 Q549 | P312-S316 PolarHBondContact O-N 3.42Å; P312-S316 VanDerWaalsContact O-N 3.08Å; R313-S316 WeakPolarHBondContact O-CB 3.05Å; R313-S316 PolarHBondContact O-N 3.25Å; R313-S316 VanDerWaalsContact O-N 3.11Å; S316-A318 VanDerWaalsContact C-N 3.35Å; S316-A318 PolarHBondContact O-N 2.62Å; S316-A319 PolarHBondContact O-N 2.87Å; S316-F320 WeakPolarHBondContact O-CB 3.33Å; S316-F320 PolarHBondContact O-N 3.38Å; S316-Q549 VanDerWaalsContact CB-OE1 3.26Å; S316-Q549 PolarHBondContact OG-OE1 3.44Å |
| 317 | D | 88.9 | Confident | 91 | Very high | 25 Ų | 25 | 40.8 Ų | 40.8 | 13% | 0.134 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.6 | -38.4 | 178.2 | -71.5 | -14.6 | 0 | 0 | 0 | 111.9 | L75 N79 F84 R313 F320 Q321 | L75-D317 HydrophobicContact CD2-CB 4.36Å; N79-D317 WeakPolarHBondContact ND2-CB 3.35Å; N79-D317 PolarHBondContact ND2-OD2 3.1Å; F84-D317 HydrophobicContact CE2-CB 4.33Å; R313-D317 PolarHBondContact O-N 3.44Å; D317-F320 PolarHBondContact O-N 3.24Å; D317-Q321 VanDerWaalsContact O-CB 3.32Å; D317-Q321 WeakPolarHBondContact O-CB 3.32Å; D317-Q321 PolarHBondContact O-N 3.46Å |
| 318 | A | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F84 P87 F91 V314 W315 S316 Q321 V322 | F84-A318 HydrophobicContact CD2-CB 4.42Å; F84-A318 HydrophobicContact CE2-CB 3.66Å; F84-A318 HydrophobicContact CZ-CB 3.89Å; P87-A318 HydrophobicContact CB-CB 3.83Å; P87-A318 HydrophobicContact CG-CB 4.12Å; F91-A318 HydrophobicContact CD2-CB 4.01Å; F91-A318 HydrophobicContact CE2-CB 4.32Å; V314-A318 WeakPolarHBondContact O-CB 3.31Å; V314-A318 PolarHBondContact O-N 3.49Å; V314-A318 VanDerWaalsContact O-N 3.13Å; W315-A318 PolarHBondContact O-N 2.93Å; S316-A318 VanDerWaalsContact C-N 3.35Å; S316-A318 PolarHBondContact O-N 2.62Å; A318-Q321 PolarHBondContact O-N 2.99Å; A318-V322 WeakPolarHBondContact O-CG2 3.16Å; A318-V322 PolarHBondContact O-N 3.37Å; A318-V322 VanDerWaalsContact O-N 3.1Å |
| 319 | A | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61 | -48.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F91 W315 S316 Q321 V322 F323 I542 | F91-A319 HydrophobicContact CD1-CB 3.95Å; F91-A319 HydrophobicContact CD2-CB 3.93Å; F91-A319 HydrophobicContact CE1-CB 3.88Å; F91-A319 HydrophobicContact CE2-CB 3.88Å; F91-A319 HydrophobicContact CG-CB 3.99Å; F91-A319 HydrophobicContact CZ-CB 3.85Å; W315-A319 WeakPolarHBondContact O-CB 3.26Å; W315-A319 PolarHBondContact O-N 3.33Å; S316-A319 PolarHBondContact O-N 2.87Å; A319-Q321 VanDerWaalsContact C-N 3.29Å; A319-Q321 PolarHBondContact O-N 2.91Å; A319-V322 PolarHBondContact O-N 3.4Å; A319-F323 WeakPolarHBondContact O-CD2 3.35Å; A319-F323 PolarHBondContact O-N 3.5Å; A319-F323 VanDerWaalsContact O-N 3.07Å; A319-I542 HydrophobicContact CB-CD1 3.62Å; A319-I542 HydrophobicContact CB-CG1 3.86Å; A319-I542 HydrophobicContact CB-CG2 4.34Å |
| 320 | F | 88.4 | Confident | 91 | Very high | 18 Ų | 18 | 30.8 Ų | 30.8 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -52.9 | -49.6 | 176.6 | -173.3 | -70.5 | 0 | 0 | 0 | 111.2 | S316 D317 V322 F323 F324 F488 | S316-F320 WeakPolarHBondContact O-CB 3.33Å; S316-F320 PolarHBondContact O-N 3.38Å; D317-F320 PolarHBondContact O-N 3.24Å; F320-V322 PolarHBondContact O-N 3.08Å; F320-F323 PolarHBondContact O-N 3.21Å; F320-F324 HydrophobicContact CD1-CB 4.48Å; F320-F324 AromaticContact CD1-CD2 3.46Å; F320-F324 HydrophobicContact CD1-CD2 3.46Å; F320-F324 VanDerWaalsContact CD1-CD2 3.46Å; F320-F324 AromaticContact CD1-CE2 3.9Å; F320-F324 HydrophobicContact CD1-CE2 3.9Å; F320-F324 HydrophobicContact CD1-CG 4.14Å; F320-F324 HydrophobicContact CD2-CD2 4.39Å; F320-F324 HydrophobicContact CD2-CE2 4.16Å; F320-F324 HydrophobicContact CE1-CB 4.27Å; F320-F324 HydrophobicContact CE1-CD1 4.21Å; F320-F324 AromaticContact CE1-CD2 3Å; F320-F324 HydrophobicContact CE1-CD2 3Å; F320-F324 HydrophobicContact CE1-CE1 4.3Å; F320-F324 AromaticContact CE1-CE2 3.13Å; F320-F324 HydrophobicContact CE1-CE2 3.13Å; F320-F324 AromaticContact CE1-CG 3.57Å; F320-F324 HydrophobicContact CE1-CG 3.57Å; F320-F324 AromaticContact CE1-CZ 3.78Å; F320-F324 HydrophobicContact CE1-CZ 3.78Å; F320-F324 HydrophobicContact CE2-CD2 4.12Å; F320-F324 AromaticContact CE2-CE2 3.54Å; F320-F324 HydrophobicContact CE2-CE2 3.54Å; F320-F324 HydrophobicContact CE2-CZ 4.24Å; F320-F324 HydrophobicContact CG-CD2 4.11Å; F320-F324 HydrophobicContact CG-CE2 4.33Å; F320-F324 AromaticContact CZ-CD2 3.43Å; F320-F324 HydrophobicContact CZ-CD2 3.43Å; F320-F324 VanDerWaalsContact CZ-CD2 3.43Å; F320-F324 HydrophobicContact CZ-CE1 4.27Å; F320-F324 AromaticContact CZ-CE2 2.95Å; F320-F324 HydrophobicContact CZ-CE2 2.95Å; F320-F324 HydrophobicContact CZ-CG 4.24Å; F320-F324 AromaticContact CZ-CZ 3.42Å; F320-F324 HydrophobicContact CZ-CZ 3.42Å; F320-F324 VanDerWaalsContact CZ-CZ 3.42Å; F320-F324 WeakPolarHBondContact O-CD2 3.22Å; F320-F324 PolarHBondContact O-N 3.27Å; F320-F488 HydrophobicContact CB-CE2 3.86Å; F320-F488 HydrophobicContact CB-CZ 3.91Å; F320-F488 HydrophobicContact CD2-CB 3.98Å; F320-F488 AromaticContact CD2-CD1 3.45Å; F320-F488 HydrophobicContact CD2-CD1 3.45Å; F320-F488 VanDerWaalsContact CD2-CD1 3.45Å; F320-F488 AromaticContact CD2-CD2 3.2Å; F320-F488 HydrophobicContact CD2-CD2 3.2Å; F320-F488 AromaticContact CD2-CE1 3.55Å; F320-F488 HydrophobicContact CD2-CE1 3.55Å; F320-F488 AromaticContact CD2-CE2 3.34Å; F320-F488 HydrophobicContact CD2-CE2 3.34Å; F320-F488 AromaticContact CD2-CG 3.25Å; F320-F488 HydrophobicContact CD2-CG 3.25Å; F320-F488 AromaticContact CD2-CZ 3.5Å; F320-F488 HydrophobicContact CD2-CZ 3.5Å; F320-F488 HydrophobicContact CE2-CB 3.34Å; F320-F488 AromaticContact CE2-CD1 3.64Å; F320-F488 HydrophobicContact CE2-CD1 3.64Å; F320-F488 AromaticContact CE2-CD2 3.46Å; F320-F488 HydrophobicContact CE2-CD2 3.46Å; F320-F488 VanDerWaalsContact CE2-CD2 3.46Å; F320-F488 HydrophobicContact CE2-CE1 4.22Å; F320-F488 HydrophobicContact CE2-CE2 4.1Å; F320-F488 AromaticContact CE2-CG 3.18Å; F320-F488 HydrophobicContact CE2-CG 3.18Å; F320-F488 HydrophobicContact CE2-CZ 4.44Å; F320-F488 AromaticContact CG-CD2 3.95Å; F320-F488 HydrophobicContact CG-CD2 3.95Å; F320-F488 AromaticContact CG-CE2 3.8Å; F320-F488 HydrophobicContact CG-CE2 3.8Å; F320-F488 HydrophobicContact CG-CG 4.38Å; F320-F488 HydrophobicContact CG-CZ 4.1Å; F320-F488 HydrophobicContact CZ-CB 4.1Å; F320-F488 HydrophobicContact CZ-CD2 4.32Å; F320-F488 HydrophobicContact CZ-CG 4.24Å |
| 321 | Q | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | -177.1 | -175.6 | 60.4 | 47.2 | 0 | 0 | 112.2 | S67 F72 L75 Y88 D317 A318 A319 F324 S325 | S67-Q321 PolarHBondContact O-NE2 3.17Å; F72-Q321 HydrophobicContact CB-CG 4.31Å; F72-Q321 HydrophobicContact CD2-CG 3.79Å; L75-Q321 HydrophobicContact CD1-CB 3.99Å; L75-Q321 HydrophobicContact CD1-CG 4.25Å; Y88-Q321 HydrophobicContact CD2-CB 4.5Å; Y88-Q321 HydrophobicContact CE2-CB 3.86Å; Y88-Q321 HydrophobicContact CE2-CG 3.6Å; D317-Q321 VanDerWaalsContact O-CB 3.32Å; D317-Q321 WeakPolarHBondContact O-CB 3.32Å; D317-Q321 PolarHBondContact O-N 3.46Å; A318-Q321 PolarHBondContact O-N 2.99Å; A319-Q321 VanDerWaalsContact C-N 3.29Å; A319-Q321 PolarHBondContact O-N 2.91Å; Q321-F324 PolarHBondContact O-N 2.93Å; Q321-S325 WeakPolarHBondContact O-CB 3.34Å; Q321-S325 PolarHBondContact O-N 3.31Å |
| 322 | V | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 174.7 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | Y88 F91 L92 A318 A319 F320 S325 L326 | Y88-V322 HydrophobicContact CD2-CG2 3.67Å; Y88-V322 HydrophobicContact CE2-CB 4.47Å; Y88-V322 HydrophobicContact CE2-CG2 3.43Å; Y88-V322 VanDerWaalsContact CE2-CG2 3.43Å; Y88-V322 HydrophobicContact CG-CG2 4.37Å; F91-V322 HydrophobicContact CB-CB 4.45Å; F91-V322 HydrophobicContact CB-CG2 4.05Å; L92-V322 HydrophobicContact CB-CG2 4.45Å; A318-V322 WeakPolarHBondContact O-CG2 3.16Å; A318-V322 PolarHBondContact O-N 3.37Å; A318-V322 VanDerWaalsContact O-N 3.1Å; A319-V322 PolarHBondContact O-N 3.4Å; F320-V322 PolarHBondContact O-N 3.08Å; V322-S325 PolarHBondContact O-N 2.44Å; V322-L326 HydrophobicContact CG1-CD1 4.02Å; V322-L326 PolarHBondContact O-N 3.13Å |
| 323 | F | 90.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -69 | -37.5 | -179.7 | -84.1 | -112.2 | 0 | 0 | 0 | 112.3 | C95 L99 A319 F320 G327 P328 V491 I492 C495 V539 I542 | C95-F323 HydrophobicContact CB-CE2 4.15Å; C95-F323 HydrophobicContact CB-CZ 4.36Å; L99-F323 HydrophobicContact CD1-CE1 3.67Å; L99-F323 HydrophobicContact CD1-CZ 3.62Å; A319-F323 WeakPolarHBondContact O-CD2 3.35Å; A319-F323 PolarHBondContact O-N 3.5Å; A319-F323 VanDerWaalsContact O-N 3.07Å; F320-F323 PolarHBondContact O-N 3.21Å; F323-G327 WeakPolarHBondContact O-CA 3.47Å; F323-G327 PolarHBondContact O-N 3.44Å; F323-G327 VanDerWaalsContact O-N 3.1Å; F323-P328 HydrophobicContact CD1-CG 3.88Å; F323-P328 HydrophobicContact CE1-CG 4.26Å; F323-P328 HydrophobicContact CG-CG 4.27Å; F323-P328 WeakPolarHBondContact O-CD 3.47Å; F323-V491 HydrophobicContact CD1-CG1 4.48Å; F323-I492 HydrophobicContact CD1-CD1 3.59Å; F323-I492 HydrophobicContact CE1-CD1 3.64Å; F323-I492 HydrophobicContact CG-CD1 4.09Å; F323-I492 HydrophobicContact CZ-CD1 4.17Å; F323-C495 HydrophobicContact CE1-CB 4.22Å; F323-V539 HydrophobicContact CE1-CG2 4.37Å; F323-V539 HydrophobicContact CZ-CG2 3.74Å; F323-I542 HydrophobicContact CE2-CD1 4.19Å |
| 324 | F | 87.5 | Confident | 92.4 | Very high | 32 Ų | 32 | 9.5 Ų | 9.5 | 14% | 0.14 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -75 | -31.6 | 175.1 | -91.7 | -96.4 | 0 | 0 | 0 | 113.3 | F320 Q321 W330 A487 F488 | F320-F324 HydrophobicContact CD1-CB 4.48Å; F320-F324 AromaticContact CD1-CD2 3.46Å; F320-F324 HydrophobicContact CD1-CD2 3.46Å; F320-F324 VanDerWaalsContact CD1-CD2 3.46Å; F320-F324 AromaticContact CD1-CE2 3.9Å; F320-F324 HydrophobicContact CD1-CE2 3.9Å; F320-F324 HydrophobicContact CD1-CG 4.14Å; F320-F324 HydrophobicContact CD2-CD2 4.39Å; F320-F324 HydrophobicContact CD2-CE2 4.16Å; F320-F324 HydrophobicContact CE1-CB 4.27Å; F320-F324 HydrophobicContact CE1-CD1 4.21Å; F320-F324 AromaticContact CE1-CD2 3Å; F320-F324 HydrophobicContact CE1-CD2 3Å; F320-F324 HydrophobicContact CE1-CE1 4.3Å; F320-F324 AromaticContact CE1-CE2 3.13Å; F320-F324 HydrophobicContact CE1-CE2 3.13Å; F320-F324 AromaticContact CE1-CG 3.57Å; F320-F324 HydrophobicContact CE1-CG 3.57Å; F320-F324 AromaticContact CE1-CZ 3.78Å; F320-F324 HydrophobicContact CE1-CZ 3.78Å; F320-F324 HydrophobicContact CE2-CD2 4.12Å; F320-F324 AromaticContact CE2-CE2 3.54Å; F320-F324 HydrophobicContact CE2-CE2 3.54Å; F320-F324 HydrophobicContact CE2-CZ 4.24Å; F320-F324 HydrophobicContact CG-CD2 4.11Å; F320-F324 HydrophobicContact CG-CE2 4.33Å; F320-F324 AromaticContact CZ-CD2 3.43Å; F320-F324 HydrophobicContact CZ-CD2 3.43Å; F320-F324 VanDerWaalsContact CZ-CD2 3.43Å; F320-F324 HydrophobicContact CZ-CE1 4.27Å; F320-F324 AromaticContact CZ-CE2 2.95Å; F320-F324 HydrophobicContact CZ-CE2 2.95Å; F320-F324 HydrophobicContact CZ-CG 4.24Å; F320-F324 AromaticContact CZ-CZ 3.42Å; F320-F324 HydrophobicContact CZ-CZ 3.42Å; F320-F324 VanDerWaalsContact CZ-CZ 3.42Å; F320-F324 WeakPolarHBondContact O-CD2 3.22Å; F320-F324 PolarHBondContact O-N 3.27Å; Q321-F324 PolarHBondContact O-N 2.93Å; F324-W330 HydrophobicContact CD1-CZ2 4.46Å; F324-W330 AromaticContact CE1-CZ2 3.93Å; F324-W330 HydrophobicContact CE1-CZ2 3.93Å; F324-W330 HydrophobicContact CZ-CZ2 4.11Å; F324-A487 HydrophobicContact CE1-CB 4.19Å; F324-A487 HydrophobicContact CZ-CB 3.67Å; F324-F488 HydrophobicContact CD2-CD2 4.32Å; F324-F488 HydrophobicContact CE2-CB 3.95Å; F324-F488 AromaticContact CE2-CD2 3.78Å; F324-F488 HydrophobicContact CE2-CD2 3.78Å; F324-F488 HydrophobicContact CE2-CG 4.27Å; F324-F488 HydrophobicContact CZ-CB 4.39Å |
| 325 | S | 91.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.007 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -70.3 | -57.8 | 177.1 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | S63 N68 Q321 V322 G327 E358 | S63-S325 WeakPolarHBondContact CA-O 3.14Å; S63-S325 WeakPolarHBondContact CB-O 3.28Å; S63-S325 PolarHBondContact OG-O 2.96Å; N68-S325 WeakPolarHBondContact ND2-CB 3.49Å; N68-S325 PolarHBondContact ND2-OG 2.91Å; Q321-S325 WeakPolarHBondContact O-CB 3.34Å; Q321-S325 PolarHBondContact O-N 3.31Å; V322-S325 PolarHBondContact O-N 2.44Å; S325-G327 VanDerWaalsContact C-N 3.33Å; S325-G327 PolarHBondContact O-N 3.15Å; S325-E358 VanDerWaalsContact CB-OE1 3.23Å; S325-E358 WeakPolarHBondContact CB-OE1 3.49Å; S325-E358 VanDerWaalsContact OG-CD 3.24Å; S325-E358 PolarHBondContact OG-OE1 3.36Å; S325-E358 PolarHBondContact OG-OE2 3.43Å |
| 326 | L | 92.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -77.3 | -22.6 | -175.4 | -61.8 | -177.6 | 0 | 0 | 0 | 113.1 | L92 G96 F100 V322 P328 L333 P354 M357 | L92-L326 HydrophobicContact CD1-CD1 3.76Å; G96-L326 VanDerWaalsContact CA-CD1 3.49Å; F100-L326 HydrophobicContact CD2-CB 4.46Å; V322-L326 HydrophobicContact CG1-CD1 4.02Å; V322-L326 PolarHBondContact O-N 3.13Å; L326-P328 VanDerWaalsContact C-CD 3.41Å; L326-L333 WeakPolarHBondContact O-CD2 3.49Å; L326-P354 HydrophobicContact CD1-CB 4.17Å; L326-P354 HydrophobicContact CD2-CB 3.69Å; L326-P354 HydrophobicContact CD2-CG 4.16Å; L326-M357 HydrophobicContact CD2-CB 4.34Å; L326-M357 HydrophobicContact CD2-SD 3.76Å |
| 327 | G | 90.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 4.2 Ų | 4.2 | 2% | 0.021 | 2% | 0.02 | C | C | . | . | trans | 70 | 32.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | F323 S325 | F323-G327 WeakPolarHBondContact O-CA 3.47Å; F323-G327 PolarHBondContact O-N 3.44Å; F323-G327 VanDerWaalsContact O-N 3.1Å; S325-G327 VanDerWaalsContact C-N 3.33Å; S325-G327 PolarHBondContact O-N 3.15Å | ||
| 328 | P | 93.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 3.2 Ų | 3.2 | 1% | 0.006 | 2% | 0.015 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 149.3 | 166.4 | 30.8 | -37 | 0 | 0 | 0 | 111.6 | L99 E103 F323 L326 W330 L333 V491 | L99-P328 HydrophobicContact CB-CB 3.79Å; L99-P328 HydrophobicContact CB-CG 4.37Å; L99-P328 HydrophobicContact CD1-CB 4.07Å; L99-P328 HydrophobicContact CD1-CG 4.16Å; L99-P328 HydrophobicContact CG-CB 4.49Å; E103-P328 WeakPolarHBondContact OE1-CA 3.25Å; E103-P328 WeakPolarHBondContact OE1-CB 3.45Å; F323-P328 HydrophobicContact CD1-CG 3.88Å; F323-P328 HydrophobicContact CE1-CG 4.26Å; F323-P328 HydrophobicContact CG-CG 4.27Å; F323-P328 WeakPolarHBondContact O-CD 3.47Å; L326-P328 VanDerWaalsContact C-CD 3.41Å; P328-W330 VanDerWaalsContact O-CD1 3.29Å; P328-W330 PolarHBondContact O-N 3.16Å; P328-L333 HydrophobicContact CB-CD1 4.41Å; P328-V491 VanDerWaalsContact O-CG1 3.23Å; P328-V491 WeakPolarHBondContact O-CG1 3.15Å |
| 329 | G | 93.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.016 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | -4.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | E103 T131 I494 | E103-G329 PolarHBondContact OE1-N 2.88Å; T131-G329 WeakPolarHBondContact CG2-O 3.09Å; G329-I494 WeakPolarHBondContact O-CD1 3.23Å |
| 330 | W | 94.2 | Very high | 93.8 | Very high | 8 Ų | 8 | 3.7 Ų | 3.7 | 3% | 0.03 | 2% | 0.018 | C | C | . | . | S | Bend | trans | -90.9 | -8.9 | 174.7 | -64.5 | 95 | 0 | 0 | 0 | 113 | Y62 T131 I134 T135 V138 F324 P328 G332 A487 V491 | Y62-W330 VanDerWaalsContact OH-CB 3.25Å; Y62-W330 WeakPolarHBondContact OH-CB 3.32Å; T131-W330 WeakPolarHBondContact CG2-O 3.45Å; I134-W330 HydrophobicContact CB-CZ3 4.47Å; I134-W330 HydrophobicContact CG1-CH2 4.15Å; I134-W330 HydrophobicContact CG1-CZ3 3.77Å; I134-W330 HydrophobicContact CG2-CE3 4.32Å; I134-W330 HydrophobicContact CG2-CZ3 4.17Å; T135-W330 PolarHBondContact OG1-O 3.41Å; V138-W330 HydrophobicContact CB-CH2 4.34Å; V138-W330 HydrophobicContact CB-CZ3 3.96Å; V138-W330 HydrophobicContact CG1-CZ3 4.41Å; V138-W330 HydrophobicContact CG2-CH2 3.48Å; V138-W330 VanDerWaalsContact CG2-CH2 3.48Å; V138-W330 HydrophobicContact CG2-CZ3 3.42Å; V138-W330 VanDerWaalsContact CG2-CZ3 3.42Å; F324-W330 HydrophobicContact CD1-CZ2 4.46Å; F324-W330 AromaticContact CE1-CZ2 3.93Å; F324-W330 HydrophobicContact CE1-CZ2 3.93Å; F324-W330 HydrophobicContact CZ-CZ2 4.11Å; P328-W330 VanDerWaalsContact O-CD1 3.29Å; P328-W330 PolarHBondContact O-N 3.16Å; W330-G332 PolarHBondContact O-N 3Å; W330-A487 HydrophobicContact CH2-CB 3.66Å; W330-A487 HydrophobicContact CZ2-CB 4.12Å; W330-V491 HydrophobicContact CD2-CG2 3.88Å; W330-V491 HydrophobicContact CE3-CG2 4.25Å; W330-V491 HydrophobicContact CH2-CG2 3.73Å; W330-V491 HydrophobicContact CZ2-CG2 3.36Å; W330-V491 HydrophobicContact CZ3-CG2 4.18Å |
| 331 | G | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 4% | 0.042 | C | C | . | . | S | Bend | trans | 72.8 | -5.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I334 T335 | G331-I334 PolarHBondContact O-N 3.24Å; G331-T335 WeakPolarHBondContact O-CB 3.48Å; G331-T335 PolarHBondContact O-N 3.25Å; G331-T335 PolarHBondContact O-OG1 3.47Å |
| 332 | G | 95.9 | Very high | 94 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.01 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W330 I334 T335 M336 T433 | W330-G332 PolarHBondContact O-N 3Å; G332-I334 PolarHBondContact O-N 3.1Å; G332-T335 PolarHBondContact O-N 2.72Å; G332-M336 WeakPolarHBondContact O-CB 3.35Å; G332-M336 VanDerWaalsContact O-CG 3.27Å; G332-M336 WeakPolarHBondContact O-CG 3.22Å; G332-M336 PolarHBondContact O-N 3.09Å; G332-T433 WeakPolarHBondContact CA-OG1 3.48Å |
| 333 | L | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 178.8 | -58 | -176.9 | 0 | 0 | 0 | 111.9 | M59 Y62 F100 E103 L326 P328 G337 | M59-L333 HydrophobicContact CE-CD2 3.34Å; M59-L333 HydrophobicContact SD-CD2 4.42Å; Y62-L333 HydrophobicContact CD1-CD2 4.42Å; Y62-L333 HydrophobicContact CE1-CD2 4.16Å; F100-L333 HydrophobicContact CB-CD1 4.38Å; F100-L333 HydrophobicContact CD2-CD1 3.74Å; F100-L333 HydrophobicContact CD2-CD2 3.72Å; F100-L333 HydrophobicContact CD2-CG 4.4Å; F100-L333 HydrophobicContact CE2-CD1 4.35Å; F100-L333 HydrophobicContact CE2-CD2 3.45Å; F100-L333 VanDerWaalsContact CE2-CD2 3.45Å; F100-L333 HydrophobicContact CG-CD1 4.21Å; F100-L333 HydrophobicContact CZ-CD2 4.16Å; E103-L333 HydrophobicContact CB-CB 3.83Å; E103-L333 HydrophobicContact CB-CD1 4.3Å; L326-L333 WeakPolarHBondContact O-CD2 3.49Å; P328-L333 HydrophobicContact CB-CD1 4.41Å; L333-G337 PolarHBondContact O-N 2.95Å |
| 334 | I | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.4 | -48.8 | 176.1 | -53.9 | -178 | 0 | 0 | 0 | 110.1 | E103 G107 A114 M117 G331 G332 G337 S338 | E103-I334 HydrophobicContact CB-CD1 4.4Å; E103-I334 HydrophobicContact CB-CG1 3.65Å; E103-I334 HydrophobicContact CG-CD1 4.1Å; E103-I334 HydrophobicContact CG-CG1 3.87Å; G107-I334 VanDerWaalsContact CA-O 3.3Å; G107-I334 WeakPolarHBondContact CA-O 3.39Å; A114-I334 HydrophobicContact CB-CB 4.24Å; A114-I334 HydrophobicContact CB-CD1 4.23Å; A114-I334 HydrophobicContact CB-CG2 4.38Å; M117-I334 HydrophobicContact CE-CD1 3.34Å; M117-I334 HydrophobicContact SD-CD1 3.91Å; M117-I334 HydrophobicContact SD-CG2 4.11Å; G331-I334 PolarHBondContact O-N 3.24Å; G332-I334 PolarHBondContact O-N 3.1Å; I334-G337 PolarHBondContact O-N 3.49Å; I334-S338 VanDerWaalsContact O-CB 3.32Å; I334-S338 WeakPolarHBondContact O-CB 3.4Å; I334-S338 PolarHBondContact O-N 3.2Å |
| 335 | T | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.1 | -50 | -177.3 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | G331 G332 G337 S338 Y339 E432 T433 T436 | G331-T335 WeakPolarHBondContact O-CB 3.48Å; G331-T335 PolarHBondContact O-N 3.25Å; G331-T335 PolarHBondContact O-OG1 3.47Å; G332-T335 PolarHBondContact O-N 2.72Å; T335-G337 PolarHBondContact O-N 3.25Å; T335-S338 WeakPolarHBondContact O-CB 3.25Å; T335-S338 PolarHBondContact O-N 3.18Å; T335-S338 VanDerWaalsContact O-N 3.12Å; T335-S338 PolarHBondContact O-OG 2.91Å; T335-Y339 HydrophobicContact CG2-CE2 4.02Å; T335-Y339 VanDerWaalsContact O-CD2 3.22Å; T335-Y339 WeakPolarHBondContact O-CD2 3.27Å; T335-E432 HydrophobicContact CG2-CG 4.46Å; T335-T433 WeakPolarHBondContact OG1-CG2 3.32Å; T335-T436 HydrophobicContact CG2-CG2 4.22Å |
| 336 | M | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.3 | -38.3 | -179 | -66 | -58.5 | 151.6 | 0 | 0 | 111.9 | W49 Y55 M59 G332 S338 Y339 V429 E432 | W49-M336 HydrophobicContact CH2-SD 3.68Å; W49-M336 HydrophobicContact CZ2-CB 4.34Å; W49-M336 HydrophobicContact CZ2-SD 3.46Å; W49-M336 WeakPolarHBondContact CZ2-SD 3.25Å; W49-M336 PolarHBondContact NE1-O 2.98Å; Y55-M336 HydrophobicContact CD2-CB 4.46Å; Y55-M336 HydrophobicContact CE2-CB 4.17Å; M59-M336 HydrophobicContact SD-CB 3.44Å; M59-M336 WeakPolarHBondContact SD-CB 3.48Å; M59-M336 HydrophobicContact SD-CG 4.04Å; G332-M336 WeakPolarHBondContact O-CB 3.35Å; G332-M336 VanDerWaalsContact O-CG 3.27Å; G332-M336 WeakPolarHBondContact O-CG 3.22Å; G332-M336 PolarHBondContact O-N 3.09Å; M336-S338 VanDerWaalsContact C-N 3.27Å; M336-S338 PolarHBondContact O-N 3.41Å; M336-Y339 PolarHBondContact O-N 3.31Å; M336-V429 HydrophobicContact CE-CB 3.83Å; M336-V429 HydrophobicContact CE-CG1 3.61Å; M336-V429 HydrophobicContact CE-CG2 3.62Å; M336-V429 HydrophobicContact CG-CG1 4.09Å; M336-V429 HydrophobicContact SD-CG2 4.37Å; M336-E432 HydrophobicContact CE-CB 3.76Å; M336-E432 HydrophobicContact CE-CG 3.65Å |
| 337 | G | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.2 | -35.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q108 L333 I334 T335 Y339 N340 | Q108-G337 VanDerWaalsContact CA-O 3.26Å; Q108-G337 WeakPolarHBondContact CA-O 3.18Å; Q108-G337 WeakPolarHBondContact CB-O 3.27Å; Q108-G337 PolarHBondContact N-O 2.98Å; L333-G337 PolarHBondContact O-N 2.95Å; I334-G337 PolarHBondContact O-N 3.49Å; T335-G337 PolarHBondContact O-N 3.25Å; G337-Y339 PolarHBondContact O-N 3.04Å; G337-N340 VanDerWaalsContact O-CB 3.27Å; G337-N340 WeakPolarHBondContact O-CB 3.4Å; G337-N340 PolarHBondContact O-N 2.98Å |
| 338 | S | 95.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.028 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.6 | -16.4 | -177.5 | 80.6 | 0 | 0 | 0 | 0 | 115.7 | R46 G107 R112 I334 T335 M336 | R46-S338 PolarHBondContact NH1-OG 3.15Å; R46-S338 PolarHBondContact NH2-OG 2.86Å; G107-S338 VanDerWaalsContact C-CA 3.46Å; G107-S338 WeakPolarHBondContact O-CA 3.29Å; G107-S338 WeakPolarHBondContact O-CB 3.46Å; R112-S338 VanDerWaalsContact O-CB 3.25Å; R112-S338 WeakPolarHBondContact O-CB 3.19Å; I334-S338 VanDerWaalsContact O-CB 3.32Å; I334-S338 WeakPolarHBondContact O-CB 3.4Å; I334-S338 PolarHBondContact O-N 3.2Å; T335-S338 WeakPolarHBondContact O-CB 3.25Å; T335-S338 PolarHBondContact O-N 3.18Å; T335-S338 VanDerWaalsContact O-N 3.12Å; T335-S338 PolarHBondContact O-OG 2.91Å; M336-S338 VanDerWaalsContact C-N 3.27Å; M336-S338 PolarHBondContact O-N 3.41Å |
| 339 | Y | 95.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 2% | 0.02 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -4 | 174.4 | -70.8 | -73.4 | 0 | 0 | 0 | 113 | R46 G47 Q48 W49 V263 T335 M336 G337 E432 T436 | R46-Y339 HydrophobicContact CB-CE1 4.24Å; G47-Y339 WeakPolarHBondContact O-CD1 3.38Å; Q48-Y339 VanDerWaalsContact CA-O 3.29Å; Q48-Y339 WeakPolarHBondContact CA-O 3.04Å; Q48-Y339 WeakPolarHBondContact CB-O 3.45Å; W49-Y339 PolarHBondContact N-O 2.93Å; V263-Y339 HydrophobicContact CB-CG 4.47Å; V263-Y339 HydrophobicContact CG1-CD1 4.18Å; V263-Y339 HydrophobicContact CG1-CD2 3.48Å; V263-Y339 VanDerWaalsContact CG1-CD2 3.48Å; V263-Y339 HydrophobicContact CG1-CE1 4.23Å; V263-Y339 HydrophobicContact CG1-CE2 3.52Å; V263-Y339 HydrophobicContact CG1-CG 3.81Å; V263-Y339 HydrophobicContact CG2-CD1 3.78Å; V263-Y339 HydrophobicContact CG2-CE1 4Å; V263-Y339 HydrophobicContact CG2-CG 4.07Å; T335-Y339 HydrophobicContact CG2-CE2 4.02Å; T335-Y339 VanDerWaalsContact O-CD2 3.22Å; T335-Y339 WeakPolarHBondContact O-CD2 3.27Å; M336-Y339 PolarHBondContact O-N 3.31Å; G337-Y339 PolarHBondContact O-N 3.04Å; Y339-E432 HydrophobicContact CE2-CG 4.48Å; Y339-E432 PolarHBondContact OH-OE1 2.86Å; Y339-T436 HydrophobicContact CE2-CG2 4.33Å; Y339-T436 WeakPolarHBondContact OH-CG2 3.39Å; Y339-T436 PolarHBondContact OH-OG1 3.32Å |
| 340 | N | 95.1 | Very high | 94.9 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.032 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -68.8 | 155.8 | 174.2 | -77.8 | -29.4 | 0 | 0 | 0 | 111.5 | Y55 Q108 G337 N344 | Y55-N340 WeakPolarHBondContact CD1-OD1 3.3Å; Y55-N340 VanDerWaalsContact CE1-ND2 3.33Å; Y55-N340 WeakPolarHBondContact CE1-ND2 3.46Å; Y55-N340 WeakPolarHBondContact CE2-ND2 3.07Å; Y55-N340 VanDerWaalsContact CZ-ND2 3.26Å; Q108-N340 HydrophobicContact CG-CB 3.91Å; Q108-N340 PolarHBondContact OE1-ND2 3.49Å; G337-N340 VanDerWaalsContact O-CB 3.27Å; G337-N340 WeakPolarHBondContact O-CB 3.4Å; G337-N340 PolarHBondContact O-N 2.98Å; N340-N344 HydrophobicContact CB-CB 4.21Å |
| 341 | R | 92.6 | Very high | 94.9 | Very high | 157 Ų | 157 | 31.3 Ų | 31.3 | 59% | 0.592 | 14% | 0.135 | S | C | * | . | trans | -60.6 | 142.2 | 164 | -63.5 | -179.1 | -175.4 | -130.4 | 0.1 | 108.7 | D343 N344 | R341-D343 PolarHBondContact O-N 3.14Å; R341-N344 VanDerWaalsContact O-CB 3.31Å; R341-N344 WeakPolarHBondContact O-CB 3.48Å; R341-N344 PolarHBondContact O-N 2.88Å | ||
| 342 | F | 92.3 | Very high | 94.9 | Very high | 37 Ų | 37 | 35.2 Ų | 35.2 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -40.5 | -175.7 | -173.9 | -99.9 | 0 | 0 | 0 | 112.5 | Q108 F109 N344 F517 M518 P613 T618 | Q108-F342 PolarHBondContact NE2-O 2.99Å; F109-F342 AromaticContact CD2-CE2 3.82Å; F109-F342 HydrophobicContact CD2-CE2 3.82Å; F109-F342 AromaticContact CD2-CZ 3.89Å; F109-F342 HydrophobicContact CD2-CZ 3.89Å; F109-F342 HydrophobicContact CE2-CE2 4.29Å; F109-F342 HydrophobicContact CE2-CZ 4.06Å; F109-F342 WeakPolarHBondContact O-CE2 3.46Å; F342-N344 PolarHBondContact O-N 3.37Å; F342-F517 AromaticContact CE1-CD1 3.95Å; F342-F517 HydrophobicContact CE1-CD1 3.95Å; F342-F517 AromaticContact CE1-CE1 3.68Å; F342-F517 HydrophobicContact CE1-CE1 3.68Å; F342-F517 AromaticContact CZ-CD1 3.98Å; F342-F517 HydrophobicContact CZ-CD1 3.98Å; F342-F517 AromaticContact CZ-CE1 3.85Å; F342-F517 HydrophobicContact CZ-CE1 3.85Å; F342-M518 HydrophobicContact CD1-CG 4.14Å; F342-M518 HydrophobicContact CD2-CG 4.32Å; F342-M518 HydrophobicContact CE1-CB 4.06Å; F342-M518 HydrophobicContact CE1-CG 3.95Å; F342-M518 HydrophobicContact CE2-CG 4.13Å; F342-M518 HydrophobicContact CE2-SD 4.5Å; F342-M518 HydrophobicContact CG-CG 4.33Å; F342-M518 HydrophobicContact CZ-CB 4.01Å; F342-M518 HydrophobicContact CZ-CG 3.95Å; F342-M518 WeakPolarHBondContact O-CG 3.41Å; F342-P613 HydrophobicContact CE2-CB 3.85Å; F342-P613 HydrophobicContact CE2-CG 3.79Å; F342-P613 HydrophobicContact CZ-CB 4.33Å; F342-P613 HydrophobicContact CZ-CG 3.88Å; F342-T618 HydrophobicContact CD1-CG2 3.6Å; F342-T618 HydrophobicContact CD2-CG2 4.11Å; F342-T618 HydrophobicContact CE1-CG2 3.32Å; F342-T618 HydrophobicContact CE2-CG2 3.87Å; F342-T618 HydrophobicContact CG-CG2 3.98Å; F342-T618 HydrophobicContact CZ-CG2 3.48Å; F342-T618 VanDerWaalsContact CZ-CG2 3.48Å |
| 343 | D | 91.6 | Very high | 94.9 | Very high | 88 Ų | 88 | 35.2 Ų | 35.2 | 47% | 0.471 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 15.4 | -178.7 | 67.1 | -19.1 | 0 | 0 | 0 | 114.7 | R341 M518 K520 | R341-D343 PolarHBondContact O-N 3.14Å; D343-M518 WeakPolarHBondContact CA-O 3.44Å; D343-K520 IonicContact OD2-NZ 3.94Å |
| 344 | N | 93.3 | Very high | 94.8 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 12% | 0.118 | 16% | 0.155 | C | C | . | . | trans | -61.5 | 142.9 | 173.6 | 174.8 | 60.7 | 0 | 0 | 0 | 110.6 | K52 Q108 N340 R341 F342 C346 D349 | K52-N344 PolarHBondContact NZ-OD1 2.74Å; Q108-N344 PolarHBondContact NE2-O 2.86Å; Q108-N344 PolarHBondContact OE1-ND2 2.64Å; N340-N344 HydrophobicContact CB-CB 4.21Å; R341-N344 VanDerWaalsContact O-CB 3.31Å; R341-N344 WeakPolarHBondContact O-CB 3.48Å; R341-N344 PolarHBondContact O-N 2.88Å; F342-N344 PolarHBondContact O-N 3.37Å; N344-C346 VanDerWaalsContact C-N 3.26Å; N344-C346 PolarHBondContact O-N 2.95Å; N344-D349 PolarHBondContact ND2-OD2 3.02Å | ||
| 345 | N | 94.3 | Very high | 94.7 | Very high | 29 Ų | 29 | 39.8 Ų | 39.8 | 16% | 0.155 | 18% | 0.179 | C | C | . | . | trans | -77.9 | 74.5 | -178 | -171.9 | -1.4 | 0 | 0 | 0 | 111.5 | L347 R348 D349 K521 | N345-L347 VanDerWaalsContact C-N 3.26Å; N345-L347 PolarHBondContact O-N 2.98Å; N345-R348 HydrophobicContact CB-CB 4.36Å; N345-R348 PolarHBondContact O-N 3.33Å; N345-R348 PolarHBondContact OD1-N 3.36Å; N345-D349 PolarHBondContact O-N 2.9Å; N345-K521 PolarHBondContact ND2-NZ 3.26Å; N345-K521 VanDerWaalsContact ND2-NZ 3.18Å | ||
| 346 | C | 93.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61 | -30.6 | -179.6 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | S105 N344 D349 S350 M518 T519 | S105-C346 PolarHBondContact OG-SG 3.28Å; N344-C346 VanDerWaalsContact C-N 3.26Å; N344-C346 PolarHBondContact O-N 2.95Å; C346-D349 PolarHBondContact O-N 2.88Å; C346-S350 WeakPolarHBondContact O-CB 3.46Å; C346-S350 PolarHBondContact O-N 3.48Å; C346-S350 PolarHBondContact O-OG 3.32Å; C346-M518 HydrophobicContact CB-CE 4.47Å; C346-M518 WeakPolarHBondContact SG-CE 3.43Å; C346-T519 VanDerWaalsContact SG-CG2 3.58Å |
| 347 | L | 94.3 | Very high | 94.4 | Very high | 38 Ų | 38 | 42.1 Ų | 42.1 | 20% | 0.199 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | 175.5 | 179.7 | 71.6 | 0 | 0 | 0 | 112.1 | F101 N345 D349 S350 Y351 L523 W527 | F101-L347 HydrophobicContact CD1-CD1 4.34Å; F101-L347 HydrophobicContact CD2-CD1 4.44Å; F101-L347 HydrophobicContact CE1-CD1 3.97Å; F101-L347 HydrophobicContact CE2-CB 4.03Å; F101-L347 HydrophobicContact CE2-CD1 4.07Å; F101-L347 HydrophobicContact CZ-CB 4.32Å; F101-L347 HydrophobicContact CZ-CD1 3.84Å; N345-L347 VanDerWaalsContact C-N 3.26Å; N345-L347 PolarHBondContact O-N 2.98Å; L347-D349 VanDerWaalsContact C-N 3.31Å; L347-S350 PolarHBondContact O-OG 3.1Å; L347-Y351 HydrophobicContact CD1-CE2 3.96Å; L347-Y351 HydrophobicContact CG-CE2 4.13Å; L347-Y351 WeakPolarHBondContact O-CD2 3.47Å; L347-L523 HydrophobicContact CB-CD2 4.44Å; L347-L523 HydrophobicContact CD1-CD2 4.44Å; L347-L523 HydrophobicContact CD2-CD2 3.65Å; L347-L523 HydrophobicContact CG-CD2 4.38Å; L347-W527 HydrophobicContact CD1-CZ2 3.63Å |
| 348 | R | 95 | Very high | 94.2 | Very high | 149 Ų | 149 | 42.7 Ų | 42.7 | 56% | 0.562 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -64.8 | -44.2 | 175 | 175.8 | -176.5 | -70.4 | -175.1 | -2.4 | 109.9 | N345 S350 Y351 I352 | N345-R348 HydrophobicContact CB-CB 4.36Å; N345-R348 PolarHBondContact O-N 3.33Å; N345-R348 PolarHBondContact OD1-N 3.36Å; R348-S350 VanDerWaalsContact C-N 3.27Å; R348-S350 PolarHBondContact O-N 3.23Å; R348-Y351 PolarHBondContact O-N 3.23Å; R348-I352 HydrophobicContact CG-CD1 3.52Å; R348-I352 HydrophobicContact CG-CG1 4.21Å; R348-I352 WeakPolarHBondContact O-CG1 3.44Å; R348-I352 PolarHBondContact O-N 3.34Å; R348-I352 VanDerWaalsContact O-N 3.08Å |
| 349 | D | 95.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.9 | -35.1 | -176.6 | -59.1 | -14.4 | 0 | 0 | 0 | 110.5 | K52 Y55 L56 N344 N345 C346 L347 Y351 I352 L353 | K52-D349 WeakPolarHBondContact CE-OD1 3.29Å; K52-D349 VanDerWaalsContact NZ-CG 3.34Å; K52-D349 IonicContact NZ-OD1 2.85Å; K52-D349 PolarHBondContact NZ-OD1 3.07Å; K52-D349 IonicContact NZ-OD2 2.84Å; K52-D349 PolarHBondContact NZ-OD2 3.36Å; K52-D349 VanDerWaalsContact NZ-OD2 3.07Å; Y55-D349 HydrophobicContact CE1-CB 4.3Å; L56-D349 HydrophobicContact CD2-CB 4.45Å; N344-D349 PolarHBondContact ND2-OD2 3.02Å; N345-D349 PolarHBondContact O-N 2.9Å; C346-D349 PolarHBondContact O-N 2.88Å; L347-D349 VanDerWaalsContact C-N 3.31Å; D349-Y351 VanDerWaalsContact C-N 3.26Å; D349-Y351 PolarHBondContact O-N 3.29Å; D349-I352 PolarHBondContact O-N 2.89Å; D349-L353 HydrophobicContact CB-CD1 4.1Å; D349-L353 VanDerWaalsContact O-CB 3.25Å; D349-L353 WeakPolarHBondContact O-CB 3.49Å; D349-L353 WeakPolarHBondContact O-CG 3.26Å; D349-L353 PolarHBondContact O-N 3.2Å |
| 350 | S | 94.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.9 | -14.6 | 176.6 | 67.4 | 0 | 0 | 0 | 0 | 115.4 | C346 L347 R348 P354 | C346-S350 WeakPolarHBondContact O-CB 3.46Å; C346-S350 PolarHBondContact O-N 3.48Å; C346-S350 PolarHBondContact O-OG 3.32Å; L347-S350 PolarHBondContact O-OG 3.1Å; R348-S350 VanDerWaalsContact C-N 3.27Å; R348-S350 PolarHBondContact O-N 3.23Å; S350-P354 VanDerWaalsContact O-CD 3.28Å; S350-P354 WeakPolarHBondContact O-CD 3.49Å; S350-P354 VanDerWaalsContact O-CG 3.3Å; S350-P354 WeakPolarHBondContact O-CG 3.1Å |
| 351 | Y | 94.7 | Very high | 94.1 | Very high | 116 Ų | 116 | 47 Ų | 47 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -93.1 | -46.6 | 168.9 | -72 | -63.1 | 0 | 0 | 0 | 111.6 | I97 L347 R348 D349 L355 W527 | I97-Y351 HydrophobicContact CG2-CD1 4.25Å; I97-Y351 HydrophobicContact CG2-CE1 4.27Å; L347-Y351 HydrophobicContact CD1-CE2 3.96Å; L347-Y351 HydrophobicContact CG-CE2 4.13Å; L347-Y351 WeakPolarHBondContact O-CD2 3.47Å; R348-Y351 PolarHBondContact O-N 3.23Å; D349-Y351 VanDerWaalsContact C-N 3.26Å; D349-Y351 PolarHBondContact O-N 3.29Å; Y351-L355 VanDerWaalsContact O-CB 3.22Å; Y351-L355 WeakPolarHBondContact O-CB 3.49Å; Y351-L355 PolarHBondContact O-N 3.13Å; Y351-W527 HydrophobicContact CE1-CH2 4.17Å; Y351-W527 HydrophobicContact CE1-CZ2 4.19Å; Y351-W527 HydrophobicContact CE2-CZ2 4.13Å; Y351-W527 AromaticContact CZ-CZ2 3.57Å; Y351-W527 WeakPolarHBondContact OH-CZ2 3.21Å |
| 352 | I | 95.7 | Very high | 94.2 | Very high | 81 Ų | 81 | 42.7 Ų | 42.7 | 42% | 0.415 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.7 | -47.5 | -173.7 | -64.8 | 178.7 | 0 | 0 | 0 | 110.8 | R348 D349 L355 V356 | R348-I352 HydrophobicContact CG-CD1 3.52Å; R348-I352 HydrophobicContact CG-CG1 4.21Å; R348-I352 WeakPolarHBondContact O-CG1 3.44Å; R348-I352 PolarHBondContact O-N 3.34Å; R348-I352 VanDerWaalsContact O-N 3.08Å; D349-I352 PolarHBondContact O-N 2.89Å; I352-L355 PolarHBondContact O-N 3.4Å; I352-V356 HydrophobicContact CG2-CG2 4.14Å; I352-V356 WeakPolarHBondContact O-CB 3.42Å; I352-V356 VanDerWaalsContact O-CG2 3.3Å; I352-V356 WeakPolarHBondContact O-CG2 3.3Å; I352-V356 PolarHBondContact O-N 3.16Å |
| 353 | L | 96 | Very high | 94.4 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.6 | -55.4 | -172.9 | -72.7 | 169.6 | 0 | 0 | 0 | 111.5 | Y55 L56 M59 I60 F100 D349 L355 V356 M357 | Y55-L353 HydrophobicContact CE1-CD1 4.15Å; L56-L353 HydrophobicContact CB-CD2 4.42Å; L56-L353 HydrophobicContact CD2-CD1 4Å; L56-L353 HydrophobicContact CD2-CD2 4.03Å; L56-L353 HydrophobicContact CD2-CG 4.11Å; M59-L353 HydrophobicContact CB-CD1 3.75Å; M59-L353 HydrophobicContact CB-CD2 3.89Å; M59-L353 HydrophobicContact CB-CG 4.4Å; M59-L353 HydrophobicContact CE-CD1 4.46Å; M59-L353 HydrophobicContact CG-CD1 3.9Å; I60-L353 HydrophobicContact CD1-CD2 4.32Å; I60-L353 HydrophobicContact CG1-CD2 3.82Å; F100-L353 HydrophobicContact CE1-CB 4.09Å; F100-L353 HydrophobicContact CE1-CD1 4.05Å; F100-L353 HydrophobicContact CE2-CB 4.43Å; F100-L353 HydrophobicContact CZ-CB 3.64Å; F100-L353 HydrophobicContact CZ-CD1 3.74Å; F100-L353 HydrophobicContact CZ-CG 4.35Å; D349-L353 HydrophobicContact CB-CD1 4.1Å; D349-L353 VanDerWaalsContact O-CB 3.25Å; D349-L353 WeakPolarHBondContact O-CB 3.49Å; D349-L353 WeakPolarHBondContact O-CG 3.26Å; D349-L353 PolarHBondContact O-N 3.2Å; L353-L355 VanDerWaalsContact C-N 3.28Å; L353-L355 PolarHBondContact O-N 2.79Å; L353-V356 PolarHBondContact O-N 3.26Å; L353-M357 VanDerWaalsContact C-SD 3.58Å; L353-M357 HydrophobicContact CB-CE 3.79Å; L353-M357 HydrophobicContact CB-SD 4.41Å; L353-M357 HydrophobicContact CD2-CE 4.22Å; L353-M357 WeakPolarHBondContact O-CG 3.49Å; L353-M357 PolarHBondContact O-N 2.97Å |
| 354 | P | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.8 | -40.7 | 174.9 | -29.3 | 38.6 | 0 | 0 | 0 | 113.5 | L92 I97 F100 L326 S350 V356 M357 E358 | L92-P354 HydrophobicContact CD1-CB 4.11Å; I97-P354 HydrophobicContact CG1-CB 3.84Å; I97-P354 HydrophobicContact CG1-CG 4.13Å; F100-P354 HydrophobicContact CB-CG 4.16Å; F100-P354 HydrophobicContact CD1-CG 4Å; F100-P354 HydrophobicContact CD2-CG 3.9Å; F100-P354 HydrophobicContact CE1-CG 4.36Å; F100-P354 HydrophobicContact CE2-CG 4.25Å; F100-P354 HydrophobicContact CG-CG 3.75Å; F100-P354 HydrophobicContact CZ-CG 4.46Å; L326-P354 HydrophobicContact CD1-CB 4.17Å; L326-P354 HydrophobicContact CD2-CB 3.69Å; L326-P354 HydrophobicContact CD2-CG 4.16Å; S350-P354 VanDerWaalsContact O-CD 3.28Å; S350-P354 WeakPolarHBondContact O-CD 3.49Å; S350-P354 VanDerWaalsContact O-CG 3.3Å; S350-P354 WeakPolarHBondContact O-CG 3.1Å; P354-V356 PolarHBondContact O-N 3.42Å; P354-M357 PolarHBondContact O-N 3.49Å; P354-E358 WeakPolarHBondContact O-CG 2.92Å; P354-E358 PolarHBondContact O-N 3.44Å |
| 355 | L | 94.9 | Very high | 94.4 | Very high | 96 Ų | 96 | 38.8 Ų | 38.8 | 50% | 0.503 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 179.3 | -177.5 | 64.8 | 0 | 0 | 0 | 112.2 | Y351 I352 L353 E358 L359 | Y351-L355 VanDerWaalsContact O-CB 3.22Å; Y351-L355 WeakPolarHBondContact O-CB 3.49Å; Y351-L355 PolarHBondContact O-N 3.13Å; I352-L355 PolarHBondContact O-N 3.4Å; L353-L355 VanDerWaalsContact C-N 3.28Å; L353-L355 PolarHBondContact O-N 2.79Å; L355-E358 PolarHBondContact O-N 3.03Å; L355-L359 HydrophobicContact CD1-CD1 4.02Å; L355-L359 HydrophobicContact CD1-CG 4.16Å; L355-L359 HydrophobicContact CG-CD1 3.9Å; L355-L359 HydrophobicContact CG-CG 4.41Å; L355-L359 WeakPolarHBondContact O-CB 3.39Å; L355-L359 VanDerWaalsContact O-CG 3.23Å; L355-L359 WeakPolarHBondContact O-CG 3.37Å; L355-L359 PolarHBondContact O-N 2.9Å |
| 356 | V | 95 | Very high | 94.4 | Very high | 49 Ų | 49 | 40 Ų | 40 | 30% | 0.297 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 177.6 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | I60 I352 L353 P354 E358 T360 | I60-V356 HydrophobicContact CD1-CG1 4.04Å; I60-V356 HydrophobicContact CG1-CG1 4.24Å; I352-V356 HydrophobicContact CG2-CG2 4.14Å; I352-V356 WeakPolarHBondContact O-CB 3.42Å; I352-V356 VanDerWaalsContact O-CG2 3.3Å; I352-V356 WeakPolarHBondContact O-CG2 3.3Å; I352-V356 PolarHBondContact O-N 3.16Å; L353-V356 PolarHBondContact O-N 3.26Å; P354-V356 PolarHBondContact O-N 3.42Å; V356-E358 VanDerWaalsContact C-N 3.35Å; V356-E358 PolarHBondContact O-N 2.95Å; V356-T360 WeakPolarHBondContact O-CB 3.48Å; V356-T360 PolarHBondContact O-N 3.47Å; V356-T360 PolarHBondContact O-OG1 2.86Å |
| 357 | M | 91.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 178.6 | -65.4 | 155.7 | -179.6 | 0 | 0 | 110.9 | M59 S63 V64 F100 L326 L353 P354 T360 S361 | M59-M357 HydrophobicContact CB-CE 4Å; M59-M357 VanDerWaalsContact O-CE 3.22Å; M59-M357 WeakPolarHBondContact O-CE 3.38Å; S63-M357 WeakPolarHBondContact CB-SD 3.42Å; S63-M357 WeakPolarHBondContact OG-CE 3.41Å; S63-M357 PolarHBondContact OG-SD 2.93Å; V64-M357 HydrophobicContact CG2-CG 4.41Å; F100-M357 HydrophobicContact CE2-CE 4.13Å; F100-M357 HydrophobicContact CE2-SD 4.28Å; F100-M357 HydrophobicContact CZ-CE 4.37Å; L326-M357 HydrophobicContact CD2-CB 4.34Å; L326-M357 HydrophobicContact CD2-SD 3.76Å; L353-M357 VanDerWaalsContact C-SD 3.58Å; L353-M357 HydrophobicContact CB-CE 3.79Å; L353-M357 HydrophobicContact CB-SD 4.41Å; L353-M357 HydrophobicContact CD2-CE 4.22Å; L353-M357 WeakPolarHBondContact O-CG 3.49Å; L353-M357 PolarHBondContact O-N 2.97Å; P354-M357 PolarHBondContact O-N 3.49Å; M357-T360 VanDerWaalsContact O-CB 3.26Å; M357-T360 WeakPolarHBondContact O-CB 3.36Å; M357-T360 PolarHBondContact O-N 2.95Å; M357-S361 PolarHBondContact O-N 3.49Å; M357-S361 VanDerWaalsContact O-N 3.13Å; M357-S361 PolarHBondContact O-OG 3.24Å |
| 358 | E | 92.4 | Very high | 94.1 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 5% | 0.051 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -77.3 | -32.4 | -176.8 | -58.7 | -46.7 | 168.5 | 0 | 0 | 115.1 | Y88 L92 S325 P354 L355 V356 T360 S361 F362 | Y88-E358 HydrophobicContact CE1-CB 4.17Å; Y88-E358 HydrophobicContact CE1-CG 4.1Å; Y88-E358 WeakPolarHBondContact CE1-OE2 3.47Å; Y88-E358 VanDerWaalsContact CZ-OE2 3.29Å; Y88-E358 PolarHBondContact OH-OE1 3.09Å; Y88-E358 PolarHBondContact OH-OE2 3.4Å; L92-E358 HydrophobicContact CD1-CG 3.81Å; L92-E358 HydrophobicContact CD2-CB 4.21Å; L92-E358 HydrophobicContact CD2-CG 3.85Å; L92-E358 HydrophobicContact CG-CG 4.43Å; S325-E358 VanDerWaalsContact CB-OE1 3.23Å; S325-E358 WeakPolarHBondContact CB-OE1 3.49Å; S325-E358 VanDerWaalsContact OG-CD 3.24Å; S325-E358 PolarHBondContact OG-OE1 3.36Å; S325-E358 PolarHBondContact OG-OE2 3.43Å; P354-E358 WeakPolarHBondContact O-CG 2.92Å; P354-E358 PolarHBondContact O-N 3.44Å; L355-E358 PolarHBondContact O-N 3.03Å; V356-E358 VanDerWaalsContact C-N 3.35Å; V356-E358 PolarHBondContact O-N 2.95Å; E358-T360 PolarHBondContact O-N 3.02Å; E358-S361 WeakPolarHBondContact O-CB 3.42Å; E358-S361 PolarHBondContact O-N 3.31Å; E358-S361 PolarHBondContact OE2-OG 3.4Å; E358-F362 PolarHBondContact O-N 2.96Å |
| 359 | L | 94.6 | Very high | 94 | Very high | 100 Ų | 100 | 31 Ų | 31 | 52% | 0.524 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -63.7 | -30.7 | 168.1 | -71.8 | 175.1 | 0 | 0 | 0 | 111.4 | L355 F362 Y363 | L355-L359 HydrophobicContact CD1-CD1 4.02Å; L355-L359 HydrophobicContact CD1-CG 4.16Å; L355-L359 HydrophobicContact CG-CD1 3.9Å; L355-L359 HydrophobicContact CG-CG 4.41Å; L355-L359 WeakPolarHBondContact O-CB 3.39Å; L355-L359 VanDerWaalsContact O-CG 3.23Å; L355-L359 WeakPolarHBondContact O-CG 3.37Å; L355-L359 PolarHBondContact O-N 2.9Å; L359-F362 PolarHBondContact O-N 3.42Å; L359-Y363 VanDerWaalsContact O-CB 3.25Å; L359-Y363 WeakPolarHBondContact O-CB 3.24Å; L359-Y363 PolarHBondContact O-N 3.37Å |
| 360 | T | 94.5 | Very high | 93.8 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.5 | -43.9 | 174.7 | -52.4 | 0 | 0 | 0 | 0 | 111.1 | V64 Y278 V356 M357 E358 F362 Y363 A364 | V64-T360 HydrophobicContact CG1-CG2 3.71Å; V64-T360 HydrophobicContact CG2-CG2 4.08Å; Y278-T360 HydrophobicContact CD1-CG2 4.41Å; Y278-T360 HydrophobicContact CE1-CG2 3.5Å; Y278-T360 VanDerWaalsContact CE1-CG2 3.5Å; Y278-T360 VanDerWaalsContact CE1-OG1 3.27Å; Y278-T360 WeakPolarHBondContact CE1-OG1 3.29Å; Y278-T360 PolarHBondContact OH-OG1 3.49Å; V356-T360 WeakPolarHBondContact O-CB 3.48Å; V356-T360 PolarHBondContact O-N 3.47Å; V356-T360 PolarHBondContact O-OG1 2.86Å; M357-T360 VanDerWaalsContact O-CB 3.26Å; M357-T360 WeakPolarHBondContact O-CB 3.36Å; M357-T360 PolarHBondContact O-N 2.95Å; E358-T360 PolarHBondContact O-N 3.02Å; T360-F362 VanDerWaalsContact C-N 3.32Å; T360-F362 PolarHBondContact O-N 3.46Å; T360-Y363 PolarHBondContact O-N 2.97Å; T360-A364 WeakPolarHBondContact O-CB 3.29Å; T360-A364 PolarHBondContact O-N 3.26Å |
| 361 | S | 93.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.7 | -46.1 | 173.4 | -47.4 | 0 | 0 | 0 | 0 | 111.6 | N68 F72 M357 E358 G365 | N68-S361 WeakPolarHBondContact CB-OG 3.42Å; N68-S361 PolarHBondContact ND2-OG 3.06Å; F72-S361 VanDerWaalsContact CD1-O 3.31Å; F72-S361 WeakPolarHBondContact CD1-O 3.42Å; M357-S361 PolarHBondContact O-N 3.49Å; M357-S361 VanDerWaalsContact O-N 3.13Å; M357-S361 PolarHBondContact O-OG 3.24Å; E358-S361 WeakPolarHBondContact O-CB 3.42Å; E358-S361 PolarHBondContact O-N 3.31Å; E358-S361 PolarHBondContact OE2-OG 3.4Å; S361-G365 PolarHBondContact O-N 3.24Å |
| 362 | F | 95 | Very high | 93.1 | Very high | 66 Ų | 66 | 25.6 Ų | 25.6 | 29% | 0.289 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 178.1 | -173.6 | -116.8 | 0 | 0 | 0 | 112.5 | F72 L85 Y301 E358 L359 T360 G365 F366 | F72-F362 HydrophobicContact CE1-CB 4.43Å; F72-F362 HydrophobicContact CE1-CD2 4.49Å; L85-F362 HydrophobicContact CD1-CD2 4.23Å; L85-F362 HydrophobicContact CD1-CE2 3.68Å; L85-F362 HydrophobicContact CD1-CZ 4.26Å; L85-F362 HydrophobicContact CD2-CD2 4.02Å; L85-F362 HydrophobicContact CD2-CE2 4.27Å; Y301-F362 HydrophobicContact CE1-CD2 4.17Å; Y301-F362 AromaticContact CE1-CE2 3.94Å; Y301-F362 HydrophobicContact CE1-CE2 3.94Å; Y301-F362 AromaticContact CZ-CD2 3.95Å; Y301-F362 WeakPolarHBondContact OH-CA 3.19Å; Y301-F362 WeakPolarHBondContact OH-CD2 3.38Å; Y301-F362 PolarHBondContact OH-O 3.1Å; Y301-F362 VanDerWaalsContact OH-O 3.1Å; E358-F362 PolarHBondContact O-N 2.96Å; L359-F362 PolarHBondContact O-N 3.42Å; T360-F362 VanDerWaalsContact C-N 3.32Å; T360-F362 PolarHBondContact O-N 3.46Å; F362-G365 PolarHBondContact O-N 3.07Å; F362-F366 HydrophobicContact CD1-CE2 4.06Å; F362-F366 AromaticContact CE1-CE2 3.57Å; F362-F366 HydrophobicContact CE1-CE2 3.57Å; F362-F366 HydrophobicContact CE1-CZ 4.17Å; F362-F366 HydrophobicContact CE2-CE2 4.19Å; F362-F366 AromaticContact CZ-CE2 3.64Å; F362-F366 HydrophobicContact CZ-CE2 3.64Å; F362-F366 AromaticContact CZ-CZ 3.95Å; F362-F366 HydrophobicContact CZ-CZ 3.95Å; F362-F366 WeakPolarHBondContact O-CD2 3.41Å |
| 363 | Y | 95.5 | Very high | 92.9 | Very high | 65 Ų | 65 | 21.8 Ų | 21.8 | 26% | 0.255 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 176.7 | -178.3 | -107.6 | 0 | 0 | 0 | 112.4 | L281 T282 L285 L359 T360 G365 F366 | L281-Y363 HydrophobicContact CB-CD1 4.34Å; L281-Y363 HydrophobicContact CB-CE1 3.91Å; T282-Y363 VanDerWaalsContact CA-OH 3.23Å; T282-Y363 WeakPolarHBondContact CA-OH 3.4Å; T282-Y363 WeakPolarHBondContact CB-OH 3.39Å; T282-Y363 PolarHBondContact OG1-OH 3.07Å; L285-Y363 HydrophobicContact CD2-CD2 4.43Å; L285-Y363 HydrophobicContact CD2-CE2 3.48Å; L285-Y363 VanDerWaalsContact CD2-CE2 3.48Å; L285-Y363 WeakPolarHBondContact CD2-OH 3.5Å; L359-Y363 VanDerWaalsContact O-CB 3.25Å; L359-Y363 WeakPolarHBondContact O-CB 3.24Å; L359-Y363 PolarHBondContact O-N 3.37Å; T360-Y363 PolarHBondContact O-N 2.97Å; Y363-G365 PolarHBondContact O-N 2.92Å; Y363-F366 PolarHBondContact O-N 2.81Å; Y363-F366 VanDerWaalsContact O-N 3.09Å |
| 364 | A | 92.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.3 | -31.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I69 L281 T360 F366 V367 V368 | I69-A364 HydrophobicContact CB-CB 4.34Å; I69-A364 HydrophobicContact CG1-CB 4.41Å; I69-A364 HydrophobicContact CG2-CB 4.17Å; L281-A364 HydrophobicContact CD1-CB 4.39Å; L281-A364 HydrophobicContact CD2-CB 4.42Å; T360-A364 WeakPolarHBondContact O-CB 3.29Å; T360-A364 PolarHBondContact O-N 3.26Å; A364-F366 VanDerWaalsContact C-N 3.33Å; A364-F366 PolarHBondContact O-N 2.98Å; A364-V367 WeakPolarHBondContact O-CB 3.46Å; A364-V367 PolarHBondContact O-N 2.92Å; A364-V367 VanDerWaalsContact O-N 3.1Å; A364-V368 WeakPolarHBondContact O-CG2 3.25Å; A364-V368 PolarHBondContact O-N 3.24Å |
| 365 | G | 93 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.8 | -38.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S361 F362 Y363 V367 V368 F369 | S361-G365 PolarHBondContact O-N 3.24Å; F362-G365 PolarHBondContact O-N 3.07Å; Y363-G365 PolarHBondContact O-N 2.92Å; G365-V367 VanDerWaalsContact C-N 3.32Å; G365-V367 PolarHBondContact O-N 3.21Å; G365-V368 PolarHBondContact O-N 3.19Å; G365-F369 WeakPolarHBondContact O-CB 3.46Å; G365-F369 WeakPolarHBondContact O-CD2 3.27Å; G365-F369 PolarHBondContact O-N 2.87Å |
| 366 | F | 95 | Very high | 91.4 | Very high | 54 Ų | 54 | 19.6 Ų | 19.6 | 24% | 0.237 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 172.9 | -72.8 | -86.3 | 0 | 0 | 0 | 112.1 | L285 I298 Y301 I302 F362 Y363 A364 S370 | L285-F366 HydrophobicContact CD1-CB 3.79Å; I298-F366 HydrophobicContact CG2-CD1 3.9Å; I298-F366 HydrophobicContact CG2-CE1 3.9Å; Y301-F366 HydrophobicContact CE1-CD2 4Å; Y301-F366 AromaticContact CE1-CE2 3.99Å; Y301-F366 HydrophobicContact CE1-CE2 3.99Å; Y301-F366 HydrophobicContact CE1-CG 4.41Å; Y301-F366 HydrophobicContact CE1-CZ 4.4Å; I302-F366 HydrophobicContact CG2-CE1 3.92Å; I302-F366 HydrophobicContact CG2-CZ 3.9Å; F362-F366 HydrophobicContact CD1-CE2 4.06Å; F362-F366 AromaticContact CE1-CE2 3.57Å; F362-F366 HydrophobicContact CE1-CE2 3.57Å; F362-F366 HydrophobicContact CE1-CZ 4.17Å; F362-F366 HydrophobicContact CE2-CE2 4.19Å; F362-F366 AromaticContact CZ-CE2 3.64Å; F362-F366 HydrophobicContact CZ-CE2 3.64Å; F362-F366 AromaticContact CZ-CZ 3.95Å; F362-F366 HydrophobicContact CZ-CZ 3.95Å; F362-F366 WeakPolarHBondContact O-CD2 3.41Å; Y363-F366 PolarHBondContact O-N 2.81Å; Y363-F366 VanDerWaalsContact O-N 3.09Å; A364-F366 VanDerWaalsContact C-N 3.33Å; A364-F366 PolarHBondContact O-N 2.98Å; F366-S370 VanDerWaalsContact O-CB 3.22Å; F366-S370 WeakPolarHBondContact O-CB 3.44Å; F366-S370 PolarHBondContact O-N 3.24Å; F366-S370 PolarHBondContact O-OG 3.33Å |
| 367 | V | 91.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.4 | -54.4 | 176.5 | -170.2 | 0 | 0 | 0 | 0 | 109.6 | L281 L284 L285 A364 G365 F369 S370 V371 | L281-V367 HydrophobicContact CB-CG2 4.21Å; L281-V367 HydrophobicContact CD2-CB 4.37Å; L281-V367 HydrophobicContact CD2-CG1 4.36Å; L281-V367 HydrophobicContact CD2-CG2 4.06Å; L281-V367 WeakPolarHBondContact O-CG2 3.37Å; L284-V367 HydrophobicContact CB-CG1 3.64Å; L285-V367 HydrophobicContact CB-CG2 4.03Å; L285-V367 HydrophobicContact CD1-CG2 4.36Å; A364-V367 WeakPolarHBondContact O-CB 3.46Å; A364-V367 PolarHBondContact O-N 2.92Å; A364-V367 VanDerWaalsContact O-N 3.1Å; G365-V367 VanDerWaalsContact C-N 3.32Å; G365-V367 PolarHBondContact O-N 3.21Å; V367-F369 PolarHBondContact O-N 3.27Å; V367-S370 PolarHBondContact O-N 3.44Å; V367-S370 PolarHBondContact O-OG 2.75Å; V367-V371 WeakPolarHBondContact O-CG2 3.49Å; V367-V371 PolarHBondContact O-N 3.26Å |
| 368 | V | 90.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.3 | -49.8 | -177.1 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | I69 P73 A364 G365 V371 I372 L393 Y398 | I69-V368 VanDerWaalsContact O-CG2 3.28Å; I69-V368 WeakPolarHBondContact O-CG2 3.37Å; P73-V368 HydrophobicContact CB-CB 4.27Å; P73-V368 HydrophobicContact CB-CG1 4.34Å; P73-V368 HydrophobicContact CB-CG2 4.43Å; P73-V368 HydrophobicContact CG-CB 4.47Å; P73-V368 HydrophobicContact CG-CG2 4.13Å; A364-V368 WeakPolarHBondContact O-CG2 3.25Å; A364-V368 PolarHBondContact O-N 3.24Å; G365-V368 PolarHBondContact O-N 3.19Å; V368-V371 PolarHBondContact O-N 3.29Å; V368-I372 HydrophobicContact CG1-CD1 3.61Å; V368-I372 HydrophobicContact CG1-CG1 4.29Å; V368-I372 WeakPolarHBondContact O-CB 3.49Å; V368-I372 WeakPolarHBondContact O-CG1 3.4Å; V368-I372 PolarHBondContact O-N 3.41Å; V368-L393 HydrophobicContact CG1-CD1 4.36Å; V368-L393 HydrophobicContact CG1-CD2 4.02Å; V368-Y398 WeakPolarHBondContact CA-OH 3.25Å; V368-Y398 HydrophobicContact CG1-CE2 4.32Å; V368-Y398 HydrophobicContact CG2-CE2 4.25Å; V368-Y398 WeakPolarHBondContact CG2-OH 3.44Å |
| 369 | F | 91.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 0% | 0.004 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -75.4 | -25.7 | -176.2 | -85 | -89 | 0 | 0 | 0 | 113.8 | P73 Y77 G297 Y301 G365 V367 V371 G373 I383 | P73-F369 HydrophobicContact CB-CD2 4.08Å; P73-F369 HydrophobicContact CB-CE2 3.73Å; P73-F369 WeakPolarHBondContact O-CE2 3.43Å; Y77-F369 HydrophobicContact CD1-CZ 4.3Å; Y77-F369 HydrophobicContact CD2-CE1 4.4Å; Y77-F369 HydrophobicContact CG-CE1 4.06Å; Y77-F369 AromaticContact CG-CZ 3.82Å; Y77-F369 HydrophobicContact CG-CZ 3.82Å; G297-F369 VanDerWaalsContact CA-O 3.31Å; G297-F369 WeakPolarHBondContact CA-O 3.47Å; G297-F369 VanDerWaalsContact O-CD1 3.24Å; G297-F369 WeakPolarHBondContact O-CD1 3.49Å; Y301-F369 AromaticContact CD2-CD2 3.69Å; Y301-F369 HydrophobicContact CD2-CD2 3.69Å; Y301-F369 AromaticContact CD2-CE2 3.82Å; Y301-F369 HydrophobicContact CD2-CE2 3.82Å; Y301-F369 HydrophobicContact CD2-CG 4.41Å; Y301-F369 HydrophobicContact CG-CB 4.45Å; Y301-F369 AromaticContact CG-CD2 3.83Å; Y301-F369 HydrophobicContact CG-CD2 3.83Å; Y301-F369 HydrophobicContact CG-CE2 4.37Å; Y301-F369 HydrophobicContact CG-CG 4.16Å; G365-F369 WeakPolarHBondContact O-CB 3.46Å; G365-F369 WeakPolarHBondContact O-CD2 3.27Å; G365-F369 PolarHBondContact O-N 2.87Å; V367-F369 PolarHBondContact O-N 3.27Å; F369-V371 VanDerWaalsContact C-N 3.31Å; F369-G373 PolarHBondContact O-N 2.83Å; F369-I383 HydrophobicContact CE1-CG2 4.42Å |
| 370 | S | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -41 | 169.5 | 71.5 | 0 | 0 | 0 | 0 | 111.7 | G288 A294 F366 V367 F374 | G288-S370 WeakPolarHBondContact CA-OG 3.37Å; A294-S370 WeakPolarHBondContact CA-O 3.17Å; F366-S370 VanDerWaalsContact O-CB 3.22Å; F366-S370 WeakPolarHBondContact O-CB 3.44Å; F366-S370 PolarHBondContact O-N 3.24Å; F366-S370 PolarHBondContact O-OG 3.33Å; V367-S370 PolarHBondContact O-N 3.44Å; V367-S370 PolarHBondContact O-OG 2.75Å; S370-F374 PolarHBondContact O-N 2.9Å |
| 371 | V | 86.8 | Confident | 87.7 | Confident | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.03 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -74.6 | -42.8 | -179.3 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | V367 V368 F369 G373 F374 M375 Y398 V401 | V367-V371 WeakPolarHBondContact O-CG2 3.49Å; V367-V371 PolarHBondContact O-N 3.26Å; V368-V371 PolarHBondContact O-N 3.29Å; F369-V371 VanDerWaalsContact C-N 3.31Å; V371-G373 VanDerWaalsContact C-N 3.35Å; V371-F374 WeakPolarHBondContact O-CB 3.41Å; V371-F374 PolarHBondContact O-N 3.19Å; V371-M375 PolarHBondContact O-N 3.48Å; V371-Y398 HydrophobicContact CG1-CD1 4.43Å; V371-Y398 HydrophobicContact CG1-CE1 4.21Å; V371-V401 HydrophobicContact CG1-CB 3.72Å; V371-V401 HydrophobicContact CG1-CG1 3.39Å; V371-V401 HydrophobicContact CG1-CG2 3.89Å |
| 372 | I | 87.7 | Confident | 87.2 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.2 | -39.5 | 174.9 | -70.5 | 177.8 | 0 | 0 | 0 | 111.3 | V368 F374 M375 A376 I383 V386 V387 L393 T397 | V368-I372 HydrophobicContact CG1-CD1 3.61Å; V368-I372 HydrophobicContact CG1-CG1 4.29Å; V368-I372 WeakPolarHBondContact O-CB 3.49Å; V368-I372 WeakPolarHBondContact O-CG1 3.4Å; V368-I372 PolarHBondContact O-N 3.41Å; I372-F374 VanDerWaalsContact C-N 3.31Å; I372-F374 PolarHBondContact O-N 2.86Å; I372-M375 PolarHBondContact O-N 2.99Å; I372-M375 VanDerWaalsContact O-N 3.16Å; I372-A376 WeakPolarHBondContact O-CB 3.39Å; I372-A376 PolarHBondContact O-N 3.08Å; I372-I383 HydrophobicContact CG2-CG2 3.99Å; I372-V386 HydrophobicContact CG2-CG1 4.1Å; I372-V387 HydrophobicContact CD1-CG2 3.89Å; I372-V387 HydrophobicContact CG2-CG2 3.82Å; I372-L393 HydrophobicContact CD1-CD1 3.97Å; I372-T397 HydrophobicContact CG1-CG2 4.45Å |
| 373 | G | 90.8 | Very high | 86.7 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.6 | -42.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G293 F369 V371 A376 H377 | G293-G373 CarbonylContact O-C 3.57Å; G293-G373 WeakPolarHBondContact O-CA 3.43Å; F369-G373 PolarHBondContact O-N 2.83Å; V371-G373 VanDerWaalsContact C-N 3.35Å; G373-A376 PolarHBondContact O-N 3.33Å; G373-H377 PolarHBondContact O-N 3.15Å; G373-H377 VanDerWaalsContact O-N 3.1Å |
| 374 | F | 87.1 | Confident | 86 | Confident | 23 Ų | 23 | 29.7 Ų | 29.7 | 10% | 0.101 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.3 | -45.1 | 171.8 | 166.6 | -106.6 | 0 | 0 | 0 | 112.7 | L291 E292 S370 V371 I372 A376 H377 V378 V401 R404 | L291-F374 HydrophobicContact CB-CB 3.81Å; L291-F374 HydrophobicContact CB-CD2 3.68Å; L291-F374 HydrophobicContact CB-CE2 4.42Å; L291-F374 HydrophobicContact CB-CG 3.81Å; L291-F374 HydrophobicContact CD1-CB 4.01Å; L291-F374 HydrophobicContact CD1-CD1 3.79Å; L291-F374 HydrophobicContact CD1-CD2 4.21Å; L291-F374 HydrophobicContact CD1-CE1 4.29Å; L291-F374 HydrophobicContact CD1-CG 3.73Å; L291-F374 HydrophobicContact CD2-CD2 3.9Å; L291-F374 HydrophobicContact CD2-CE1 4.44Å; L291-F374 HydrophobicContact CD2-CE2 3.79Å; L291-F374 HydrophobicContact CD2-CG 4.25Å; L291-F374 HydrophobicContact CD2-CZ 4.07Å; L291-F374 HydrophobicContact CG-CB 4.48Å; L291-F374 HydrophobicContact CG-CD2 4.15Å; L291-F374 HydrophobicContact CG-CG 4.15Å; E292-F374 VanDerWaalsContact O-CA 3.23Å; E292-F374 WeakPolarHBondContact O-CA 3.49Å; E292-F374 WeakPolarHBondContact O-CB 3.35Å; E292-F374 WeakPolarHBondContact O-CD2 3.19Å; S370-F374 PolarHBondContact O-N 2.9Å; V371-F374 WeakPolarHBondContact O-CB 3.41Å; V371-F374 PolarHBondContact O-N 3.19Å; I372-F374 VanDerWaalsContact C-N 3.31Å; I372-F374 PolarHBondContact O-N 2.86Å; F374-A376 VanDerWaalsContact C-N 3.35Å; F374-A376 PolarHBondContact O-N 3.29Å; F374-H377 WeakPolarHBondContact O-CB 3.21Å; F374-H377 PolarHBondContact O-N 2.9Å; F374-V378 HydrophobicContact CD2-CG2 3.77Å; F374-V378 HydrophobicContact CE1-CG2 4.31Å; F374-V378 HydrophobicContact CE2-CG2 3.3Å; F374-V378 HydrophobicContact CG-CG2 4.47Å; F374-V378 HydrophobicContact CZ-CG2 3.62Å; F374-V378 WeakPolarHBondContact O-CG2 3.3Å; F374-V378 PolarHBondContact O-N 3.37Å; F374-V401 HydrophobicContact CD1-CG1 3.68Å; F374-V401 HydrophobicContact CE1-CG1 3.97Å; F374-R404 HydrophobicContact CE1-CB 4.46Å |
| 375 | M | 85.1 | Confident | 85.2 | Confident | 18 Ų | 18 | 33.7 Ų | 33.7 | 9% | 0.089 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 178.3 | -172 | 172 | 158.5 | 0 | 0 | 112.4 | V371 I372 H377 V378 T379 V386 T397 E400 V401 | V371-M375 PolarHBondContact O-N 3.48Å; I372-M375 PolarHBondContact O-N 2.99Å; I372-M375 VanDerWaalsContact O-N 3.16Å; M375-H377 VanDerWaalsContact C-N 3.32Å; M375-H377 PolarHBondContact O-N 2.86Å; M375-V378 PolarHBondContact O-N 2.97Å; M375-T379 HydrophobicContact CG-CG2 4.21Å; M375-T379 WeakPolarHBondContact O-CB 3.29Å; M375-T379 WeakPolarHBondContact O-CG2 3.45Å; M375-T379 PolarHBondContact O-N 3.38Å; M375-T379 PolarHBondContact O-OG1 3.11Å; M375-V386 HydrophobicContact CB-CG1 3.91Å; M375-V386 HydrophobicContact CE-CG1 3.64Å; M375-V386 HydrophobicContact CE-CG2 4.49Å; M375-V386 HydrophobicContact CG-CG1 3.64Å; M375-V386 HydrophobicContact SD-CG1 3.39Å; M375-V386 WeakPolarHBondContact SD-CG1 3.28Å; M375-T397 HydrophobicContact CE-CG2 4.41Å; M375-T397 HydrophobicContact SD-CG2 3.69Å; M375-E400 HydrophobicContact CE-CB 4.46Å; M375-E400 HydrophobicContact CE-CG 3.74Å; M375-E400 HydrophobicContact SD-CG 4.28Å; M375-V401 HydrophobicContact CB-CG2 3.6Å; M375-V401 HydrophobicContact CG-CG2 3.83Å; M375-V401 HydrophobicContact SD-CG2 3.41Å; M375-V401 WeakPolarHBondContact SD-CG2 3.42Å |
| 376 | A | 84.9 | Confident | 84.4 | Confident | 11 Ų | 11 | 33.9 Ų | 33.9 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I372 G373 F374 G380 K381 I383 V386 | I372-A376 WeakPolarHBondContact O-CB 3.39Å; I372-A376 PolarHBondContact O-N 3.08Å; G373-A376 PolarHBondContact O-N 3.33Å; F374-A376 VanDerWaalsContact C-N 3.35Å; F374-A376 PolarHBondContact O-N 3.29Å; A376-G380 WeakPolarHBondContact O-CA 3.43Å; A376-G380 PolarHBondContact O-N 2.94Å; A376-K381 WeakPolarHBondContact CB-O 3.44Å; A376-K381 PolarHBondContact O-N 3.34Å; A376-I383 HydrophobicContact CB-CG1 3.7Å; A376-V386 HydrophobicContact CB-CG2 4.38Å |
| 377 | H | 84.2 | Confident | 83.4 | Confident | 100 Ų | 100 | 32.2 Ų | 32.2 | 46% | 0.463 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.5 | -48.8 | 176.6 | -178.1 | 75.5 | 0 | 0 | 0 | 112.4 | E292 G373 F374 M375 G380 | E292-H377 IonicContact OE2-CD2 2.64Å; E292-H377 IonicContact OE2-CE1 3.56Å; E292-H377 IonicContact OE2-NE2 3.53Å; E292-H377 PolarHBondContact OE2-NE2 3.47Å; G373-H377 PolarHBondContact O-N 3.15Å; G373-H377 VanDerWaalsContact O-N 3.1Å; F374-H377 WeakPolarHBondContact O-CB 3.21Å; F374-H377 PolarHBondContact O-N 2.9Å; M375-H377 VanDerWaalsContact C-N 3.32Å; M375-H377 PolarHBondContact O-N 2.86Å; H377-G380 PolarHBondContact O-N 3.18Å |
| 378 | V | 78.2 | Confident | 82.4 | Confident | 55 Ų | 55 | 34 Ų | 34 | 33% | 0.333 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -71.9 | -34.8 | -177.4 | 174.7 | 0 | 0 | 0 | 0 | 112.7 | Y185 F374 M375 | Y185-V378 PolarHBondContact OH-O 3.5Å; F374-V378 HydrophobicContact CD2-CG2 3.77Å; F374-V378 HydrophobicContact CE1-CG2 4.31Å; F374-V378 HydrophobicContact CE2-CG2 3.3Å; F374-V378 HydrophobicContact CG-CG2 4.47Å; F374-V378 HydrophobicContact CZ-CG2 3.62Å; F374-V378 WeakPolarHBondContact O-CG2 3.3Å; F374-V378 PolarHBondContact O-N 3.37Å; M375-V378 PolarHBondContact O-N 2.97Å |
| 379 | T | 75.6 | Confident | 81.2 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -86.2 | -10 | 179.5 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | Y179 Y185 M375 K381 | Y179-T379 HydrophobicContact CD1-CG2 4.41Å; Y185-T379 PolarHBondContact OH-O 2.62Å; M375-T379 HydrophobicContact CG-CG2 4.21Å; M375-T379 WeakPolarHBondContact O-CB 3.29Å; M375-T379 WeakPolarHBondContact O-CG2 3.45Å; M375-T379 PolarHBondContact O-N 3.38Å; M375-T379 PolarHBondContact O-OG1 3.11Å; T379-K381 PolarHBondContact O-N 2.95Å |
| 380 | G | 73.5 | Confident | 80 | Confident | 47 Ų | 47 | 41.7 Ų | 41.7 | 49% | 0.485 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 13.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A376 H377 | A376-G380 WeakPolarHBondContact O-CA 3.43Å; A376-G380 PolarHBondContact O-N 2.94Å; H377-G380 PolarHBondContact O-N 3.18Å |
| 381 | K | 78.1 | Confident | 79 | Confident | 51 Ų | 51 | 44.2 Ų | 44.2 | 22% | 0.222 | 25% | 0.245 | C | C | . | . | trans | -90.5 | 153.9 | -180 | -67.6 | -172.7 | -178.9 | -175.1 | 0 | 110.9 | Y179 A376 T379 E385 V386 | Y179-K381 WeakPolarHBondContact OH-CE 3.5Å; Y179-K381 PolarHBondContact OH-NZ 3.08Å; A376-K381 WeakPolarHBondContact CB-O 3.44Å; A376-K381 PolarHBondContact O-N 3.34Å; T379-K381 PolarHBondContact O-N 2.95Å; K381-E385 HydrophobicContact CB-CB 4.24Å; K381-E385 HydrophobicContact CD-CB 4.43Å; K381-V386 HydrophobicContact CB-CG2 3.73Å; K381-V386 HydrophobicContact CD-CG2 4.37Å | ||
| 382 | K | 83.8 | Confident | 78.6 | Confident | 128 Ų | 128 | 44.2 Ų | 44.2 | 56% | 0.557 | 25% | 0.246 | S | C | * | . | trans | -65.9 | 148.9 | 168 | -64.6 | 177.5 | -179 | 174.5 | 0 | 109.3 | E384 E385 V386 | K382-E384 PolarHBondContact O-N 2.96Å; K382-E384 VanDerWaalsContact O-N 3.15Å; K382-E385 HydrophobicContact CB-CG 4.28Å; K382-E385 WeakPolarHBondContact O-CB 3.08Å; K382-E385 PolarHBondContact O-N 3.38Å; K382-V386 PolarHBondContact O-N 3.3Å | ||
| 383 | I | 83.8 | Confident | 78.2 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53.4 | -37.7 | 175.8 | -74.2 | 163.6 | 0 | 0 | 0 | 111.1 | T296 Y300 F369 I372 A376 E385 V386 V387 | T296-I383 HydrophobicContact CG2-CD1 3.88Å; Y300-I383 HydrophobicContact CD1-CD1 4.4Å; Y300-I383 HydrophobicContact CD1-CG2 4.38Å; Y300-I383 HydrophobicContact CD2-CD1 3.32Å; Y300-I383 HydrophobicContact CE2-CD1 3.65Å; Y300-I383 HydrophobicContact CG-CD1 3.72Å; Y300-I383 HydrophobicContact CG-CG2 4.43Å; F369-I383 HydrophobicContact CE1-CG2 4.42Å; I372-I383 HydrophobicContact CG2-CG2 3.99Å; A376-I383 HydrophobicContact CB-CG1 3.7Å; I383-E385 PolarHBondContact O-N 3.06Å; I383-V386 PolarHBondContact O-N 2.86Å; I383-V386 VanDerWaalsContact O-N 3.08Å; I383-V387 HydrophobicContact CG2-CG2 3.81Å; I383-V387 WeakPolarHBondContact O-CG2 3.3Å; I383-V387 PolarHBondContact O-N 3.42Å; I383-V387 VanDerWaalsContact O-N 3.11Å |
| 384 | E | 79.9 | Confident | 78 | Confident | 118 Ų | 118 | 44.3 Ų | 44.3 | 55% | 0.551 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.4 | -28.4 | 179 | -27.7 | -169.4 | 148.3 | 0 | 0 | 113.2 | Y77 K382 | Y77-E384 WeakPolarHBondContact OH-CB 3.15Å; Y77-E384 WeakPolarHBondContact OH-CG 3.41Å; K382-E384 PolarHBondContact O-N 2.96Å; K382-E384 VanDerWaalsContact O-N 3.15Å |
| 385 | E | 75.7 | Confident | 78.1 | Confident | 84 Ų | 84 | 43.3 Ų | 43.3 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -85 | -14.6 | 178.4 | -64 | 173.3 | -139.3 | 0 | 0 | 112.5 | R192 K381 K382 I383 | R192-E385 IonicContact CZ-OE1 3.98Å; R192-E385 IonicContact CZ-OE2 2.98Å; R192-E385 IonicContact NH1-OE1 3.09Å; R192-E385 IonicContact NH1-OE2 3.78Å; R192-E385 PolarHBondContact NH1-OE2 3.21Å; R192-E385 IonicContact NH2-OE1 3.73Å; R192-E385 PolarHBondContact NH2-OE1 3.23Å; R192-E385 IonicContact NH2-OE2 3.06Å; R192-E385 PolarHBondContact NH2-OE2 2.98Å; K381-E385 HydrophobicContact CB-CB 4.24Å; K381-E385 HydrophobicContact CD-CB 4.43Å; K382-E385 HydrophobicContact CB-CG 4.28Å; K382-E385 WeakPolarHBondContact O-CB 3.08Å; K382-E385 PolarHBondContact O-N 3.38Å; I383-E385 PolarHBondContact O-N 3.06Å |
| 386 | V | 77 | Confident | 78.3 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.024 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -99.3 | -29.8 | -175.5 | 170.9 | 0 | 0 | 0 | 0 | 112 | I372 M375 A376 K381 K382 I383 S388 T397 | I372-V386 HydrophobicContact CG2-CG1 4.1Å; M375-V386 HydrophobicContact CB-CG1 3.91Å; M375-V386 HydrophobicContact CE-CG1 3.64Å; M375-V386 HydrophobicContact CE-CG2 4.49Å; M375-V386 HydrophobicContact CG-CG1 3.64Å; M375-V386 HydrophobicContact SD-CG1 3.39Å; M375-V386 WeakPolarHBondContact SD-CG1 3.28Å; A376-V386 HydrophobicContact CB-CG2 4.38Å; K381-V386 HydrophobicContact CB-CG2 3.73Å; K381-V386 HydrophobicContact CD-CG2 4.37Å; K382-V386 PolarHBondContact O-N 3.3Å; I383-V386 PolarHBondContact O-N 2.86Å; I383-V386 VanDerWaalsContact O-N 3.08Å; V386-S388 PolarHBondContact O-N 2.87Å; V386-T397 HydrophobicContact CG1-CG2 4.21Å |
| 387 | V | 74.1 | Confident | 78.3 | Confident | 18 Ų | 18 | 42.6 Ų | 42.6 | 11% | 0.109 | 24% | 0.237 | C | C | . | . | trans | -76.2 | 112.4 | -176.9 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | Y74 I372 I383 | Y74-V387 HydrophobicContact CD2-CG1 3.34Å; Y74-V387 HydrophobicContact CE2-CG1 3.58Å; I372-V387 HydrophobicContact CD1-CG2 3.89Å; I372-V387 HydrophobicContact CG2-CG2 3.82Å; I383-V387 HydrophobicContact CG2-CG2 3.81Å; I383-V387 WeakPolarHBondContact O-CG2 3.3Å; I383-V387 PolarHBondContact O-N 3.42Å; I383-V387 VanDerWaalsContact O-N 3.11Å | ||
| 388 | S | 70 | Confident | 78.4 | Confident | 39 Ų | 39 | 38.1 Ų | 38.1 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | trans | -91.9 | 146.4 | 172.2 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | V386 T397 | V386-S388 PolarHBondContact O-N 2.87Å; S388-T397 PolarHBondContact OG-OG1 3.5Å | ||
| 389 | E | 66.3 | Low | 79 | Confident | 117 Ų | 117 | 35.5 Ų | 35.5 | 55% | 0.547 | 20% | 0.2 | S | C | . | . | trans | -77.7 | 154 | 173.8 | -65.5 | -160.7 | 166.8 | 0 | 0 | 112.7 | Y74 Q78 G392 | Y74-E389 HydrophobicContact CD1-CG 4.41Å; Y74-E389 HydrophobicContact CE1-CG 3.61Å; Y74-E389 WeakPolarHBondContact CE1-OE1 3.41Å; Y74-E389 HydrophobicContact CE2-CG 3.86Å; Y74-E389 VanDerWaalsContact OH-CD 3.26Å; Y74-E389 VanDerWaalsContact OH-CG 3.28Å; Y74-E389 WeakPolarHBondContact OH-CG 3.48Å; Y74-E389 PolarHBondContact OH-OE1 3.48Å; Q78-E389 PolarHBondContact NE2-OE1 2.98Å; E389-G392 PolarHBondContact O-N 3.5Å | ||
| 390 | G | 66.4 | Low | 79.5 | Confident | 45 Ų | 45 | 35.5 Ų | 35.5 | 46% | 0.464 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -133.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G392 L393 | G390-G392 PolarHBondContact O-N 3.09Å; G390-L393 PolarHBondContact O-N 3.27Å |
| 391 | P | 70.4 | Confident | 80 | Confident | 54 Ų | 54 | 33.3 Ų | 33.3 | 35% | 0.351 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67 | -20.2 | -178.4 | 28.6 | -34.1 | 0 | 0 | 0 | 112.8 | L393 A394 F395 | P391-L393 PolarHBondContact O-N 3.31Å; P391-A394 PolarHBondContact O-N 2.94Å; P391-F395 HydrophobicContact CB-CD2 4.12Å; P391-F395 WeakPolarHBondContact O-CD2 3.42Å; P391-F395 PolarHBondContact O-N 3.16Å |
| 392 | G | 78.4 | Confident | 80.5 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.8 | -35.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | E389 G390 A394 I396 T397 | E389-G392 PolarHBondContact O-N 3.5Å; G390-G392 PolarHBondContact O-N 3.09Å; G392-A394 PolarHBondContact O-N 3.37Å; G392-I396 VanDerWaalsContact O-CA 3.31Å; G392-I396 WeakPolarHBondContact O-CA 3.5Å; G392-I396 WeakPolarHBondContact O-CB 3.46Å; G392-I396 PolarHBondContact O-N 3.49Å; G392-T397 PolarHBondContact O-N 3.45Å |
| 393 | L | 79.8 | Confident | 80.6 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -58.4 | -49.6 | 176.4 | -175.3 | 49.8 | 0 | 0 | 0 | 111.1 | W70 V368 I372 G390 P391 T397 Y398 | W70-L393 HydrophobicContact CB-CB 4.47Å; W70-L393 HydrophobicContact CB-CD2 3.72Å; W70-L393 HydrophobicContact CB-CG 4.17Å; W70-L393 HydrophobicContact CG-CD2 4.29Å; W70-L393 HydrophobicContact CG-CG 4.34Å; W70-L393 WeakPolarHBondContact O-CD2 3.3Å; V368-L393 HydrophobicContact CG1-CD1 4.36Å; V368-L393 HydrophobicContact CG1-CD2 4.02Å; I372-L393 HydrophobicContact CD1-CD1 3.97Å; G390-L393 PolarHBondContact O-N 3.27Å; P391-L393 PolarHBondContact O-N 3.31Å; L393-T397 HydrophobicContact CD1-CG2 4.05Å; L393-T397 WeakPolarHBondContact O-CB 3.24Å; L393-T397 PolarHBondContact O-N 3.27Å; L393-Y398 HydrophobicContact CD1-CD2 4.1Å; L393-Y398 HydrophobicContact CD1-CE2 4.1Å; L393-Y398 HydrophobicContact CG-CD2 4.27Å; L393-Y398 HydrophobicContact CG-CE2 4.21Å; L393-Y398 VanDerWaalsContact O-CD2 3.3Å; L393-Y398 WeakPolarHBondContact O-CD2 3.21Å; L393-Y398 PolarHBondContact O-N 2.94Å |
| 394 | A | 85.1 | Confident | 80.6 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -75.9 | -35.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | W70 P391 G392 P399 F415 | W70-A394 HydrophobicContact CD2-CB 3.81Å; W70-A394 HydrophobicContact CE3-CB 3.59Å; W70-A394 HydrophobicContact CH2-CB 3.81Å; W70-A394 HydrophobicContact CZ2-CB 4.01Å; W70-A394 HydrophobicContact CZ3-CB 3.52Å; P391-A394 PolarHBondContact O-N 2.94Å; G392-A394 PolarHBondContact O-N 3.37Å; A394-P399 VanDerWaalsContact O-CD 3.3Å; A394-P399 WeakPolarHBondContact O-CD 3.37Å; A394-F415 WeakPolarHBondContact O-CE1 3.18Å |
| 395 | F | 90.6 | Very high | 80.7 | Confident | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -106.9 | -7 | -171.7 | -64.5 | -70.4 | 0 | 0 | 0 | 114.7 | Y148 F152 F223 P391 F416 V419 | Y148-F395 HydrophobicContact CD2-CE2 4.43Å; F152-F395 AromaticContact CD2-CD1 3.7Å; F152-F395 HydrophobicContact CD2-CD1 3.7Å; F152-F395 HydrophobicContact CD2-CE1 4.17Å; F152-F395 HydrophobicContact CE2-CB 4.19Å; F152-F395 AromaticContact CE2-CD1 3.6Å; F152-F395 HydrophobicContact CE2-CD1 3.6Å; F152-F395 HydrophobicContact CE2-CE1 4.45Å; F152-F395 HydrophobicContact CE2-CG 4.3Å; F152-F395 HydrophobicContact CG-CD1 4.41Å; F152-F395 HydrophobicContact CZ-CB 4.2Å; F152-F395 HydrophobicContact CZ-CD1 4.25Å; F152-F395 WeakPolarHBondContact CZ-O 3.38Å; F223-F395 HydrophobicContact CD2-CB 3.63Å; F223-F395 HydrophobicContact CD2-CG 4.3Å; F223-F395 HydrophobicContact CE2-CB 3.61Å; F223-F395 HydrophobicContact CE2-CD1 4.49Å; F223-F395 HydrophobicContact CE2-CD2 4.21Å; F223-F395 AromaticContact CE2-CG 3.87Å; F223-F395 HydrophobicContact CE2-CG 3.87Å; F223-F395 HydrophobicContact CG-CB 4.13Å; F223-F395 HydrophobicContact CZ-CB 4.09Å; F223-F395 HydrophobicContact CZ-CD2 4.38Å; F223-F395 HydrophobicContact CZ-CG 4.4Å; P391-F395 HydrophobicContact CB-CD2 4.12Å; P391-F395 WeakPolarHBondContact O-CD2 3.42Å; P391-F395 PolarHBondContact O-N 3.16Å; F395-F416 AromaticContact CD1-CE1 3.73Å; F395-F416 HydrophobicContact CD1-CE1 3.73Å; F395-F416 HydrophobicContact CD1-CZ 4.43Å; F395-F416 HydrophobicContact CE1-CD1 4.39Å; F395-F416 AromaticContact CE1-CE1 3.84Å; F395-F416 HydrophobicContact CE1-CE1 3.84Å; F395-V419 HydrophobicContact CZ-CG1 4.24Å |
| 396 | I | 89.1 | Confident | 81 | Confident | 10 Ų | 10 | 22.3 Ų | 22.3 | 5% | 0.051 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -123 | -63.3 | 178 | -56.4 | 171.4 | 0 | 0 | 0 | 109.9 | S219 E220 F223 Y224 G392 P399 E400 | S219-I396 PolarHBondContact OG-O 2.9Å; E220-I396 HydrophobicContact CB-CG2 3.69Å; E220-I396 HydrophobicContact CG-CD1 4.33Å; E220-I396 HydrophobicContact CG-CG2 4.33Å; F223-I396 HydrophobicContact CB-CG1 3.95Å; F223-I396 HydrophobicContact CD1-CD1 3.95Å; F223-I396 HydrophobicContact CD1-CG1 3.97Å; F223-I396 HydrophobicContact CG-CG1 4.17Å; Y224-I396 HydrophobicContact CD2-CD1 4.33Å; Y224-I396 HydrophobicContact CE2-CD1 3.55Å; G392-I396 VanDerWaalsContact O-CA 3.31Å; G392-I396 WeakPolarHBondContact O-CA 3.5Å; G392-I396 WeakPolarHBondContact O-CB 3.46Å; G392-I396 PolarHBondContact O-N 3.49Å; I396-P399 WeakPolarHBondContact O-CD 3.47Å; I396-E400 VanDerWaalsContact O-CB 3.22Å; I396-E400 WeakPolarHBondContact O-CB 3.37Å; I396-E400 PolarHBondContact O-N 3.13Å |
| 397 | T | 84.9 | Confident | 81.5 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -64.4 | -48.6 | -174.2 | -44.6 | 0 | 0 | 0 | 0 | 111.8 | I372 M375 V386 S388 G392 L393 E400 V401 | I372-T397 HydrophobicContact CG1-CG2 4.45Å; M375-T397 HydrophobicContact CE-CG2 4.41Å; M375-T397 HydrophobicContact SD-CG2 3.69Å; V386-T397 HydrophobicContact CG1-CG2 4.21Å; S388-T397 PolarHBondContact OG-OG1 3.5Å; G392-T397 PolarHBondContact O-N 3.45Å; L393-T397 HydrophobicContact CD1-CG2 4.05Å; L393-T397 WeakPolarHBondContact O-CB 3.24Å; L393-T397 PolarHBondContact O-N 3.27Å; T397-E400 WeakPolarHBondContact O-CB 3.45Å; T397-E400 PolarHBondContact O-N 3.39Å; T397-V401 WeakPolarHBondContact O-CG2 3.4Å; T397-V401 PolarHBondContact O-N 2.67Å; T397-V401 VanDerWaalsContact O-N 3.12Å |
| 398 | Y | 86.4 | Confident | 82.2 | Confident | 7 Ų | 7 | 28.7 Ų | 28.7 | 3% | 0.027 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.5 | -48 | -179 | -96 | -90.4 | 0 | 0 | 0 | 113.9 | W70 V368 V371 L393 E400 V401 V402 F415 | W70-Y398 AromaticContact CD1-CE2 3.61Å; W70-Y398 AromaticContact NE1-CE2 3.54Å; W70-Y398 AromaticContact NE1-CZ 3.95Å; V368-Y398 WeakPolarHBondContact CA-OH 3.25Å; V368-Y398 HydrophobicContact CG1-CE2 4.32Å; V368-Y398 HydrophobicContact CG2-CE2 4.25Å; V368-Y398 WeakPolarHBondContact CG2-OH 3.44Å; V371-Y398 HydrophobicContact CG1-CD1 4.43Å; V371-Y398 HydrophobicContact CG1-CE1 4.21Å; L393-Y398 HydrophobicContact CD1-CD2 4.1Å; L393-Y398 HydrophobicContact CD1-CE2 4.1Å; L393-Y398 HydrophobicContact CG-CD2 4.27Å; L393-Y398 HydrophobicContact CG-CE2 4.21Å; L393-Y398 VanDerWaalsContact O-CD2 3.3Å; L393-Y398 WeakPolarHBondContact O-CD2 3.21Å; L393-Y398 PolarHBondContact O-N 2.94Å; Y398-E400 PolarHBondContact O-N 3.5Å; Y398-V401 PolarHBondContact O-N 2.83Å; Y398-V402 WeakPolarHBondContact O-CG2 3.45Å; Y398-V402 PolarHBondContact O-N 2.94Å; Y398-F415 AromaticContact CD1-CD2 3.92Å; Y398-F415 HydrophobicContact CD1-CD2 3.92Å; Y398-F415 AromaticContact CD1-CE2 3.4Å; Y398-F415 HydrophobicContact CD1-CE2 3.4Å; Y398-F415 VanDerWaalsContact CD1-CE2 3.4Å; Y398-F415 AromaticContact CD1-CZ 3.79Å; Y398-F415 HydrophobicContact CD1-CZ 3.79Å; Y398-F415 HydrophobicContact CD2-CE2 4.31Å; Y398-F415 HydrophobicContact CD2-CZ 4.12Å; Y398-F415 HydrophobicContact CE1-CD2 4.29Å; Y398-F415 AromaticContact CE1-CE2 3.74Å; Y398-F415 HydrophobicContact CE1-CE2 3.74Å; Y398-F415 HydrophobicContact CE1-CZ 4.45Å; Y398-F415 HydrophobicContact CG-CE1 4.31Å; Y398-F415 AromaticContact CG-CE2 3.69Å; Y398-F415 HydrophobicContact CG-CE2 3.69Å; Y398-F415 AromaticContact CG-CZ 3.56Å; Y398-F415 HydrophobicContact CG-CZ 3.56Å |
| 399 | P | 89.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -54.9 | -39 | 174.8 | -33.4 | 42.2 | 0 | 0 | 0 | 113.1 | F152 W164 A394 I396 V401 V402 S403 F416 | F152-P399 HydrophobicContact CD1-CG 4.36Å; F152-P399 HydrophobicContact CE1-CB 4.29Å; F152-P399 HydrophobicContact CE1-CG 3.95Å; W164-P399 HydrophobicContact CD2-CB 4.37Å; W164-P399 HydrophobicContact CG-CB 4.09Å; W164-P399 PolarHBondContact NE1-O 2.87Å; A394-P399 VanDerWaalsContact O-CD 3.3Å; A394-P399 WeakPolarHBondContact O-CD 3.37Å; I396-P399 WeakPolarHBondContact O-CD 3.47Å; P399-V401 VanDerWaalsContact C-N 3.32Å; P399-V401 PolarHBondContact O-N 3.41Å; P399-V402 PolarHBondContact O-N 3.12Å; P399-S403 WeakPolarHBondContact O-CB 3.45Å; P399-S403 PolarHBondContact O-N 3.4Å; P399-S403 PolarHBondContact O-OG 3.08Å; P399-F416 HydrophobicContact CG-CE2 3.97Å; P399-F416 HydrophobicContact CG-CZ 3.5Å; P399-F416 VanDerWaalsContact CG-CZ 3.5Å |
| 400 | E | 86.4 | Confident | 84.4 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 2% | 0.023 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.9 | -31.4 | 176.6 | -174.2 | 54.1 | -161.1 | 0 | 0 | 113.2 | S219 M375 I396 T397 Y398 S403 R404 | S219-E400 WeakPolarHBondContact OG-CB 3.3Å; S219-E400 PolarHBondContact OG-OE2 3.08Å; M375-E400 HydrophobicContact CE-CB 4.46Å; M375-E400 HydrophobicContact CE-CG 3.74Å; M375-E400 HydrophobicContact SD-CG 4.28Å; I396-E400 VanDerWaalsContact O-CB 3.22Å; I396-E400 WeakPolarHBondContact O-CB 3.37Å; I396-E400 PolarHBondContact O-N 3.13Å; T397-E400 WeakPolarHBondContact O-CB 3.45Å; T397-E400 PolarHBondContact O-N 3.39Å; Y398-E400 PolarHBondContact O-N 3.5Å; E400-S403 PolarHBondContact O-OG 3.47Å; E400-R404 VanDerWaalsContact CG-NH1 3.31Å; E400-R404 PolarHBondContact O-NH1 3.49Å; E400-R404 IonicContact OE1-CZ 2.74Å; E400-R404 IonicContact OE1-NH1 2.75Å; E400-R404 PolarHBondContact OE1-NH1 3.44Å; E400-R404 IonicContact OE1-NH2 3.07Å; E400-R404 PolarHBondContact OE1-NH2 2.91Å |
| 401 | V | 85.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -80.1 | -42 | 174.7 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | V371 F374 M375 T397 Y398 P399 S403 R404 M405 | V371-V401 HydrophobicContact CG1-CB 3.72Å; V371-V401 HydrophobicContact CG1-CG1 3.39Å; V371-V401 HydrophobicContact CG1-CG2 3.89Å; F374-V401 HydrophobicContact CD1-CG1 3.68Å; F374-V401 HydrophobicContact CE1-CG1 3.97Å; M375-V401 HydrophobicContact CB-CG2 3.6Å; M375-V401 HydrophobicContact CG-CG2 3.83Å; M375-V401 HydrophobicContact SD-CG2 3.41Å; M375-V401 WeakPolarHBondContact SD-CG2 3.42Å; T397-V401 WeakPolarHBondContact O-CG2 3.4Å; T397-V401 PolarHBondContact O-N 2.67Å; T397-V401 VanDerWaalsContact O-N 3.12Å; Y398-V401 PolarHBondContact O-N 2.83Å; P399-V401 VanDerWaalsContact C-N 3.32Å; P399-V401 PolarHBondContact O-N 3.41Å; V401-S403 VanDerWaalsContact C-N 3.32Å; V401-S403 PolarHBondContact O-N 2.71Å; V401-R404 PolarHBondContact O-N 2.93Å; V401-M405 HydrophobicContact CG1-CE 3.68Å |
| 402 | V | 86.8 | Confident | 86.5 | Confident | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.024 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.9 | -35.7 | -179.4 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | Y398 P399 R404 M405 S408 W411 | Y398-V402 WeakPolarHBondContact O-CG2 3.45Å; Y398-V402 PolarHBondContact O-N 2.94Å; P399-V402 PolarHBondContact O-N 3.12Å; V402-R404 PolarHBondContact O-N 2.96Å; V402-M405 PolarHBondContact O-N 3.16Å; V402-S408 WeakPolarHBondContact CG1-O 3.42Å; V402-S408 WeakPolarHBondContact O-CB 3.16Å; V402-W411 HydrophobicContact CG1-CB 3.75Å |
| 403 | S | 87.7 | Confident | 87.1 | Confident | 15 Ų | 15 | 26.8 Ų | 26.8 | 11% | 0.105 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.3 | 176.2 | 64.4 | 0 | 0 | 0 | 0 | 113 | P399 E400 V401 | P399-S403 WeakPolarHBondContact O-CB 3.45Å; P399-S403 PolarHBondContact O-N 3.4Å; P399-S403 PolarHBondContact O-OG 3.08Å; E400-S403 PolarHBondContact O-OG 3.47Å; V401-S403 VanDerWaalsContact C-N 3.32Å; V401-S403 PolarHBondContact O-N 2.71Å |
| 404 | R | 82.7 | Confident | 87.6 | Confident | 37 Ų | 37 | 28.6 Ų | 28.6 | 14% | 0.14 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -9.9 | 177.9 | -63 | -170.8 | 175.5 | 91.8 | -5 | 114.5 | Y179 F374 E400 V401 V402 | Y179-R404 VanDerWaalsContact CB-NH2 3.26Å; Y179-R404 VanDerWaalsContact CD2-NH2 3.28Å; Y179-R404 VanDerWaalsContact CG-NH2 3.27Å; F374-R404 HydrophobicContact CE1-CB 4.46Å; E400-R404 VanDerWaalsContact CG-NH1 3.31Å; E400-R404 PolarHBondContact O-NH1 3.49Å; E400-R404 IonicContact OE1-CZ 2.74Å; E400-R404 IonicContact OE1-NH1 2.75Å; E400-R404 PolarHBondContact OE1-NH1 3.44Å; E400-R404 IonicContact OE1-NH2 3.07Å; E400-R404 PolarHBondContact OE1-NH2 2.91Å; V401-R404 PolarHBondContact O-N 2.93Å; V402-R404 PolarHBondContact O-N 2.96Å |
| 405 | M | 81.3 | Confident | 87.9 | Confident | 11 Ų | 11 | 28.6 Ų | 28.6 | 5% | 0.054 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -85 | 145.5 | 179 | -61.6 | -159.9 | -163.8 | 0 | 0 | 111 | R287 L291 V401 V402 S408 | R287-M405 HydrophobicContact CG-SD 3.96Å; L291-M405 HydrophobicContact CD1-CE 3.54Å; L291-M405 HydrophobicContact CD1-SD 4.31Å; V401-M405 HydrophobicContact CG1-CE 3.68Å; V402-M405 PolarHBondContact O-N 3.16Å; M405-S408 WeakPolarHBondContact O-CB 3.49Å; M405-S408 PolarHBondContact O-N 3.18Å |
| 406 | P | 82.5 | Confident | 88 | Confident | 87 Ų | 87 | 28.5 Ų | 28.5 | 57% | 0.565 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 143.6 | 167.9 | 27.1 | -34.4 | 0 | 0 | 0 | 109.8 | W411 | P406-W411 PolarHBondContact O-NE1 3.06Å; P406-W411 VanDerWaalsContact O-NE1 3.1Å |
| 407 | L | 86.9 | Confident | 88.1 | Confident | 132 Ų | 132 | 31 Ų | 31 | 69% | 0.691 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 41.4 | -171.7 | -51.8 | 172.5 | 0 | 0 | 0 | 112.7 | H409 F410 W411 | L407-H409 VanDerWaalsContact C-N 3.29Å; L407-H409 PolarHBondContact O-N 3.44Å; L407-F410 HydrophobicContact CB-CB 4.17Å; L407-F410 WeakPolarHBondContact O-CB 3.24Å; L407-F410 PolarHBondContact O-N 3.42Å; L407-W411 VanDerWaalsContact O-CD1 3.24Å; L407-W411 PolarHBondContact O-N 3.07Å |
| 408 | S | 89.6 | Confident | 88.5 | Confident | 24 Ų | 24 | 31 Ų | 31 | 17% | 0.168 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -50.5 | -42.6 | -176.4 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | V402 M405 F410 W411 S412 | V402-S408 WeakPolarHBondContact CG1-O 3.42Å; V402-S408 WeakPolarHBondContact O-CB 3.16Å; M405-S408 WeakPolarHBondContact O-CB 3.49Å; M405-S408 PolarHBondContact O-N 3.18Å; S408-F410 PolarHBondContact O-N 3.5Å; S408-W411 PolarHBondContact O-N 2.87Å; S408-S412 VanDerWaalsContact O-CB 3.28Å; S408-S412 WeakPolarHBondContact O-CB 2.76Å; S408-S412 PolarHBondContact O-N 3.49Å |
| 409 | H | 92.2 | Very high | 88.7 | Confident | 56 Ų | 56 | 30.8 Ų | 30.8 | 26% | 0.259 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -58.2 | -43.6 | 175.7 | -74 | -95.5 | 0 | 0 | 0 | 113.2 | S156 G160 L162 L407 S412 A413 | S156-H409 PolarHBondContact O-ND1 3.3Å; G160-H409 PolarHBondContact O-CE1 2.91Å; G160-H409 PolarHBondContact O-NE2 3.32Å; L162-H409 VanDerWaalsContact CD2-CE1 3.47Å; L162-H409 WeakPolarHBondContact CD2-CE1 3.34Å; L162-H409 WeakPolarHBondContact CD2-ND1 3.25Å; L162-H409 PolarHBondContact N-NE2 3.12Å; L407-H409 VanDerWaalsContact C-N 3.29Å; L407-H409 PolarHBondContact O-N 3.44Å; H409-S412 PolarHBondContact O-N 2.81Å; H409-A413 VanDerWaalsContact O-CB 3.28Å; H409-A413 WeakPolarHBondContact O-CB 3.3Å; H409-A413 PolarHBondContact O-N 2.64Å |
| 410 | F | 90.5 | Very high | 88.9 | Confident | 109 Ų | 109 | 31.5 Ų | 31.5 | 48% | 0.478 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.3 | -48.9 | 179.5 | 170.1 | -100.9 | 0 | 0 | 0 | 111 | L407 S408 S412 L414 | L407-F410 HydrophobicContact CB-CB 4.17Å; L407-F410 WeakPolarHBondContact O-CB 3.24Å; L407-F410 PolarHBondContact O-N 3.42Å; S408-F410 PolarHBondContact O-N 3.5Å; F410-S412 VanDerWaalsContact C-N 3.33Å; F410-S412 PolarHBondContact O-N 2.94Å; F410-L414 HydrophobicContact CD1-CD1 4.25Å; F410-L414 HydrophobicContact CD2-CD1 4.49Å; F410-L414 HydrophobicContact CE1-CD1 3.63Å; F410-L414 HydrophobicContact CE2-CD1 3.91Å; F410-L414 HydrophobicContact CE2-CG 4.4Å; F410-L414 HydrophobicContact CZ-CD1 3.44Å; F410-L414 VanDerWaalsContact CZ-CD1 3.44Å; F410-L414 HydrophobicContact CZ-CG 4.39Å; F410-L414 WeakPolarHBondContact O-CG 3.43Å; F410-L414 PolarHBondContact O-N 2.92Å; F410-L414 VanDerWaalsContact O-N 3.11Å |
| 411 | W | 88.1 | Confident | 89.2 | Confident | 36 Ų | 36 | 31.6 Ų | 31.6 | 14% | 0.136 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.1 | -37.8 | 178.7 | -65.8 | 116.8 | 0 | 0 | 0 | 112.5 | V283 L284 V402 P406 L407 S408 L414 F415 | V283-W411 HydrophobicContact CG1-CH2 3.82Å; V283-W411 HydrophobicContact CG1-CZ3 3.58Å; L284-W411 HydrophobicContact CD2-CE3 4.22Å; V402-W411 HydrophobicContact CG1-CB 3.75Å; P406-W411 PolarHBondContact O-NE1 3.06Å; P406-W411 VanDerWaalsContact O-NE1 3.1Å; L407-W411 VanDerWaalsContact O-CD1 3.24Å; L407-W411 PolarHBondContact O-N 3.07Å; S408-W411 PolarHBondContact O-N 2.87Å; W411-L414 HydrophobicContact CE3-CD1 4.5Å; W411-F415 WeakPolarHBondContact O-CB 3.43Å; W411-F415 PolarHBondContact O-N 3.01Å |
| 412 | S | 92 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.5 | -44.4 | -179.3 | -160.4 | 0 | 0 | 0 | 0 | 111.9 | S156 W164 S408 H409 F410 L414 F415 F416 | S156-S412 WeakPolarHBondContact OG-CB 3.24Å; S156-S412 PolarHBondContact OG-OG 3.02Å; S156-S412 VanDerWaalsContact OG-OG 3.09Å; W164-S412 VanDerWaalsContact CZ2-OG 3.3Å; W164-S412 WeakPolarHBondContact CZ2-OG 3.44Å; S408-S412 VanDerWaalsContact O-CB 3.28Å; S408-S412 WeakPolarHBondContact O-CB 2.76Å; S408-S412 PolarHBondContact O-N 3.49Å; H409-S412 PolarHBondContact O-N 2.81Å; F410-S412 VanDerWaalsContact C-N 3.33Å; F410-S412 PolarHBondContact O-N 2.94Å; S412-L414 VanDerWaalsContact C-N 3.33Å; S412-L414 PolarHBondContact O-N 3.35Å; S412-F415 PolarHBondContact O-N 3.49Å; S412-F416 WeakPolarHBondContact O-CD2 3.25Å; S412-F416 PolarHBondContact O-N 2.87Å; S412-F416 WeakPolarHBondContact OG-CD2 3.32Å |
| 413 | A | 92.6 | Very high | 89.7 | Confident | 18 Ų | 18 | 31.7 Ų | 31.7 | 15% | 0.149 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.8 | -45.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | F153 M157 H409 F417 | F153-A413 HydrophobicContact CD2-CB 4.48Å; F153-A413 WeakPolarHBondContact CD2-O 3.32Å; F153-A413 HydrophobicContact CE2-CB 4.17Å; F153-A413 WeakPolarHBondContact CE2-O 3.13Å; M157-A413 HydrophobicContact CG-CB 4.34Å; H409-A413 VanDerWaalsContact O-CB 3.28Å; H409-A413 WeakPolarHBondContact O-CB 3.3Å; H409-A413 PolarHBondContact O-N 2.64Å; A413-F417 WeakPolarHBondContact O-CB 3.32Å; A413-F417 PolarHBondContact O-N 2.64Å |
| 414 | L | 90.5 | Very high | 90 | Very high | 42 Ų | 42 | 31.4 Ų | 31.4 | 22% | 0.22 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62 | -46.3 | 175.4 | -72 | -177.6 | 0 | 0 | 0 | 112.2 | F276 L280 F410 W411 S412 F417 M418 | F276-L414 HydrophobicContact CZ-CD2 4.41Å; L280-L414 HydrophobicContact CD1-CB 4.2Å; L280-L414 WeakPolarHBondContact CD1-O 3.37Å; L280-L414 HydrophobicContact CD2-CB 3.97Å; L280-L414 HydrophobicContact CD2-CD1 3.97Å; L280-L414 HydrophobicContact CD2-CD2 4.17Å; L280-L414 HydrophobicContact CD2-CG 4.27Å; F410-L414 HydrophobicContact CD1-CD1 4.25Å; F410-L414 HydrophobicContact CD2-CD1 4.49Å; F410-L414 HydrophobicContact CE1-CD1 3.63Å; F410-L414 HydrophobicContact CE2-CD1 3.91Å; F410-L414 HydrophobicContact CE2-CG 4.4Å; F410-L414 HydrophobicContact CZ-CD1 3.44Å; F410-L414 VanDerWaalsContact CZ-CD1 3.44Å; F410-L414 HydrophobicContact CZ-CG 4.39Å; F410-L414 WeakPolarHBondContact O-CG 3.43Å; F410-L414 PolarHBondContact O-N 2.92Å; F410-L414 VanDerWaalsContact O-N 3.11Å; W411-L414 HydrophobicContact CE3-CD1 4.5Å; S412-L414 VanDerWaalsContact C-N 3.33Å; S412-L414 PolarHBondContact O-N 3.35Å; L414-F417 PolarHBondContact O-N 3.04Å; L414-M418 PolarHBondContact O-N 3.46Å |
| 415 | F | 89.8 | Confident | 90.6 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.6 | -51.3 | 179.8 | 174.9 | -98.9 | 0 | 0 | 0 | 111.9 | W70 L284 A394 Y398 W411 S412 F417 M418 V419 | W70-F415 AromaticContact CZ2-CE2 3.88Å; W70-F415 HydrophobicContact CZ2-CE2 3.88Å; W70-F415 AromaticContact CZ2-CZ 3.65Å; W70-F415 HydrophobicContact CZ2-CZ 3.65Å; L284-F415 HydrophobicContact CD1-CD2 4.32Å; A394-F415 WeakPolarHBondContact O-CE1 3.18Å; Y398-F415 AromaticContact CD1-CD2 3.92Å; Y398-F415 HydrophobicContact CD1-CD2 3.92Å; Y398-F415 AromaticContact CD1-CE2 3.4Å; Y398-F415 HydrophobicContact CD1-CE2 3.4Å; Y398-F415 VanDerWaalsContact CD1-CE2 3.4Å; Y398-F415 AromaticContact CD1-CZ 3.79Å; Y398-F415 HydrophobicContact CD1-CZ 3.79Å; Y398-F415 HydrophobicContact CD2-CE2 4.31Å; Y398-F415 HydrophobicContact CD2-CZ 4.12Å; Y398-F415 HydrophobicContact CE1-CD2 4.29Å; Y398-F415 AromaticContact CE1-CE2 3.74Å; Y398-F415 HydrophobicContact CE1-CE2 3.74Å; Y398-F415 HydrophobicContact CE1-CZ 4.45Å; Y398-F415 HydrophobicContact CG-CE1 4.31Å; Y398-F415 AromaticContact CG-CE2 3.69Å; Y398-F415 HydrophobicContact CG-CE2 3.69Å; Y398-F415 AromaticContact CG-CZ 3.56Å; Y398-F415 HydrophobicContact CG-CZ 3.56Å; W411-F415 WeakPolarHBondContact O-CB 3.43Å; W411-F415 PolarHBondContact O-N 3.01Å; S412-F415 PolarHBondContact O-N 3.49Å; F415-F417 VanDerWaalsContact C-N 3.28Å; F415-F417 PolarHBondContact O-N 3.29Å; F415-M418 HydrophobicContact CD2-CE 4.05Å; F415-M418 HydrophobicContact CE2-CE 4.06Å; F415-M418 WeakPolarHBondContact O-CA 3.35Å; F415-M418 WeakPolarHBondContact O-CB 3.32Å; F415-M418 PolarHBondContact O-N 3.02Å; F415-V419 HydrophobicContact CD1-CG2 4.16Å; F415-V419 HydrophobicContact CE1-CG2 3.77Å; F415-V419 HydrophobicContact CE2-CG2 4.46Å; F415-V419 HydrophobicContact CZ-CG2 3.94Å; F415-V419 VanDerWaalsContact O-CG2 3.29Å; F415-V419 WeakPolarHBondContact O-CG2 3.22Å; F415-V419 PolarHBondContact O-N 3.36Å |
| 416 | F | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.5 | -29.4 | -179.6 | -76.8 | -65.7 | 0 | 0 | 0 | 112.8 | F152 F153 W164 F395 P399 S412 M418 V419 L420 | F152-F416 HydrophobicContact CB-CB 4.43Å; F152-F416 HydrophobicContact CB-CD1 3.5Å; F152-F416 VanDerWaalsContact CB-CD1 3.5Å; F152-F416 HydrophobicContact CB-CD2 3.6Å; F152-F416 HydrophobicContact CB-CE1 3.44Å; F152-F416 VanDerWaalsContact CB-CE1 3.44Å; F152-F416 HydrophobicContact CB-CE2 3.53Å; F152-F416 HydrophobicContact CB-CG 3.56Å; F152-F416 HydrophobicContact CB-CZ 3.42Å; F152-F416 VanDerWaalsContact CB-CZ 3.42Å; F152-F416 HydrophobicContact CD1-CD2 4.35Å; F152-F416 AromaticContact CD1-CE1 3.89Å; F152-F416 HydrophobicContact CD1-CE1 3.89Å; F152-F416 AromaticContact CD1-CE2 3.43Å; F152-F416 HydrophobicContact CD1-CE2 3.43Å; F152-F416 VanDerWaalsContact CD1-CE2 3.43Å; F152-F416 AromaticContact CD1-CZ 3.12Å; F152-F416 HydrophobicContact CD1-CZ 3.12Å; F152-F416 HydrophobicContact CD2-CE1 4.16Å; F152-F416 HydrophobicContact CD2-CZ 4.19Å; F152-F416 HydrophobicContact CE1-CE2 4.36Å; F152-F416 AromaticContact CE1-CZ 3.82Å; F152-F416 HydrophobicContact CE1-CZ 3.82Å; F152-F416 HydrophobicContact CG-CD1 4.18Å; F152-F416 HydrophobicContact CG-CD2 4.37Å; F152-F416 AromaticContact CG-CE1 3.59Å; F152-F416 HydrophobicContact CG-CE1 3.59Å; F152-F416 AromaticContact CG-CE2 3.79Å; F152-F416 HydrophobicContact CG-CE2 3.79Å; F152-F416 AromaticContact CG-CZ 3.33Å; F152-F416 HydrophobicContact CG-CZ 3.33Å; F153-F416 HydrophobicContact CB-CB 3.94Å; F153-F416 HydrophobicContact CD2-CB 4.39Å; W164-F416 HydrophobicContact CZ2-CE2 4.27Å; F395-F416 AromaticContact CD1-CE1 3.73Å; F395-F416 HydrophobicContact CD1-CE1 3.73Å; F395-F416 HydrophobicContact CD1-CZ 4.43Å; F395-F416 HydrophobicContact CE1-CD1 4.39Å; F395-F416 AromaticContact CE1-CE1 3.84Å; F395-F416 HydrophobicContact CE1-CE1 3.84Å; P399-F416 HydrophobicContact CG-CE2 3.97Å; P399-F416 HydrophobicContact CG-CZ 3.5Å; P399-F416 VanDerWaalsContact CG-CZ 3.5Å; S412-F416 WeakPolarHBondContact O-CD2 3.25Å; S412-F416 PolarHBondContact O-N 2.87Å; S412-F416 WeakPolarHBondContact OG-CD2 3.32Å; F416-M418 VanDerWaalsContact C-N 3.34Å; F416-V419 HydrophobicContact CD1-CB 4.49Å; F416-V419 HydrophobicContact CD1-CG2 4.21Å; F416-V419 WeakPolarHBondContact O-CB 3.44Å; F416-V419 PolarHBondContact O-N 3.46Å; F416-L420 VanDerWaalsContact O-CG 3.25Å; F416-L420 WeakPolarHBondContact O-CG 3.45Å; F416-L420 PolarHBondContact O-N 2.9Å |
| 417 | F | 92.4 | Very high | 91.7 | Very high | 63 Ų | 63 | 25.3 Ų | 25.3 | 28% | 0.276 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -65.3 | -37.1 | 169.2 | -169.2 | -106 | 0 | 0 | 0 | 112.4 | F153 F272 F276 A413 L414 F415 L420 T421 | F153-F417 HydrophobicContact CD2-CB 3.97Å; F153-F417 HydrophobicContact CE1-CD2 4.31Å; F153-F417 HydrophobicContact CE2-CB 3.68Å; F153-F417 HydrophobicContact CE2-CD2 4.03Å; F153-F417 HydrophobicContact CE2-CG 4.22Å; F153-F417 HydrophobicContact CZ-CB 4.37Å; F153-F417 AromaticContact CZ-CD2 3.85Å; F153-F417 HydrophobicContact CZ-CD2 3.85Å; F153-F417 HydrophobicContact CZ-CG 4.44Å; F272-F417 AromaticContact CE1-CE1 3.49Å; F272-F417 HydrophobicContact CE1-CE1 3.49Å; F272-F417 VanDerWaalsContact CE1-CE1 3.49Å; F272-F417 AromaticContact CE1-CZ 3.61Å; F272-F417 HydrophobicContact CE1-CZ 3.61Å; F272-F417 AromaticContact CZ-CE1 3.59Å; F272-F417 HydrophobicContact CZ-CE1 3.59Å; F272-F417 AromaticContact CZ-CZ 4Å; F272-F417 HydrophobicContact CZ-CZ 4Å; F276-F417 HydrophobicContact CD1-CD1 4.03Å; F276-F417 HydrophobicContact CD1-CE1 4.02Å; F276-F417 AromaticContact CE1-CD1 3.51Å; F276-F417 HydrophobicContact CE1-CD1 3.51Å; F276-F417 AromaticContact CE1-CE1 3.8Å; F276-F417 HydrophobicContact CE1-CE1 3.8Å; F276-F417 HydrophobicContact CZ-CD1 4.27Å; F276-F417 HydrophobicContact CZ-CE1 4.42Å; A413-F417 WeakPolarHBondContact O-CB 3.32Å; A413-F417 PolarHBondContact O-N 2.64Å; L414-F417 PolarHBondContact O-N 3.04Å; F415-F417 VanDerWaalsContact C-N 3.28Å; F415-F417 PolarHBondContact O-N 3.29Å; F417-L420 WeakPolarHBondContact O-CB 3.47Å; F417-L420 PolarHBondContact O-N 3.21Å; F417-T421 HydrophobicContact CD1-CG2 4.43Å; F417-T421 HydrophobicContact CE1-CG2 4.07Å; F417-T421 HydrophobicContact CZ-CG2 4.26Å; F417-T421 WeakPolarHBondContact O-CG2 3.36Å; F417-T421 PolarHBondContact O-N 2.76Å; F417-T421 PolarHBondContact O-OG1 3.31Å |
| 418 | M | 91.5 | Very high | 92 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.6 | -50.1 | 169.8 | -168.6 | -179.5 | 66.7 | 0 | 0 | 111.4 | W70 P277 L280 L281 L414 F415 F416 L420 T421 V422 | W70-M418 HydrophobicContact CZ2-CE 4.35Å; P277-M418 HydrophobicContact CB-CG 3.77Å; P277-M418 HydrophobicContact CB-SD 4.3Å; P277-M418 HydrophobicContact CG-CG 4.18Å; L280-M418 HydrophobicContact CB-CG 4.44Å; L280-M418 HydrophobicContact CB-SD 3.9Å; L280-M418 HydrophobicContact CD1-CB 3.64Å; L280-M418 HydrophobicContact CD1-CG 4.23Å; L281-M418 HydrophobicContact CD2-CE 4.26Å; L281-M418 HydrophobicContact CD2-SD 4.06Å; L281-M418 HydrophobicContact CG-SD 4.01Å; L414-M418 PolarHBondContact O-N 3.46Å; F415-M418 HydrophobicContact CD2-CE 4.05Å; F415-M418 HydrophobicContact CE2-CE 4.06Å; F415-M418 WeakPolarHBondContact O-CA 3.35Å; F415-M418 WeakPolarHBondContact O-CB 3.32Å; F415-M418 PolarHBondContact O-N 3.02Å; F416-M418 VanDerWaalsContact C-N 3.34Å; M418-L420 PolarHBondContact O-N 3.47Å; M418-T421 WeakPolarHBondContact CA-OG1 3.36Å; M418-T421 PolarHBondContact O-N 3.01Å; M418-T421 VanDerWaalsContact O-N 3.11Å; M418-T421 PolarHBondContact O-OG1 3.19Å; M418-V422 HydrophobicContact CG-CG2 4.24Å; M418-V422 WeakPolarHBondContact O-CB 3.33Å; M418-V422 WeakPolarHBondContact O-CG2 3.12Å; M418-V422 PolarHBondContact O-N 2.81Å |
| 419 | V | 91.2 | Very high | 92.3 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.018 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -54.2 | -43.7 | 178.6 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | L66 W70 F395 F415 F416 G423 | L66-V419 HydrophobicContact CD2-CG1 4.26Å; W70-V419 HydrophobicContact CH2-CB 4.08Å; W70-V419 HydrophobicContact CH2-CG1 3.98Å; W70-V419 HydrophobicContact CH2-CG2 3.37Å; W70-V419 HydrophobicContact CZ2-CG2 3.71Å; F395-V419 HydrophobicContact CZ-CG1 4.24Å; F415-V419 HydrophobicContact CD1-CG2 4.16Å; F415-V419 HydrophobicContact CE1-CG2 3.77Å; F415-V419 HydrophobicContact CE2-CG2 4.46Å; F415-V419 HydrophobicContact CZ-CG2 3.94Å; F415-V419 VanDerWaalsContact O-CG2 3.29Å; F415-V419 WeakPolarHBondContact O-CG2 3.22Å; F415-V419 PolarHBondContact O-N 3.36Å; F416-V419 HydrophobicContact CD1-CB 4.49Å; F416-V419 HydrophobicContact CD1-CG2 4.21Å; F416-V419 WeakPolarHBondContact O-CB 3.44Å; F416-V419 PolarHBondContact O-N 3.46Å; V419-G423 PolarHBondContact O-N 2.85Å |
| 420 | L | 93.2 | Very high | 92.5 | Very high | 16 Ų | 16 | 15.8 Ų | 15.8 | 8% | 0.084 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.8 | -50.7 | 175.6 | -69.2 | 173.6 | 0 | 0 | 0 | 112.1 | I146 L150 F153 F416 F417 M418 V422 G423 V424 | I146-L420 HydrophobicContact CG2-CD2 3.72Å; I146-L420 WeakPolarHBondContact O-CD2 3.4Å; L150-L420 HydrophobicContact CB-CD2 4.34Å; L150-L420 HydrophobicContact CD2-CD1 3.76Å; L150-L420 HydrophobicContact CD2-CD2 3.67Å; L150-L420 HydrophobicContact CD2-CG 4.38Å; L150-L420 HydrophobicContact CG-CD2 3.6Å; F153-L420 HydrophobicContact CB-CD1 3.91Å; F153-L420 HydrophobicContact CD1-CD1 4Å; F153-L420 HydrophobicContact CG-CD1 3.95Å; F416-L420 VanDerWaalsContact O-CG 3.25Å; F416-L420 WeakPolarHBondContact O-CG 3.45Å; F416-L420 PolarHBondContact O-N 2.9Å; F417-L420 WeakPolarHBondContact O-CB 3.47Å; F417-L420 PolarHBondContact O-N 3.21Å; M418-L420 PolarHBondContact O-N 3.47Å; L420-V422 PolarHBondContact O-N 3.42Å; L420-G423 PolarHBondContact O-N 3.35Å; L420-V424 WeakPolarHBondContact O-CB 3.14Å; L420-V424 WeakPolarHBondContact O-CG2 3.26Å; L420-V424 PolarHBondContact O-N 3.42Å |
| 421 | T | 92.5 | Very high | 92.8 | Very high | 7 Ų | 7 | 10.8 Ų | 10.8 | 4% | 0.043 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.4 | -40.5 | -178.3 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | F272 T273 F417 M418 D425 | F272-T421 HydrophobicContact CE1-CG2 4.26Å; T273-T421 HydrophobicContact CG2-CG2 4.05Å; F417-T421 HydrophobicContact CD1-CG2 4.43Å; F417-T421 HydrophobicContact CE1-CG2 4.07Å; F417-T421 HydrophobicContact CZ-CG2 4.26Å; F417-T421 WeakPolarHBondContact O-CG2 3.36Å; F417-T421 PolarHBondContact O-N 2.76Å; F417-T421 PolarHBondContact O-OG1 3.31Å; M418-T421 WeakPolarHBondContact CA-OG1 3.36Å; M418-T421 PolarHBondContact O-N 3.01Å; M418-T421 VanDerWaalsContact O-N 3.11Å; M418-T421 PolarHBondContact O-OG1 3.19Å; T421-D425 PolarHBondContact O-N 3.47Å |
| 422 | V | 92.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 9 Ų | 9 | 2% | 0.024 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -66.7 | -45.6 | 177.2 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | V64 L66 I69 P277 M418 L420 D425 | V64-V422 WeakPolarHBondContact O-CG1 3.27Å; L66-V422 HydrophobicContact CD2-CB 4.21Å; L66-V422 HydrophobicContact CD2-CG1 3.71Å; I69-V422 HydrophobicContact CD1-CG1 4.08Å; I69-V422 HydrophobicContact CD1-CG2 3.8Å; P277-V422 HydrophobicContact CB-CG2 3.81Å; P277-V422 HydrophobicContact CG-CG2 3.58Å; M418-V422 HydrophobicContact CG-CG2 4.24Å; M418-V422 WeakPolarHBondContact O-CB 3.33Å; M418-V422 WeakPolarHBondContact O-CG2 3.12Å; M418-V422 PolarHBondContact O-N 2.81Å; L420-V422 PolarHBondContact O-N 3.42Å; V422-D425 PolarHBondContact O-N 2.89Å |
| 423 | G | 91.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 9 Ų | 9 | 2% | 0.021 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.7 | -43 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I146 V419 L420 D425 S426 V427 | I146-G423 VanDerWaalsContact CD1-C 3.47Å; V419-G423 PolarHBondContact O-N 2.85Å; L420-G423 PolarHBondContact O-N 3.35Å; G423-D425 VanDerWaalsContact C-N 3.28Å; G423-D425 PolarHBondContact O-N 3.48Å; G423-S426 PolarHBondContact O-N 2.86Å; G423-V427 WeakPolarHBondContact O-CG2 3.49Å; G423-V427 PolarHBondContact O-N 3.06Å |
| 424 | V | 93.6 | Very high | 93.6 | Very high | 10 Ų | 10 | 8.5 Ų | 8.5 | 6% | 0.061 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.5 | -38.7 | 180 | 166.6 | 0 | 0 | 0 | 0 | 111.3 | I146 I254 L420 V427 F428 | I146-V424 HydrophobicContact CD1-CG2 4.04Å; I146-V424 HydrophobicContact CG2-CG2 4.38Å; I254-V424 HydrophobicContact CG2-CG1 4.31Å; I254-V424 HydrophobicContact CG2-CG2 3.89Å; L420-V424 WeakPolarHBondContact O-CB 3.14Å; L420-V424 WeakPolarHBondContact O-CG2 3.26Å; L420-V424 PolarHBondContact O-N 3.42Å; V424-V427 PolarHBondContact O-N 3.5Å; V424-F428 HydrophobicContact CG1-CD1 4.41Å; V424-F428 VanDerWaalsContact O-CD1 3.27Å; V424-F428 WeakPolarHBondContact O-CD1 3.14Å; V424-F428 PolarHBondContact O-N 3.38Å |
| 425 | D | 94 | Very high | 93.8 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.005 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63.2 | -46.9 | -177.8 | -77.8 | -2.7 | 0 | 0 | 0 | 112.7 | G61 T273 A274 T421 V422 G423 V427 F428 V429 | G61-D425 WeakPolarHBondContact CA-OD2 3.3Å; G61-D425 VanDerWaalsContact O-CB 3.26Å; G61-D425 WeakPolarHBondContact O-CB 3.4Å; T273-D425 VanDerWaalsContact C-OD2 3.29Å; T273-D425 WeakPolarHBondContact CB-OD1 3.43Å; T273-D425 PolarHBondContact OG1-OD1 2.84Å; T273-D425 PolarHBondContact OG1-OD2 3.39Å; A274-D425 WeakPolarHBondContact CA-OD2 3.23Å; A274-D425 WeakPolarHBondContact CB-OD2 3.06Å; A274-D425 PolarHBondContact N-OD2 2.89Å; T421-D425 PolarHBondContact O-N 3.47Å; V422-D425 PolarHBondContact O-N 2.89Å; G423-D425 VanDerWaalsContact C-N 3.28Å; G423-D425 PolarHBondContact O-N 3.48Å; D425-V427 PolarHBondContact O-N 3.43Å; D425-F428 VanDerWaalsContact CA-CE1 3.43Å; D425-F428 HydrophobicContact CB-CE1 3.99Å; D425-F428 WeakPolarHBondContact O-CD1 3.31Å; D425-F428 VanDerWaalsContact OD1-CE1 3.27Å; D425-F428 WeakPolarHBondContact OD1-CE1 3.19Å; D425-V429 PolarHBondContact O-N 3.4Å |
| 426 | S | 94.1 | Very high | 94 | Very high | 5 Ų | 5 | 6.9 Ų | 6.9 | 4% | 0.035 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -61.4 | -46.4 | 175.3 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | Y62 G423 F428 V429 M430 | Y62-S426 PolarHBondContact O-OG 3.2Å; G423-S426 PolarHBondContact O-N 2.86Å; S426-F428 PolarHBondContact O-N 3.26Å; S426-V429 PolarHBondContact O-N 3.48Å; S426-M430 VanDerWaalsContact O-CG 3.31Å; S426-M430 WeakPolarHBondContact O-CG 3.19Å; S426-M430 PolarHBondContact O-N 2.86Å; S426-M430 VanDerWaalsContact O-N 3.13Å |
| 427 | V | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -62.9 | -44.4 | -176.6 | 167.5 | 0 | 0 | 0 | 0 | 111.9 | F142 N143 I146 T255 G423 V424 D425 V429 M430 V431 | F142-V427 HydrophobicContact CB-CG2 3.68Å; N143-V427 WeakPolarHBondContact ND2-CG1 3.46Å; I146-V427 HydrophobicContact CD1-CB 4.18Å; I146-V427 HydrophobicContact CD1-CG2 3.66Å; T255-V427 HydrophobicContact CG2-CG1 3.73Å; G423-V427 WeakPolarHBondContact O-CG2 3.49Å; G423-V427 PolarHBondContact O-N 3.06Å; V424-V427 PolarHBondContact O-N 3.5Å; D425-V427 PolarHBondContact O-N 3.43Å; V427-V429 VanDerWaalsContact C-N 3.28Å; V427-V429 PolarHBondContact O-N 2.81Å; V427-M430 PolarHBondContact O-N 2.64Å; V427-V431 HydrophobicContact CG1-CG2 4.25Å; V427-V431 WeakPolarHBondContact O-CG2 3.35Å; V427-V431 PolarHBondContact O-N 2.85Å |
| 428 | F | 92.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -67.9 | -31.6 | -176.7 | 83.8 | -116.3 | 0 | 0 | 0 | 111.5 | L259 V270 V424 D425 S426 E432 | L259-F428 HydrophobicContact CD1-CB 4.07Å; L259-F428 HydrophobicContact CD2-CB 3.81Å; L259-F428 HydrophobicContact CD2-CD2 3.93Å; L259-F428 HydrophobicContact CD2-CG 4.22Å; L259-F428 HydrophobicContact CG-CB 3.89Å; V270-F428 HydrophobicContact CG1-CE1 3.69Å; V270-F428 HydrophobicContact CG1-CE2 4.46Å; V270-F428 HydrophobicContact CG1-CZ 3.35Å; V424-F428 HydrophobicContact CG1-CD1 4.41Å; V424-F428 VanDerWaalsContact O-CD1 3.27Å; V424-F428 WeakPolarHBondContact O-CD1 3.14Å; V424-F428 PolarHBondContact O-N 3.38Å; D425-F428 VanDerWaalsContact CA-CE1 3.43Å; D425-F428 HydrophobicContact CB-CE1 3.99Å; D425-F428 WeakPolarHBondContact O-CD1 3.31Å; D425-F428 VanDerWaalsContact OD1-CE1 3.27Å; D425-F428 WeakPolarHBondContact OD1-CE1 3.19Å; S426-F428 PolarHBondContact O-N 3.26Å; F428-E432 WeakPolarHBondContact O-CB 3.4Å; F428-E432 PolarHBondContact O-N 3.37Å |
| 429 | V | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -68.5 | -40.9 | 174.3 | 167.7 | 0 | 0 | 0 | 0 | 111.5 | Y62 M336 D425 S426 V427 E432 T433 | Y62-V429 HydrophobicContact CD1-CG1 4.13Å; Y62-V429 HydrophobicContact CD2-CB 3.41Å; Y62-V429 VanDerWaalsContact CD2-CB 3.41Å; Y62-V429 HydrophobicContact CD2-CG1 3.23Å; Y62-V429 HydrophobicContact CD2-CG2 4.02Å; Y62-V429 HydrophobicContact CE1-CG1 4.33Å; Y62-V429 HydrophobicContact CE2-CB 4Å; Y62-V429 HydrophobicContact CE2-CG1 3.46Å; Y62-V429 VanDerWaalsContact CE2-CG1 3.46Å; Y62-V429 HydrophobicContact CG-CB 3.93Å; Y62-V429 HydrophobicContact CG-CG1 3.58Å; Y62-V429 HydrophobicContact CG-CG2 4.09Å; M336-V429 HydrophobicContact CE-CB 3.83Å; M336-V429 HydrophobicContact CE-CG1 3.61Å; M336-V429 HydrophobicContact CE-CG2 3.62Å; M336-V429 HydrophobicContact CG-CG1 4.09Å; M336-V429 HydrophobicContact SD-CG2 4.37Å; D425-V429 PolarHBondContact O-N 3.4Å; S426-V429 PolarHBondContact O-N 3.48Å; V427-V429 VanDerWaalsContact C-N 3.28Å; V427-V429 PolarHBondContact O-N 2.81Å; V429-E432 PolarHBondContact O-N 2.97Å; V429-T433 WeakPolarHBondContact O-CB 3.28Å; V429-T433 PolarHBondContact O-N 2.87Å; V429-T433 PolarHBondContact O-OG1 3.27Å |
| 430 | M | 95.9 | Very high | 94.5 | Very high | 13 Ų | 13 | 6.8 Ų | 6.8 | 6% | 0.064 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 175.6 | -68.4 | 177.4 | 177 | 0 | 0 | 111.2 | Y62 T135 V138 S426 V427 T433 A434 | Y62-M430 HydrophobicContact CE2-CG 4.43Å; T135-M430 HydrophobicContact CG2-CB 3.52Å; T135-M430 HydrophobicContact CG2-CG 3.83Å; T135-M430 WeakPolarHBondContact CG2-O 3.47Å; V138-M430 HydrophobicContact CG1-CE 3.73Å; V138-M430 HydrophobicContact CG1-SD 3.96Å; S426-M430 VanDerWaalsContact O-CG 3.31Å; S426-M430 WeakPolarHBondContact O-CG 3.19Å; S426-M430 PolarHBondContact O-N 2.86Å; S426-M430 VanDerWaalsContact O-N 3.13Å; V427-M430 PolarHBondContact O-N 2.64Å; M430-T433 WeakPolarHBondContact O-CB 3.35Å; M430-T433 PolarHBondContact O-N 3.39Å; M430-A434 PolarHBondContact O-N 3.45Å |
| 431 | V | 96.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 7.2 Ų | 7.2 | 2% | 0.018 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -67.6 | -43.4 | 177 | 177 | 0 | 0 | 0 | 0 | 110.8 | W252 T255 L259 V427 T433 A434 I435 L456 | W252-V431 HydrophobicContact CH2-CG2 4.39Å; W252-V431 HydrophobicContact CZ3-CG2 3.98Å; T255-V431 HydrophobicContact CG2-CB 4.44Å; T255-V431 HydrophobicContact CG2-CG2 4.06Å; L259-V431 HydrophobicContact CD1-CB 3.68Å; L259-V431 HydrophobicContact CD1-CG1 3.51Å; V427-V431 HydrophobicContact CG1-CG2 4.25Å; V427-V431 WeakPolarHBondContact O-CG2 3.35Å; V427-V431 PolarHBondContact O-N 2.85Å; V431-T433 PolarHBondContact O-N 3.36Å; V431-A434 PolarHBondContact O-N 3.22Å; V431-A434 VanDerWaalsContact O-N 3.16Å; V431-I435 HydrophobicContact CG1-CG1 3.92Å; V431-I435 WeakPolarHBondContact O-CB 3.19Å; V431-I435 VanDerWaalsContact O-CG1 3.26Å; V431-I435 WeakPolarHBondContact O-CG1 3.39Å; V431-I435 PolarHBondContact O-N 3.22Å; V431-L456 HydrophobicContact CG1-CD1 3.95Å |
| 432 | E | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -56.9 | -40 | 175.2 | -176.7 | 69.8 | -126.2 | 0 | 0 | 111.4 | L259 G262 V263 T335 M336 Y339 F428 V429 I435 T436 R452 | L259-E432 HydrophobicContact CD2-CB 4.21Å; L259-E432 WeakPolarHBondContact CD2-OE2 3.26Å; G262-E432 WeakPolarHBondContact CA-OE2 3.14Å; V263-E432 HydrophobicContact CG1-CG 4.36Å; T335-E432 HydrophobicContact CG2-CG 4.46Å; M336-E432 HydrophobicContact CE-CB 3.76Å; M336-E432 HydrophobicContact CE-CG 3.65Å; Y339-E432 HydrophobicContact CE2-CG 4.48Å; Y339-E432 PolarHBondContact OH-OE1 2.86Å; F428-E432 WeakPolarHBondContact O-CB 3.4Å; F428-E432 PolarHBondContact O-N 3.37Å; V429-E432 PolarHBondContact O-N 2.97Å; E432-I435 PolarHBondContact O-N 3.33Å; E432-T436 WeakPolarHBondContact O-CB 3.45Å; E432-T436 PolarHBondContact O-N 3.5Å; E432-T436 PolarHBondContact O-OG1 3.38Å; E432-T436 PolarHBondContact OE1-OG1 3.42Å; E432-T436 VanDerWaalsContact OE1-OG1 3.1Å; E432-R452 IonicContact OE1-CZ 3.35Å; E432-R452 IonicContact OE1-NE 3.71Å; E432-R452 IonicContact OE1-NH2 2.81Å; E432-R452 PolarHBondContact OE1-NH2 3.18Å; E432-R452 IonicContact OE2-CZ 2.8Å; E432-R452 IonicContact OE2-NH2 3.82Å; E432-R452 PolarHBondContact OE2-NH2 2.8Å |
| 433 | T | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.1 | -48.6 | 176 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | I132 G332 T335 V429 M430 V431 A437 | I132-T433 HydrophobicContact CD1-CG2 3.67Å; G332-T433 WeakPolarHBondContact CA-OG1 3.48Å; T335-T433 WeakPolarHBondContact OG1-CG2 3.32Å; V429-T433 WeakPolarHBondContact O-CB 3.28Å; V429-T433 PolarHBondContact O-N 2.87Å; V429-T433 PolarHBondContact O-OG1 3.27Å; M430-T433 WeakPolarHBondContact O-CB 3.35Å; M430-T433 PolarHBondContact O-N 3.39Å; V431-T433 PolarHBondContact O-N 3.36Å; T433-A437 WeakPolarHBondContact O-CB 3.28Å; T433-A437 PolarHBondContact O-N 3.5Å; T433-A437 VanDerWaalsContact O-N 3.08Å |
| 434 | A | 96.7 | Very high | 93.8 | Very high | 7 Ų | 7 | 12.3 Ų | 12.3 | 6% | 0.058 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.8 | -44.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I132 L136 M430 V431 T436 A437 A438 | I132-A434 HydrophobicContact CG2-CB 3.85Å; L136-A434 HydrophobicContact CD1-CB 4.33Å; L136-A434 HydrophobicContact CD2-CB 3.45Å; L136-A434 VanDerWaalsContact CD2-CB 3.45Å; L136-A434 HydrophobicContact CG-CB 3.85Å; M430-A434 PolarHBondContact O-N 3.45Å; V431-A434 PolarHBondContact O-N 3.22Å; V431-A434 VanDerWaalsContact O-N 3.16Å; A434-T436 PolarHBondContact O-N 2.92Å; A434-A437 PolarHBondContact O-N 3.32Å; A434-A438 PolarHBondContact O-N 3.4Å |
| 435 | I | 95.3 | Very high | 93.5 | Very high | 9 Ų | 9 | 20 Ų | 20 | 5% | 0.046 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.1 | -41.5 | 179.6 | -63 | -54.8 | 0 | 0 | 0 | 110.9 | V431 E432 A438 Y439 R452 I455 L456 | V431-I435 HydrophobicContact CG1-CG1 3.92Å; V431-I435 WeakPolarHBondContact O-CB 3.19Å; V431-I435 VanDerWaalsContact O-CG1 3.26Å; V431-I435 WeakPolarHBondContact O-CG1 3.39Å; V431-I435 PolarHBondContact O-N 3.22Å; E432-I435 PolarHBondContact O-N 3.33Å; I435-A438 PolarHBondContact O-N 3.39Å; I435-Y439 WeakPolarHBondContact O-CB 3.38Å; I435-Y439 PolarHBondContact O-N 2.97Å; I435-R452 HydrophobicContact CG2-CG 3.88Å; I435-I455 HydrophobicContact CD1-CB 4.39Å; I435-I455 HydrophobicContact CD1-CG2 3.75Å; I435-I455 WeakPolarHBondContact CD1-O 3.19Å; I435-I455 HydrophobicContact CG2-CB 4.42Å; I435-I455 HydrophobicContact CG2-CG2 4.34Å; I435-L456 HydrophobicContact CG1-CD1 4.22Å |
| 436 | T | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 176.4 | -58.3 | 0 | 0 | 0 | 0 | 110.7 | T335 Y339 E432 A434 Y439 D440 | T335-T436 HydrophobicContact CG2-CG2 4.22Å; Y339-T436 HydrophobicContact CE2-CG2 4.33Å; Y339-T436 WeakPolarHBondContact OH-CG2 3.39Å; Y339-T436 PolarHBondContact OH-OG1 3.32Å; E432-T436 WeakPolarHBondContact O-CB 3.45Å; E432-T436 PolarHBondContact O-N 3.5Å; E432-T436 PolarHBondContact O-OG1 3.38Å; E432-T436 PolarHBondContact OE1-OG1 3.42Å; E432-T436 VanDerWaalsContact OE1-OG1 3.1Å; A434-T436 PolarHBondContact O-N 2.92Å; T436-Y439 PolarHBondContact O-N 2.87Å; T436-D440 WeakPolarHBondContact O-CB 3.43Å; T436-D440 PolarHBondContact O-N 3.37Å |
| 437 | A | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.9 | -47.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | S113 A115 I132 T433 A434 E441 | S113-A437 WeakPolarHBondContact OG-CA 3.23Å; A115-A437 HydrophobicContact CB-CB 3.64Å; I132-A437 HydrophobicContact CD1-CB 3.61Å; I132-A437 HydrophobicContact CG1-CB 3.66Å; T433-A437 WeakPolarHBondContact O-CB 3.28Å; T433-A437 PolarHBondContact O-N 3.5Å; T433-A437 VanDerWaalsContact O-N 3.08Å; A434-A437 PolarHBondContact O-N 3.32Å; A437-E441 PolarHBondContact O-N 3.04Å; A437-E441 VanDerWaalsContact O-N 3.13Å |
| 438 | A | 95.4 | Very high | 91.9 | Very high | 32 Ų | 32 | 30.4 Ų | 30.4 | 26% | 0.264 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -63.9 | -43.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A434 I435 E441 L442 I455 | A434-A438 PolarHBondContact O-N 3.4Å; I435-A438 PolarHBondContact O-N 3.39Å; A438-E441 PolarHBondContact O-N 3.4Å; A438-L442 VanDerWaalsContact O-CG 3.29Å; A438-L442 WeakPolarHBondContact O-CG 3.29Å; A438-L442 PolarHBondContact O-N 3.13Å; A438-I455 HydrophobicContact CB-CG2 3.85Å |
| 439 | Y | 94 | Very high | 91.6 | Very high | 29 Ų | 29 | 39 Ų | 39 | 11% | 0.114 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.9 | -47.8 | 179.5 | -172.8 | -123.6 | 0 | 0 | 0 | 111.7 | I435 T436 E441 L442 L443 R452 I455 | I435-Y439 WeakPolarHBondContact O-CB 3.38Å; I435-Y439 PolarHBondContact O-N 2.97Å; T436-Y439 PolarHBondContact O-N 2.87Å; Y439-E441 VanDerWaalsContact C-N 3.33Å; Y439-E441 PolarHBondContact O-N 3.28Å; Y439-L442 PolarHBondContact O-N 3.21Å; Y439-L443 HydrophobicContact CD1-CD1 3.83Å; Y439-L443 HydrophobicContact CD1-CG 4.46Å; Y439-L443 HydrophobicContact CD2-CG 4.34Å; Y439-L443 HydrophobicContact CE1-CD1 3.52Å; Y439-L443 HydrophobicContact CE1-CG 4.27Å; Y439-L443 HydrophobicContact CE2-CD1 4.27Å; Y439-L443 HydrophobicContact CE2-CD2 4.11Å; Y439-L443 HydrophobicContact CE2-CG 4.13Å; Y439-L443 HydrophobicContact CG-CD1 4.35Å; Y439-L443 VanDerWaalsContact O-CG 3.29Å; Y439-L443 WeakPolarHBondContact O-CG 3.47Å; Y439-L443 PolarHBondContact O-N 2.93Å; Y439-R452 HydrophobicContact CD2-CB 4.34Å; Y439-R452 HydrophobicContact CE2-CB 4.28Å; Y439-I455 HydrophobicContact CD2-CD1 3.67Å; Y439-I455 HydrophobicContact CG-CD1 4.22Å |
| 440 | D | 91.8 | Very high | 91.2 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.3 | -44.9 | 177.8 | -73 | -8.6 | 0 | 0 | 0 | 111.3 | R46 S113 T116 T436 L442 L443 H444 | R46-D440 WeakPolarHBondContact CD-OD1 3.29Å; R46-D440 IonicContact CZ-OD1 2.87Å; R46-D440 IonicContact CZ-OD2 3.3Å; R46-D440 IonicContact NE-OD1 3.38Å; R46-D440 PolarHBondContact NE-OD1 3.24Å; R46-D440 IonicContact NE-OD2 2.92Å; S113-D440 WeakPolarHBondContact CB-OD2 3.3Å; S113-D440 PolarHBondContact N-OD2 2.63Å; S113-D440 PolarHBondContact OG-OD2 3.32Å; T116-D440 HydrophobicContact CG2-CB 3.82Å; T436-D440 WeakPolarHBondContact O-CB 3.43Å; T436-D440 PolarHBondContact O-N 3.37Å; D440-L442 PolarHBondContact O-N 3.06Å; D440-L443 PolarHBondContact O-N 2.95Å; D440-H444 WeakPolarHBondContact O-CB 3.13Å; D440-H444 PolarHBondContact O-N 3.09Å; D440-H444 PolarHBondContact O-ND1 3.06Å |
| 441 | E | 91.6 | Very high | 91 | Very high | 25 Ų | 25 | 47 Ų | 47 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -39.9 | 178.7 | 179.2 | 70.2 | -155.5 | 0 | 0 | 111.8 | T116 K125 W129 A437 A438 Y439 H444 R445 | T116-E441 HydrophobicContact CG2-CB 4.39Å; K125-E441 IonicContact NZ-OE1 3.56Å; K125-E441 IonicContact NZ-OE2 3.97Å; K125-E441 PolarHBondContact NZ-OE2 3.03Å; W129-E441 HydrophobicContact CH2-CB 4.04Å; W129-E441 HydrophobicContact CH2-CG 4.13Å; W129-E441 HydrophobicContact CZ2-CB 4.06Å; W129-E441 HydrophobicContact CZ2-CG 3.87Å; A437-E441 PolarHBondContact O-N 3.04Å; A437-E441 VanDerWaalsContact O-N 3.13Å; A438-E441 PolarHBondContact O-N 3.4Å; Y439-E441 VanDerWaalsContact C-N 3.33Å; Y439-E441 PolarHBondContact O-N 3.28Å; E441-H444 PolarHBondContact O-N 3.2Å; E441-R445 WeakPolarHBondContact O-CG 3.26Å; E441-R445 PolarHBondContact O-N 3.37Å; E441-R445 IonicContact OE1-CZ 3.2Å; E441-R445 VanDerWaalsContact OE1-CZ 3.31Å; E441-R445 IonicContact OE1-NE 2.69Å; E441-R445 PolarHBondContact OE1-NE 3.46Å; E441-R445 IonicContact OE1-NH2 3.79Å; E441-R445 PolarHBondContact OE1-NH2 2.87Å |
| 442 | L | 91.7 | Very high | 90.7 | Very high | 44 Ų | 44 | 48.5 Ų | 48.5 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.2 | -42 | 175.5 | -72.1 | 173.4 | 0 | 0 | 0 | 111.8 | A438 Y439 D440 R445 G446 K447 V450 I455 | A438-L442 VanDerWaalsContact O-CG 3.29Å; A438-L442 WeakPolarHBondContact O-CG 3.29Å; A438-L442 PolarHBondContact O-N 3.13Å; Y439-L442 PolarHBondContact O-N 3.21Å; D440-L442 PolarHBondContact O-N 3.06Å; L442-R445 CarbonylContact O-C 3.49Å; L442-R445 PolarHBondContact O-N 2.66Å; L442-G446 PolarHBondContact O-N 3.49Å; L442-K447 HydrophobicContact CB-CB 4.34Å; L442-K447 HydrophobicContact CD2-CD 3.79Å; L442-K447 WeakPolarHBondContact O-CB 3.29Å; L442-K447 PolarHBondContact O-N 2.83Å; L442-V450 HydrophobicContact CD1-CB 4.49Å; L442-V450 HydrophobicContact CD1-CG1 4.13Å; L442-I455 HydrophobicContact CD1-CD1 3.67Å; L442-I455 HydrophobicContact CD1-CG1 4.27Å |
| 443 | L | 88.2 | Confident | 90.6 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 175.6 | -68.8 | 179.9 | 0 | 0 | 0 | 112 | L42 A45 Y439 D440 R445 G446 F448 | L42-L443 HydrophobicContact CD2-CB 3.46Å; L42-L443 VanDerWaalsContact CD2-CB 3.46Å; L42-L443 HydrophobicContact CD2-CD1 4.11Å; L42-L443 HydrophobicContact CD2-CG 4.3Å; A45-L443 HydrophobicContact CB-CD1 4.33Å; Y439-L443 HydrophobicContact CD1-CD1 3.83Å; Y439-L443 HydrophobicContact CD1-CG 4.46Å; Y439-L443 HydrophobicContact CD2-CG 4.34Å; Y439-L443 HydrophobicContact CE1-CD1 3.52Å; Y439-L443 HydrophobicContact CE1-CG 4.27Å; Y439-L443 HydrophobicContact CE2-CD1 4.27Å; Y439-L443 HydrophobicContact CE2-CD2 4.11Å; Y439-L443 HydrophobicContact CE2-CG 4.13Å; Y439-L443 HydrophobicContact CG-CD1 4.35Å; Y439-L443 VanDerWaalsContact O-CG 3.29Å; Y439-L443 WeakPolarHBondContact O-CG 3.47Å; Y439-L443 PolarHBondContact O-N 2.93Å; D440-L443 PolarHBondContact O-N 2.95Å; L443-R445 PolarHBondContact O-N 2.81Å; L443-G446 WeakPolarHBondContact O-CA 3.45Å; L443-G446 PolarHBondContact O-N 3.36Å; L443-F448 HydrophobicContact CD2-CD1 3.49Å; L443-F448 VanDerWaalsContact CD2-CD1 3.49Å; L443-F448 HydrophobicContact CD2-CE1 3.87Å; L443-F448 HydrophobicContact CD2-CG 4.22Å |
| 444 | H | 83.8 | Confident | 90.5 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 34% | 0.338 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.1 | -33 | 173.9 | -79.9 | 72.2 | 0 | 0 | 0 | 112 | R38 D440 E441 G446 | R38-H444 PolarHBondContact NH2-O 3.17Å; D440-H444 WeakPolarHBondContact O-CB 3.13Å; D440-H444 PolarHBondContact O-N 3.09Å; D440-H444 PolarHBondContact O-ND1 3.06Å; E441-H444 PolarHBondContact O-N 3.2Å; H444-G446 PolarHBondContact O-N 3.3Å |
| 445 | R | 86.9 | Confident | 90.4 | Very high | 170 Ų | 170 | 58.6 Ų | 58.6 | 64% | 0.642 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 1.3 | 171.7 | -66.7 | -179.4 | -170.3 | -159.5 | 5.8 | 114.3 | E441 L442 L443 | E441-R445 WeakPolarHBondContact O-CG 3.26Å; E441-R445 PolarHBondContact O-N 3.37Å; E441-R445 IonicContact OE1-CZ 3.2Å; E441-R445 VanDerWaalsContact OE1-CZ 3.31Å; E441-R445 IonicContact OE1-NE 2.69Å; E441-R445 PolarHBondContact OE1-NE 3.46Å; E441-R445 IonicContact OE1-NH2 3.79Å; E441-R445 PolarHBondContact OE1-NH2 2.87Å; L442-R445 CarbonylContact O-C 3.49Å; L442-R445 PolarHBondContact O-N 2.66Å; L443-R445 PolarHBondContact O-N 2.81Å |
| 446 | G | 83.5 | Confident | 90.5 | Very high | 31 Ų | 31 | 58.3 Ų | 58.3 | 32% | 0.32 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 11.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L442 L443 H444 F448 | L442-G446 PolarHBondContact O-N 3.49Å; L443-G446 WeakPolarHBondContact O-CA 3.45Å; L443-G446 PolarHBondContact O-N 3.36Å; H444-G446 PolarHBondContact O-N 3.3Å; G446-F448 VanDerWaalsContact C-N 3.26Å; G446-F448 WeakPolarHBondContact O-CD2 3.28Å; G446-F448 PolarHBondContact O-N 2.87Å |
| 447 | K | 87.3 | Confident | 90.6 | Very high | 116 Ų | 116 | 61.4 Ų | 61.4 | 50% | 0.504 | 29% | 0.294 | S | S | . | . | trans | -85 | 57.7 | -178.7 | -65.1 | -173.5 | 172.1 | -171.8 | 0 | 112.5 | L442 H449 V450 | L442-K447 HydrophobicContact CB-CB 4.34Å; L442-K447 HydrophobicContact CD2-CD 3.79Å; L442-K447 WeakPolarHBondContact O-CB 3.29Å; L442-K447 PolarHBondContact O-N 2.83Å; K447-H449 PolarHBondContact O-N 3.15Å; K447-V450 HydrophobicContact CB-CG2 4.36Å; K447-V450 PolarHBondContact O-N 3.13Å | ||
| 448 | F | 80.1 | Confident | 90.6 | Very high | 79 Ų | 79 | 66.3 Ų | 66.3 | 35% | 0.346 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.4 | -177.6 | -66.7 | -84.4 | 0 | 0 | 0 | 114.6 | R38 L42 L443 G446 V450 | R38-F448 HydrophobicContact CG-CZ 4.28Å; L42-F448 HydrophobicContact CD2-CE1 3.75Å; L42-F448 HydrophobicContact CD2-CZ 3.94Å; L42-F448 HydrophobicContact CG-CE1 4.4Å; L42-F448 HydrophobicContact CG-CZ 4.44Å; L443-F448 HydrophobicContact CD2-CD1 3.49Å; L443-F448 VanDerWaalsContact CD2-CD1 3.49Å; L443-F448 HydrophobicContact CD2-CE1 3.87Å; L443-F448 HydrophobicContact CD2-CG 4.22Å; G446-F448 VanDerWaalsContact C-N 3.26Å; G446-F448 WeakPolarHBondContact O-CD2 3.28Å; G446-F448 PolarHBondContact O-N 2.87Å; F448-V450 VanDerWaalsContact C-N 3.27Å; F448-V450 PolarHBondContact O-N 3.27Å |
| 449 | H | 84.8 | Confident | 90.6 | Very high | 179 Ų | 179 | 65.8 Ų | 65.8 | 83% | 0.829 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -20.2 | 179.6 | -56.1 | -66.8 | 0 | 0 | 0 | 113.7 | K447 K451 | K447-H449 PolarHBondContact O-N 3.15Å; H449-K451 PolarHBondContact O-N 2.99Å |
| 450 | V | 88.1 | Confident | 90.8 | Very high | 48 Ų | 48 | 64.5 Ų | 64.5 | 29% | 0.291 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -78.8 | 111.7 | -178.8 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | L442 K447 F448 I455 | L442-V450 HydrophobicContact CD1-CB 4.49Å; L442-V450 HydrophobicContact CD1-CG1 4.13Å; K447-V450 HydrophobicContact CB-CG2 4.36Å; K447-V450 PolarHBondContact O-N 3.13Å; F448-V450 VanDerWaalsContact C-N 3.27Å; F448-V450 PolarHBondContact O-N 3.27Å; V450-I455 HydrophobicContact CG1-CD1 4.33Å; V450-I455 HydrophobicContact CG1-CG1 4.04Å |
| 451 | K | 90.2 | Very high | 91.1 | Very high | 134 Ų | 134 | 66.9 Ų | 66.9 | 58% | 0.583 | 33% | 0.334 | S | S | * | . | trans | -73.2 | 139.9 | 177.1 | -62.5 | -176.9 | -179.7 | 177.8 | 0 | 110.7 | H449 V453 Y454 | H449-K451 PolarHBondContact O-N 2.99Å; K451-V453 PolarHBondContact O-N 2.86Å; K451-V453 VanDerWaalsContact O-N 3.15Å; K451-Y454 HydrophobicContact CB-CD2 3.83Å; K451-Y454 HydrophobicContact CB-CE2 3.93Å; K451-Y454 HydrophobicContact CB-CG 4.48Å; K451-Y454 HydrophobicContact CD-CE2 4.17Å; K451-Y454 HydrophobicContact CG-CD2 4.46Å; K451-Y454 HydrophobicContact CG-CE2 4.1Å; K451-Y454 WeakPolarHBondContact O-CB 3.32Å; K451-Y454 PolarHBondContact O-N 3.37Å | ||
| 452 | R | 91.9 | Very high | 91.4 | Very high | 35 Ų | 35 | 68 Ų | 68 | 13% | 0.132 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -50.7 | -38.2 | 176.1 | -175.1 | -179 | 170.5 | -72 | -9.9 | 113.5 | L259 G262 E432 I435 Y439 Y454 I455 L456 | L259-R452 PolarHBondContact O-NH1 3.45Å; G262-R452 VanDerWaalsContact N-NH1 3.16Å; E432-R452 IonicContact OE1-CZ 3.35Å; E432-R452 IonicContact OE1-NE 3.71Å; E432-R452 IonicContact OE1-NH2 2.81Å; E432-R452 PolarHBondContact OE1-NH2 3.18Å; E432-R452 IonicContact OE2-CZ 2.8Å; E432-R452 IonicContact OE2-NH2 3.82Å; E432-R452 PolarHBondContact OE2-NH2 2.8Å; I435-R452 HydrophobicContact CG2-CG 3.88Å; Y439-R452 HydrophobicContact CD2-CB 4.34Å; Y439-R452 HydrophobicContact CE2-CB 4.28Å; R452-Y454 VanDerWaalsContact C-N 3.27Å; R452-Y454 PolarHBondContact O-N 3.36Å; R452-I455 WeakPolarHBondContact O-CB 3.29Å; R452-I455 PolarHBondContact O-N 3.36Å; R452-I455 VanDerWaalsContact O-N 3.14Å; R452-L456 PolarHBondContact O-N 2.79Å |
| 453 | V | 93.2 | Very high | 91.6 | Very high | 59 Ų | 59 | 66.4 Ų | 66.4 | 36% | 0.358 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.3 | -36.3 | 178.7 | 175.5 | 0 | 0 | 0 | 0 | 112 | K451 I455 L456 T457 | K451-V453 PolarHBondContact O-N 2.86Å; K451-V453 VanDerWaalsContact O-N 3.15Å; V453-I455 VanDerWaalsContact C-N 3.35Å; V453-I455 PolarHBondContact O-N 3.08Å; V453-L456 WeakPolarHBondContact O-CB 3.21Å; V453-L456 PolarHBondContact O-N 3.01Å; V453-T457 PolarHBondContact O-N 3.24Å; V453-T457 PolarHBondContact O-OG1 2.88Å; V453-T457 VanDerWaalsContact O-OG1 3.05Å |
| 454 | Y | 94.6 | Very high | 92.1 | Very high | 137 Ų | 137 | 67.9 Ų | 67.9 | 54% | 0.537 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | 177.5 | -58.9 | -39.7 | 0 | 0 | 0 | 112.2 | K451 R452 L456 T457 V458 | K451-Y454 HydrophobicContact CB-CD2 3.83Å; K451-Y454 HydrophobicContact CB-CE2 3.93Å; K451-Y454 HydrophobicContact CB-CG 4.48Å; K451-Y454 HydrophobicContact CD-CE2 4.17Å; K451-Y454 HydrophobicContact CG-CD2 4.46Å; K451-Y454 HydrophobicContact CG-CE2 4.1Å; K451-Y454 WeakPolarHBondContact O-CB 3.32Å; K451-Y454 PolarHBondContact O-N 3.37Å; R452-Y454 VanDerWaalsContact C-N 3.27Å; R452-Y454 PolarHBondContact O-N 3.36Å; Y454-L456 VanDerWaalsContact C-N 3.34Å; Y454-T457 PolarHBondContact O-N 2.66Å; Y454-V458 WeakPolarHBondContact O-CB 3.31Å; Y454-V458 VanDerWaalsContact O-CG2 3.3Å; Y454-V458 WeakPolarHBondContact O-CG2 3.43Å; Y454-V458 PolarHBondContact O-N 3.09Å |
| 455 | I | 95.6 | Very high | 92.8 | Very high | 23 Ų | 23 | 69.4 Ų | 69.4 | 12% | 0.118 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 175.8 | -49.6 | 175.5 | 0 | 0 | 0 | 109.5 | I435 A438 Y439 L442 V450 R452 V453 G459 | I435-I455 HydrophobicContact CD1-CB 4.39Å; I435-I455 HydrophobicContact CD1-CG2 3.75Å; I435-I455 WeakPolarHBondContact CD1-O 3.19Å; I435-I455 HydrophobicContact CG2-CB 4.42Å; I435-I455 HydrophobicContact CG2-CG2 4.34Å; A438-I455 HydrophobicContact CB-CG2 3.85Å; Y439-I455 HydrophobicContact CD2-CD1 3.67Å; Y439-I455 HydrophobicContact CG-CD1 4.22Å; L442-I455 HydrophobicContact CD1-CD1 3.67Å; L442-I455 HydrophobicContact CD1-CG1 4.27Å; V450-I455 HydrophobicContact CG1-CD1 4.33Å; V450-I455 HydrophobicContact CG1-CG1 4.04Å; R452-I455 WeakPolarHBondContact O-CB 3.29Å; R452-I455 PolarHBondContact O-N 3.36Å; R452-I455 VanDerWaalsContact O-N 3.14Å; V453-I455 VanDerWaalsContact C-N 3.35Å; V453-I455 PolarHBondContact O-N 3.08Å; I455-G459 PolarHBondContact O-N 2.81Å |
| 456 | L | 96.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.016 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.9 | -52.6 | 175.8 | 176.6 | 66.1 | 0 | 0 | 0 | 111.5 | M256 L259 V431 I435 R452 V453 Y454 V458 G459 C460 | M256-L456 HydrophobicContact CG-CD1 4.48Å; M256-L456 HydrophobicContact CG-CG 4.31Å; L259-L456 HydrophobicContact CB-CD1 3.95Å; L259-L456 HydrophobicContact CB-CD2 3.85Å; L259-L456 HydrophobicContact CD1-CD1 4Å; V431-L456 HydrophobicContact CG1-CD1 3.95Å; I435-L456 HydrophobicContact CG1-CD1 4.22Å; R452-L456 PolarHBondContact O-N 2.79Å; V453-L456 WeakPolarHBondContact O-CB 3.21Å; V453-L456 PolarHBondContact O-N 3.01Å; Y454-L456 VanDerWaalsContact C-N 3.34Å; L456-V458 PolarHBondContact O-N 3.4Å; L456-G459 PolarHBondContact O-N 3.45Å; L456-C460 WeakPolarHBondContact O-CB 3.43Å; L456-C460 PolarHBondContact O-N 3.43Å; L456-C460 PolarHBondContact O-SG 3.34Å |
| 457 | T | 97 | Very high | 93.9 | Very high | 65 Ų | 65 | 64.1 Ų | 64.1 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | -177.9 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | V453 Y454 S461 | V453-T457 PolarHBondContact O-N 3.24Å; V453-T457 PolarHBondContact O-OG1 2.88Å; V453-T457 VanDerWaalsContact O-OG1 3.05Å; Y454-T457 PolarHBondContact O-N 2.66Å; T457-S461 VanDerWaalsContact O-CB 3.26Å; T457-S461 WeakPolarHBondContact O-CB 3.4Å; T457-S461 PolarHBondContact O-N 3.48Å; T457-S461 PolarHBondContact O-OG 3Å |
| 458 | V | 96.8 | Very high | 94.3 | Very high | 102 Ų | 102 | 60.3 Ų | 60.3 | 62% | 0.618 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.9 | -43.6 | 178.3 | 172.6 | 0 | 0 | 0 | 0 | 111 | Y454 L456 S461 A462 | Y454-V458 WeakPolarHBondContact O-CB 3.31Å; Y454-V458 VanDerWaalsContact O-CG2 3.3Å; Y454-V458 WeakPolarHBondContact O-CG2 3.43Å; Y454-V458 PolarHBondContact O-N 3.09Å; L456-V458 PolarHBondContact O-N 3.4Å; V458-S461 PolarHBondContact O-N 2.9Å; V458-A462 WeakPolarHBondContact O-CB 3.35Å; V458-A462 PolarHBondContact O-N 3.44Å |
| 459 | G | 96.1 | Very high | 95.1 | Very high | 22 Ų | 22 | 62.6 Ų | 62.6 | 23% | 0.227 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.8 | -55.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | I455 L456 S461 A462 M463 | I455-G459 PolarHBondContact O-N 2.81Å; L456-G459 PolarHBondContact O-N 3.45Å; G459-S461 VanDerWaalsContact C-N 3.3Å; G459-S461 PolarHBondContact O-N 2.99Å; G459-A462 PolarHBondContact O-N 3.38Å; G459-M463 WeakPolarHBondContact O-CG 3.45Å; G459-M463 PolarHBondContact O-N 3.35Å |
| 460 | C | 97.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.007 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -36.8 | 178.3 | -69.1 | 0 | 0 | 0 | 0 | 112.6 | W252 M256 L456 M463 F464 | W252-C460 HydrophobicContact CE3-CB 3.72Å; W252-C460 HydrophobicContact CZ3-CB 4.18Å; M256-C460 HydrophobicContact CE-CB 4.39Å; M256-C460 HydrophobicContact CG-CB 3.54Å; M256-C460 WeakPolarHBondContact CG-SG 3.39Å; M256-C460 HydrophobicContact SD-CB 3.57Å; M256-C460 VanDerWaalsContact SD-CB 3.57Å; L456-C460 WeakPolarHBondContact O-CB 3.43Å; L456-C460 PolarHBondContact O-N 3.43Å; L456-C460 PolarHBondContact O-SG 3.34Å; C460-M463 PolarHBondContact O-N 2.83Å; C460-F464 WeakPolarHBondContact O-CB 3.32Å; C460-F464 PolarHBondContact O-N 3.49Å |
| 461 | S | 97.7 | Very high | 96 | Very high | 55 Ų | 55 | 52.7 Ų | 52.7 | 39% | 0.385 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 175.7 | -58 | 0 | 0 | 0 | 0 | 111.8 | T457 V458 G459 F464 L465 | T457-S461 VanDerWaalsContact O-CB 3.26Å; T457-S461 WeakPolarHBondContact O-CB 3.4Å; T457-S461 PolarHBondContact O-N 3.48Å; T457-S461 PolarHBondContact O-OG 3Å; V458-S461 PolarHBondContact O-N 2.9Å; G459-S461 VanDerWaalsContact C-N 3.3Å; G459-S461 PolarHBondContact O-N 2.99Å; S461-F464 PolarHBondContact O-N 2.94Å; S461-L465 WeakPolarHBondContact O-CG 3.27Å; S461-L465 PolarHBondContact O-N 3.49Å; S461-L465 VanDerWaalsContact O-N 3.13Å |
| 462 | A | 97.5 | Very high | 96.3 | Very high | 48 Ų | 48 | 47.2 Ų | 47.2 | 40% | 0.397 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V458 G459 L465 L466 | V458-A462 WeakPolarHBondContact O-CB 3.35Å; V458-A462 PolarHBondContact O-N 3.44Å; G459-A462 PolarHBondContact O-N 3.38Å; A462-L465 PolarHBondContact O-N 2.93Å; A462-L466 WeakPolarHBondContact O-CG 3.31Å; A462-L466 PolarHBondContact O-N 3.13Å |
| 463 | M | 96.9 | Very high | 96.5 | Very high | 11 Ų | 11 | 48.4 Ų | 48.4 | 5% | 0.054 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.9 | -31.8 | 178.9 | -63.4 | 178.2 | 89.2 | 0 | 0 | 113 | L136 S139 I140 W252 G459 C460 G467 | L136-M463 HydrophobicContact CB-CE 3.93Å; L136-M463 HydrophobicContact CD2-CE 3.37Å; L136-M463 HydrophobicContact CD2-SD 3.49Å; L136-M463 WeakPolarHBondContact CD2-SD 3.4Å; L136-M463 HydrophobicContact CG-CE 4.26Å; L136-M463 WeakPolarHBondContact O-CE 3.37Å; S139-M463 WeakPolarHBondContact OG-CE 3.3Å; I140-M463 HydrophobicContact CD1-CE 4.37Å; I140-M463 HydrophobicContact CG1-CB 4.04Å; I140-M463 HydrophobicContact CG1-CE 3.68Å; I140-M463 HydrophobicContact CG1-CG 4.28Å; W252-M463 HydrophobicContact CH2-CB 3.35Å; W252-M463 HydrophobicContact CH2-CE 3.83Å; W252-M463 HydrophobicContact CH2-CG 4.09Å; W252-M463 HydrophobicContact CH2-SD 3.59Å; W252-M463 VanDerWaalsContact CH2-SD 3.59Å; W252-M463 HydrophobicContact CZ2-CB 3.34Å; W252-M463 HydrophobicContact CZ2-CG 4.47Å; W252-M463 HydrophobicContact CZ2-SD 4.48Å; W252-M463 HydrophobicContact CZ3-CB 4.07Å; W252-M463 HydrophobicContact CZ3-SD 4.07Å; G459-M463 WeakPolarHBondContact O-CG 3.45Å; G459-M463 PolarHBondContact O-N 3.35Å; C460-M463 PolarHBondContact O-N 2.83Å; M463-G467 PolarHBondContact O-N 2.84Å |
| 464 | F | 97.9 | Very high | 96.6 | Very high | 35 Ų | 35 | 45.6 Ų | 45.6 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60 | -48.7 | 168.5 | 166.4 | -103.7 | 0 | 0 | 0 | 111 | V245 L248 F249 W252 C460 S461 L466 G467 L468 | V245-F464 HydrophobicContact CG1-CZ 4.49Å; L248-F464 HydrophobicContact CD2-CD2 4.15Å; L248-F464 HydrophobicContact CD2-CE2 4.28Å; L248-F464 HydrophobicContact CG-CD2 4.01Å; L248-F464 HydrophobicContact CG-CE2 4.22Å; F249-F464 HydrophobicContact CB-CD2 4.4Å; F249-F464 HydrophobicContact CB-CE2 3.72Å; F249-F464 HydrophobicContact CB-CZ 4.19Å; F249-F464 HydrophobicContact CD2-CD2 4.34Å; F249-F464 HydrophobicContact CD2-CE1 4.37Å; F249-F464 HydrophobicContact CD2-CE2 4.04Å; F249-F464 HydrophobicContact CD2-CZ 4.04Å; F249-F464 HydrophobicContact CG-CE2 4.39Å; W252-F464 AromaticContact CD1-CD2 3.83Å; W252-F464 HydrophobicContact CG-CB 4.06Å; C460-F464 WeakPolarHBondContact O-CB 3.32Å; C460-F464 PolarHBondContact O-N 3.49Å; S461-F464 PolarHBondContact O-N 2.94Å; F464-L466 PolarHBondContact O-N 3.36Å; F464-G467 WeakPolarHBondContact O-CA 3.41Å; F464-G467 PolarHBondContact O-N 3.22Å; F464-L468 HydrophobicContact CE2-CD2 4.23Å; F464-L468 HydrophobicContact CZ-CD2 4.07Å; F464-L468 PolarHBondContact O-N 3.5Å |
| 465 | L | 97.9 | Very high | 96.6 | Very high | 105 Ų | 105 | 39.1 Ų | 39.1 | 55% | 0.55 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 179 | -67.2 | 174 | 0 | 0 | 0 | 112.1 | S461 A462 G467 L468 | S461-L465 WeakPolarHBondContact O-CG 3.27Å; S461-L465 PolarHBondContact O-N 3.49Å; S461-L465 VanDerWaalsContact O-N 3.13Å; A462-L465 PolarHBondContact O-N 2.93Å; L465-G467 VanDerWaalsContact C-N 3.31Å; L465-L468 HydrophobicContact CD2-CD1 4.3Å; L465-L468 WeakPolarHBondContact O-CB 3.25Å; L465-L468 PolarHBondContact O-N 3.27Å |
| 466 | L | 96.2 | Very high | 96.4 | Very high | 89 Ų | 89 | 38.3 Ų | 38.3 | 47% | 0.466 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.1 | -31.9 | 173.3 | -67.9 | 173.9 | 0 | 0 | 0 | 112.2 | I140 A462 F464 L468 F469 | I140-L466 HydrophobicContact CD1-CB 3.91Å; I140-L466 HydrophobicContact CD1-CD1 4.02Å; A462-L466 WeakPolarHBondContact O-CG 3.31Å; A462-L466 PolarHBondContact O-N 3.13Å; F464-L466 PolarHBondContact O-N 3.36Å; L466-L468 PolarHBondContact O-N 3.05Å; L466-F469 WeakPolarHBondContact O-CD2 3.41Å; L466-F469 PolarHBondContact O-N 3.46Å |
| 467 | G | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.5 | -24.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I140 M463 F464 L465 F469 F470 V471 | I140-G467 VanDerWaalsContact CG2-CA 3.48Å; M463-G467 PolarHBondContact O-N 2.84Å; F464-G467 WeakPolarHBondContact O-CA 3.41Å; F464-G467 PolarHBondContact O-N 3.22Å; L465-G467 VanDerWaalsContact C-N 3.31Å; G467-F469 PolarHBondContact O-N 3Å; G467-F470 WeakPolarHBondContact O-CB 3.46Å; G467-F470 PolarHBondContact O-N 2.96Å; G467-V471 PolarHBondContact O-N 2.88Å |
| 468 | L | 97.4 | Very high | 96.1 | Very high | 36 Ų | 36 | 37 Ų | 37 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -60.5 | -28.7 | 177.2 | -63 | 178.3 | 0 | 0 | 0 | 112.8 | L240 V245 L248 F464 L465 L466 F470 V471 | L240-L468 HydrophobicContact CD2-CB 4.02Å; L240-L468 VanDerWaalsContact CD2-O 3.23Å; L240-L468 WeakPolarHBondContact CD2-O 3.48Å; V245-L468 HydrophobicContact CG1-CD2 4.17Å; V245-L468 HydrophobicContact CG2-CD2 4.33Å; L248-L468 HydrophobicContact CD2-CD2 4.31Å; F464-L468 HydrophobicContact CE2-CD2 4.23Å; F464-L468 HydrophobicContact CZ-CD2 4.07Å; F464-L468 PolarHBondContact O-N 3.5Å; L465-L468 HydrophobicContact CD2-CD1 4.3Å; L465-L468 WeakPolarHBondContact O-CB 3.25Å; L465-L468 PolarHBondContact O-N 3.27Å; L466-L468 PolarHBondContact O-N 3.05Å; L468-F470 PolarHBondContact O-N 3.33Å; L468-V471 PolarHBondContact O-N 2.67Å; L468-V471 VanDerWaalsContact O-N 3.09Å |
| 469 | F | 95.1 | Very high | 95.9 | Very high | 128 Ų | 128 | 32.8 Ų | 32.8 | 56% | 0.561 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | -64.1 | -26.8 | 174.6 | -72.2 | -75.4 | 0 | 0 | 0 | 113.3 | M237 L466 G467 T472 L478 | M237-F469 VanDerWaalsContact CE-O 3.31Å; M237-F469 WeakPolarHBondContact CE-O 3.31Å; L466-F469 WeakPolarHBondContact O-CD2 3.41Å; L466-F469 PolarHBondContact O-N 3.46Å; G467-F469 PolarHBondContact O-N 3Å; F469-T472 PolarHBondContact O-OG1 3.32Å; F469-L478 HydrophobicContact CB-CD2 3.94Å |
| 470 | F | 95.8 | Very high | 95.6 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -89.5 | -6 | 177.2 | -62.8 | -85.9 | 0 | 0 | 0 | 112.6 | I140 V144 G467 L468 L478 L479 V482 | I140-F470 HydrophobicContact CG2-CD2 3.75Å; I140-F470 HydrophobicContact CG2-CE2 3.67Å; V144-F470 HydrophobicContact CG1-CB 4.37Å; V144-F470 HydrophobicContact CG2-CB 3.78Å; G467-F470 WeakPolarHBondContact O-CB 3.46Å; G467-F470 PolarHBondContact O-N 2.96Å; L468-F470 PolarHBondContact O-N 3.33Å; F470-L478 HydrophobicContact CD1-CB 4.4Å; F470-L478 HydrophobicContact CD1-CD2 4.2Å; F470-L478 HydrophobicContact CD1-CG 4.09Å; F470-L478 HydrophobicContact CE1-CB 4.45Å; F470-L478 HydrophobicContact CE1-CD2 4.09Å; F470-L478 HydrophobicContact CE1-CG 3.77Å; F470-L478 HydrophobicContact CZ-CD2 4.34Å; F470-L478 HydrophobicContact CZ-CG 4.33Å; F470-L479 HydrophobicContact CD1-CB 3.91Å; F470-L479 HydrophobicContact CE1-CB 4.38Å; F470-V482 HydrophobicContact CE1-CB 4.29Å; F470-V482 HydrophobicContact CE1-CG2 4.11Å; F470-V482 HydrophobicContact CZ-CB 4.49Å; F470-V482 HydrophobicContact CZ-CG2 4.14Å |
| 471 | V | 96.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -108.1 | 18.6 | 179.3 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | V144 V241 L244 V245 L248 G467 L468 | V144-V471 HydrophobicContact CG1-CG2 4.16Å; V144-V471 HydrophobicContact CG2-CG2 4.24Å; V241-V471 HydrophobicContact CB-CG1 4.45Å; V241-V471 PolarHBondContact N-O 2.93Å; L244-V471 HydrophobicContact CB-CG1 3.34Å; L244-V471 HydrophobicContact CD1-CG1 4.34Å; V245-V471 HydrophobicContact CG2-CG1 4.05Å; L248-V471 HydrophobicContact CB-CG2 4.34Å; L248-V471 HydrophobicContact CD2-CG2 3.69Å; L248-V471 HydrophobicContact CG-CG2 4.49Å; G467-V471 PolarHBondContact O-N 2.88Å; L468-V471 PolarHBondContact O-N 2.67Å; L468-V471 VanDerWaalsContact O-N 3.09Å |
| 472 | T | 97.2 | Very high | 94.9 | Very high | 19 Ų | 19 | 31.9 Ų | 31.9 | 12% | 0.117 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -86.3 | 168.9 | 165.1 | 73.2 | 0 | 0 | 0 | 0 | 110.2 | M237 G239 L240 F469 G474 G475 | M237-T472 VanDerWaalsContact CE-OG1 3.25Å; M237-T472 WeakPolarHBondContact CE-OG1 3.5Å; M237-T472 WeakPolarHBondContact O-CB 3.48Å; M237-T472 PolarHBondContact O-OG1 3.11Å; M237-T472 VanDerWaalsContact O-OG1 3.09Å; G239-T472 WeakPolarHBondContact O-CA 3.31Å; L240-T472 HydrophobicContact CD2-CG2 3.92Å; F469-T472 PolarHBondContact O-OG1 3.32Å; T472-G474 VanDerWaalsContact C-N 3.25Å; T472-G474 PolarHBondContact O-N 3.22Å; T472-G475 WeakPolarHBondContact O-CA 3.44Å; T472-G475 PolarHBondContact O-N 3.09Å; T472-G475 PolarHBondContact OG1-N 3.31Å |
| 473 | K | 96.6 | Very high | 94.3 | Very high | 61 Ų | 61 | 31.7 Ų | 31.7 | 27% | 0.265 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -34.3 | 178.6 | -59.7 | -168.8 | 174.3 | -149 | 0 | 113.2 | E229 I230 S231 M237 D238 G239 V241 G475 | E229-K473 HydrophobicContact CB-CD 4.27Å; E229-K473 HydrophobicContact CB-CG 4.25Å; E229-K473 VanDerWaalsContact O-CB 3.23Å; E229-K473 WeakPolarHBondContact O-CB 3.43Å; E229-K473 WeakPolarHBondContact O-CD 3.33Å; E229-K473 VanDerWaalsContact O-CG 3.31Å; E229-K473 WeakPolarHBondContact O-CG 3.32Å; E229-K473 WeakPolarHBondContact OE2-CE 3.49Å; E229-K473 IonicContact OE2-NZ 3.64Å; E229-K473 PolarHBondContact OE2-NZ 3.39Å; I230-K473 WeakPolarHBondContact CA-O 3.37Å; S231-K473 PolarHBondContact N-O 2.95Å; S231-K473 VanDerWaalsContact N-O 3.14Å; M237-K473 PolarHBondContact O-N 2.95Å; M237-K473 VanDerWaalsContact O-N 3.15Å; D238-K473 HydrophobicContact CB-CB 4.02Å; D238-K473 HydrophobicContact CB-CD 3.91Å; D238-K473 HydrophobicContact CB-CG 4.12Å; G239-K473 PolarHBondContact O-N 3.41Å; V241-K473 HydrophobicContact CG2-CG 4.09Å; K473-G475 VanDerWaalsContact C-N 3.32Å |
| 474 | G | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 3.7 | 171 | 0 | 0 | 0 | 0 | 0 | 114.9 | S231 M237 T472 I476 Y477 L478 | S231-G474 VanDerWaalsContact OG-CA 3.25Å; S231-G474 WeakPolarHBondContact OG-CA 3.33Å; S231-G474 PolarHBondContact OG-N 3.4Å; M237-G474 PolarHBondContact O-N 2.98Å; T472-G474 VanDerWaalsContact C-N 3.25Å; T472-G474 PolarHBondContact O-N 3.22Å; G474-I476 VanDerWaalsContact C-N 3.3Å; G474-I476 PolarHBondContact O-N 2.85Å; G474-Y477 WeakPolarHBondContact O-CB 3.44Å; G474-Y477 PolarHBondContact O-N 2.86Å; G474-Y477 VanDerWaalsContact O-N 3.11Å; G474-L478 PolarHBondContact O-N 2.9Å |
| 475 | G | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -29.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T472 K473 Y477 L478 L479 | T472-G475 WeakPolarHBondContact O-CA 3.44Å; T472-G475 PolarHBondContact O-N 3.09Å; T472-G475 PolarHBondContact OG1-N 3.31Å; K473-G475 VanDerWaalsContact C-N 3.32Å; G475-Y477 VanDerWaalsContact C-N 3.34Å; G475-Y477 PolarHBondContact O-N 2.77Å; G475-L478 PolarHBondContact O-N 3.26Å; G475-L479 PolarHBondContact O-N 3.43Å |
| 476 | I | 92.5 | Very high | 92.1 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.2 | -33.9 | 175.9 | -168.3 | 63.5 | 0 | 0 | 0 | 112.3 | Y148 L228 I230 G474 L479 H480 M556 | Y148-I476 HydrophobicContact CE2-CD1 4.49Å; L228-I476 HydrophobicContact CD1-CB 4.14Å; L228-I476 HydrophobicContact CD1-CG1 4.12Å; L228-I476 HydrophobicContact CD1-CG2 4.26Å; I230-I476 HydrophobicContact CD1-CG2 3.6Å; I230-I476 HydrophobicContact CG1-CG2 3.84Å; G474-I476 VanDerWaalsContact C-N 3.3Å; G474-I476 PolarHBondContact O-N 2.85Å; I476-L479 WeakPolarHBondContact O-CB 3.17Å; I476-L479 PolarHBondContact O-N 3.45Å; I476-H480 WeakPolarHBondContact O-CB 2.87Å; I476-H480 PolarHBondContact O-N 3.27Å; I476-M556 HydrophobicContact CG1-CE 3.87Å; I476-M556 HydrophobicContact CG2-CE 4.19Å |
| 477 | Y | 93 | Very high | 91.4 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 8% | 0.075 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.7 | -40.3 | 174.2 | -60.4 | -74.1 | 0 | 0 | 0 | 110.9 | I230 S231 G233 I234 G474 G475 H480 L481 M556 Y560 Y562 | I230-Y477 HydrophobicContact CD1-CE2 4.07Å; I230-Y477 HydrophobicContact CG1-CE2 3.87Å; S231-Y477 WeakPolarHBondContact O-CE2 3.32Å; S231-Y477 PolarHBondContact O-OH 3.38Å; S231-Y477 VanDerWaalsContact O-OH 3.06Å; G233-Y477 VanDerWaalsContact CA-CE2 3.47Å; I234-Y477 HydrophobicContact CB-CG 4.5Å; G474-Y477 WeakPolarHBondContact O-CB 3.44Å; G474-Y477 PolarHBondContact O-N 2.86Å; G474-Y477 VanDerWaalsContact O-N 3.11Å; G475-Y477 VanDerWaalsContact C-N 3.34Å; G475-Y477 PolarHBondContact O-N 2.77Å; Y477-H480 PolarHBondContact O-N 3.42Å; Y477-L481 VanDerWaalsContact O-CB 3.3Å; Y477-L481 WeakPolarHBondContact O-CB 3.29Å; Y477-L481 PolarHBondContact O-N 3.39Å; Y477-M556 HydrophobicContact CD1-SD 3.46Å; Y477-M556 WeakPolarHBondContact CD1-SD 3.39Å; Y477-M556 HydrophobicContact CE1-SD 3.63Å; Y477-M556 HydrophobicContact CG-SD 4.38Å; Y477-Y560 AromaticContact CD1-CD1 3.78Å; Y477-Y560 HydrophobicContact CD1-CD1 3.78Å; Y477-Y560 AromaticContact CD1-CE1 3.69Å; Y477-Y560 HydrophobicContact CD1-CE1 3.69Å; Y477-Y560 AromaticContact CE1-CD1 3.62Å; Y477-Y560 HydrophobicContact CE1-CD1 3.62Å; Y477-Y560 AromaticContact CE1-CE1 3.88Å; Y477-Y560 HydrophobicContact CE1-CE1 3.88Å; Y477-Y560 AromaticContact CE1-CG 3.97Å; Y477-Y560 HydrophobicContact CE1-CG 3.97Å; Y477-Y560 HydrophobicContact CG-CE1 4.46Å; Y477-Y562 VanDerWaalsContact CA-OH 3.31Å; Y477-Y562 WeakPolarHBondContact CA-OH 3.37Å; Y477-Y562 PolarHBondContact O-OH 3.37Å; Y477-Y562 VanDerWaalsContact O-OH 3.13Å |
| 478 | L | 93.4 | Very high | 90.7 | Very high | 22 Ų | 22 | 25.6 Ų | 25.6 | 12% | 0.115 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 173.7 | -178.2 | 62.8 | 0 | 0 | 0 | 111.5 | M237 F469 F470 G474 G475 L481 V482 I573 | M237-L478 HydrophobicContact CE-CB 4.15Å; M237-L478 HydrophobicContact CE-CD2 3.92Å; F469-L478 HydrophobicContact CB-CD2 3.94Å; F470-L478 HydrophobicContact CD1-CB 4.4Å; F470-L478 HydrophobicContact CD1-CD2 4.2Å; F470-L478 HydrophobicContact CD1-CG 4.09Å; F470-L478 HydrophobicContact CE1-CB 4.45Å; F470-L478 HydrophobicContact CE1-CD2 4.09Å; F470-L478 HydrophobicContact CE1-CG 3.77Å; F470-L478 HydrophobicContact CZ-CD2 4.34Å; F470-L478 HydrophobicContact CZ-CG 4.33Å; G474-L478 PolarHBondContact O-N 2.9Å; G475-L478 PolarHBondContact O-N 3.26Å; L478-L481 HydrophobicContact CD1-CD2 4.42Å; L478-L481 PolarHBondContact O-N 2.8Å; L478-V482 HydrophobicContact CD1-CG2 4.08Å; L478-V482 HydrophobicContact CG-CG2 4.4Å; L478-V482 WeakPolarHBondContact O-CB 3.14Å; L478-V482 VanDerWaalsContact O-CG2 3.29Å; L478-V482 WeakPolarHBondContact O-CG2 3.26Å; L478-V482 PolarHBondContact O-N 2.88Å; L478-I573 HydrophobicContact CD1-CD1 4.48Å |
| 479 | L | 92.2 | Very high | 90.2 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 7% | 0.068 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.2 | -51.7 | 175.3 | -170.7 | 154.9 | 0 | 0 | 0 | 110.7 | Y141 L145 F470 G475 I476 L481 V482 D483 | Y141-L479 HydrophobicContact CD2-CD1 4.42Å; Y141-L479 HydrophobicContact CD2-CD2 4.34Å; Y141-L479 HydrophobicContact CD2-CG 4.16Å; Y141-L479 HydrophobicContact CG-CG 4.21Å; L145-L479 HydrophobicContact CD2-CD1 4.08Å; F470-L479 HydrophobicContact CD1-CB 3.91Å; F470-L479 HydrophobicContact CE1-CB 4.38Å; G475-L479 PolarHBondContact O-N 3.43Å; I476-L479 WeakPolarHBondContact O-CB 3.17Å; I476-L479 PolarHBondContact O-N 3.45Å; L479-L481 VanDerWaalsContact C-N 3.34Å; L479-L481 PolarHBondContact O-N 2.91Å; L479-V482 PolarHBondContact O-N 2.91Å; L479-D483 WeakPolarHBondContact O-CB 3.09Å; L479-D483 PolarHBondContact O-N 3.08Å |
| 480 | H | 89.5 | Confident | 90 | Very high | 58 Ų | 58 | 18.7 Ų | 18.7 | 27% | 0.269 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -60.5 | -42.7 | 179.4 | -178.9 | -106.8 | 0 | 0 | 0 | 112.1 | I476 Y477 Q484 F554 R555 M556 Y562 | I476-H480 WeakPolarHBondContact O-CB 2.87Å; I476-H480 PolarHBondContact O-N 3.27Å; Y477-H480 PolarHBondContact O-N 3.42Å; H480-Q484 WeakPolarHBondContact O-CB 3.31Å; H480-Q484 PolarHBondContact O-N 3.46Å; H480-F554 AromaticContact CE1-CE2 3.36Å; H480-F554 WeakPolarHBondContact CE1-CE2 3.29Å; H480-F554 AromaticContact CE1-CZ 3.27Å; H480-F554 WeakPolarHBondContact CE1-CZ 3.49Å; H480-F554 AromaticContact ND1-CE1 3.81Å; H480-F554 AromaticContact ND1-CE2 3.79Å; H480-F554 AromaticContact ND1-CZ 3.17Å; H480-F554 WeakPolarHBondContact ND1-CZ 3.39Å; H480-R555 PolarHBondContact CE1-O 3.44Å; H480-R555 VanDerWaalsContact CE1-O 3.31Å; H480-M556 HydrophobicContact CB-SD 4.45Å; H480-Y562 AromaticContact ND1-CE2 3.66Å; H480-Y562 AromaticContact ND1-CZ 3.63Å; H480-Y562 PolarHBondContact ND1-OH 3.42Å; H480-Y562 VanDerWaalsContact ND1-OH 3.1Å |
| 481 | L | 90.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.6 | -48.4 | 174.6 | 179.5 | 72.2 | 0 | 0 | 0 | 112 | I234 Y477 L478 L479 Y485 F554 Y562 A566 V569 | I234-L481 HydrophobicContact CD1-CD2 3.76Å; Y477-L481 VanDerWaalsContact O-CB 3.3Å; Y477-L481 WeakPolarHBondContact O-CB 3.29Å; Y477-L481 PolarHBondContact O-N 3.39Å; L478-L481 HydrophobicContact CD1-CD2 4.42Å; L478-L481 PolarHBondContact O-N 2.8Å; L479-L481 VanDerWaalsContact C-N 3.34Å; L479-L481 PolarHBondContact O-N 2.91Å; L481-Y485 HydrophobicContact CD1-CD2 3.73Å; L481-Y485 HydrophobicContact CD1-CE2 3.7Å; L481-Y485 HydrophobicContact CD1-CG 4.42Å; L481-Y485 HydrophobicContact CG-CD2 4.48Å; L481-Y485 WeakPolarHBondContact O-CB 3.4Å; L481-Y485 VanDerWaalsContact O-CD2 3.24Å; L481-Y485 WeakPolarHBondContact O-CD2 3.45Å; L481-Y485 PolarHBondContact O-N 3.22Å; L481-Y485 VanDerWaalsContact O-N 3.09Å; L481-F554 HydrophobicContact CB-CE1 4.24Å; L481-F554 HydrophobicContact CD1-CD1 4.15Å; L481-F554 HydrophobicContact CD1-CE1 3.69Å; L481-Y562 HydrophobicContact CB-CE1 4.2Å; L481-Y562 HydrophobicContact CD1-CD1 4.45Å; L481-A566 HydrophobicContact CD2-CB 4.4Å; L481-A566 VanDerWaalsContact CD2-O 3.3Å; L481-A566 WeakPolarHBondContact CD2-O 3.42Å; L481-V569 HydrophobicContact CD2-CG1 4.5Å |
| 482 | V | 90.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.6 | -43.8 | -177.4 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | I137 Y141 F470 L478 L479 Q484 Y485 C486 I573 | I137-V482 HydrophobicContact CG2-CG1 3.55Å; Y141-V482 HydrophobicContact CD1-CG1 4.11Å; Y141-V482 HydrophobicContact CE1-CG1 4.08Å; F470-V482 HydrophobicContact CE1-CB 4.29Å; F470-V482 HydrophobicContact CE1-CG2 4.11Å; F470-V482 HydrophobicContact CZ-CB 4.49Å; F470-V482 HydrophobicContact CZ-CG2 4.14Å; L478-V482 HydrophobicContact CD1-CG2 4.08Å; L478-V482 HydrophobicContact CG-CG2 4.4Å; L478-V482 WeakPolarHBondContact O-CB 3.14Å; L478-V482 VanDerWaalsContact O-CG2 3.29Å; L478-V482 WeakPolarHBondContact O-CG2 3.26Å; L478-V482 PolarHBondContact O-N 2.88Å; L479-V482 PolarHBondContact O-N 2.91Å; V482-Q484 VanDerWaalsContact C-N 3.34Å; V482-Q484 PolarHBondContact O-N 3.17Å; V482-Y485 PolarHBondContact O-N 2.88Å; V482-C486 HydrophobicContact CG1-CB 4.27Å; V482-C486 WeakPolarHBondContact O-CB 3.46Å; V482-C486 PolarHBondContact O-N 3.45Å; V482-C486 PolarHBondContact O-SG 3.39Å; V482-I573 HydrophobicContact CG2-CD1 3.8Å |
| 483 | D | 85.9 | Confident | 89.6 | Confident | 44 Ų | 44 | 18.4 Ų | 18.4 | 24% | 0.235 | 9% | 0.089 | C | C | . | . | I | π-helix | trans | -58.5 | -46 | 179.1 | -170.6 | 57.3 | 0 | 0 | 0 | 111.2 | Y141 L479 | Y141-D483 HydrophobicContact CE2-CB 4.4Å; Y141-D483 VanDerWaalsContact CZ-OD1 3.3Å; Y141-D483 PolarHBondContact OH-OD1 2.86Å; L479-D483 WeakPolarHBondContact O-CB 3.09Å; L479-D483 PolarHBondContact O-N 3.08Å |
| 484 | Q | 83.4 | Confident | 89.6 | Confident | 90 Ų | 90 | 15.5 Ų | 15.5 | 42% | 0.421 | 8% | 0.076 | S | C | . | . | I | π-helix | trans | -70.9 | -43.2 | -178.6 | -172.4 | 70.1 | -1.1 | 0 | 0 | 113.3 | H480 V482 F554 | H480-Q484 WeakPolarHBondContact O-CB 3.31Å; H480-Q484 PolarHBondContact O-N 3.46Å; V482-Q484 VanDerWaalsContact C-N 3.34Å; V482-Q484 PolarHBondContact O-N 3.17Å; Q484-F554 HydrophobicContact CB-CE2 3.79Å; Q484-F554 HydrophobicContact CB-CZ 3.92Å; Q484-F554 HydrophobicContact CG-CD2 4.31Å; Q484-F554 HydrophobicContact CG-CE2 3.63Å; Q484-F554 HydrophobicContact CG-CZ 4.26Å |
| 485 | Y | 81.2 | Confident | 89.8 | Confident | 3 Ų | 3 | 15.5 Ų | 15.5 | 1% | 0.012 | 8% | 0.076 | C | C | . | . | I | π-helix | trans | -88.1 | -34.3 | -170.6 | -79.8 | -109.3 | 0 | 0 | 0 | 113.7 | L481 V482 Y550 F554 I567 W571 | L481-Y485 HydrophobicContact CD1-CD2 3.73Å; L481-Y485 HydrophobicContact CD1-CE2 3.7Å; L481-Y485 HydrophobicContact CD1-CG 4.42Å; L481-Y485 HydrophobicContact CG-CD2 4.48Å; L481-Y485 WeakPolarHBondContact O-CB 3.4Å; L481-Y485 VanDerWaalsContact O-CD2 3.24Å; L481-Y485 WeakPolarHBondContact O-CD2 3.45Å; L481-Y485 PolarHBondContact O-N 3.22Å; L481-Y485 VanDerWaalsContact O-N 3.09Å; V482-Y485 PolarHBondContact O-N 2.88Å; Y485-Y550 VanDerWaalsContact CD1-OH 3.3Å; Y485-Y550 WeakPolarHBondContact CD1-OH 3.26Å; Y485-Y550 AromaticContact CE1-CZ 3.99Å; Y485-Y550 WeakPolarHBondContact CE1-OH 2.96Å; Y485-Y550 WeakPolarHBondContact CE2-OH 3.45Å; Y485-Y550 PolarHBondContact OH-OH 3.12Å; Y485-Y550 VanDerWaalsContact OH-OH 3.06Å; Y485-F554 HydrophobicContact CD2-CE1 4.49Å; Y485-F554 HydrophobicContact CD2-CZ 4.48Å; Y485-F554 AromaticContact CE2-CD1 3.81Å; Y485-F554 HydrophobicContact CE2-CD1 3.81Å; Y485-F554 HydrophobicContact CE2-CD2 4.21Å; Y485-F554 AromaticContact CE2-CE1 3.86Å; Y485-F554 HydrophobicContact CE2-CE1 3.86Å; Y485-F554 HydrophobicContact CE2-CE2 4.26Å; Y485-F554 AromaticContact CE2-CG 3.99Å; Y485-F554 HydrophobicContact CE2-CG 3.99Å; Y485-F554 HydrophobicContact CE2-CZ 4.07Å; Y485-I567 HydrophobicContact CE1-CB 4.5Å; Y485-I567 HydrophobicContact CE1-CG2 3.77Å; Y485-W571 AromaticContact CD1-CD1 3.95Å; Y485-W571 HydrophobicContact CD1-CD2 4.28Å; Y485-W571 HydrophobicContact CD1-CG 4.24Å; Y485-W571 AromaticContact CD1-NE1 3.83Å; Y485-W571 AromaticContact CE1-CD1 3.78Å; Y485-W571 HydrophobicContact CE1-CG 4.49Å; Y485-W571 AromaticContact CE1-NE1 3.52Å |
| 486 | C | 81.3 | Confident | 89.9 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -90.8 | -41.4 | -167.9 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | I134 V482 T490 I573 A574 | I134-C486 HydrophobicContact CD1-CB 3.76Å; I134-C486 VanDerWaalsContact CD1-O 3.24Å; I134-C486 WeakPolarHBondContact CD1-O 3.43Å; V482-C486 HydrophobicContact CG1-CB 4.27Å; V482-C486 WeakPolarHBondContact O-CB 3.46Å; V482-C486 PolarHBondContact O-N 3.45Å; V482-C486 PolarHBondContact O-SG 3.39Å; C486-T490 WeakPolarHBondContact O-CB 3.48Å; C486-T490 PolarHBondContact O-OG1 3.41Å; C486-I573 VanDerWaalsContact SG-CG2 3.53Å; C486-A574 HydrophobicContact CB-CB 4.49Å |
| 487 | A | 81.1 | Confident | 90.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | I | π-helix | trans | -76.7 | -61.5 | -163.7 | 0 | 0 | 0 | 0 | 0 | 113 | V138 F324 W330 V491 | V138-A487 HydrophobicContact CG2-CB 4.35Å; F324-A487 HydrophobicContact CE1-CB 4.19Å; F324-A487 HydrophobicContact CZ-CB 3.67Å; W330-A487 HydrophobicContact CH2-CB 3.66Å; W330-A487 HydrophobicContact CZ2-CB 4.12Å; A487-V491 WeakPolarHBondContact O-CB 3.22Å; A487-V491 WeakPolarHBondContact O-CG2 3.29Å; A487-V491 PolarHBondContact O-N 3.5Å |
| 488 | F | 84.1 | Confident | 90.4 | Very high | 18 Ų | 18 | 16.8 Ų | 16.8 | 8% | 0.079 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.4 | -53.2 | -162.4 | -177.6 | -126.6 | 0 | 0 | 0 | 114.7 | F320 F324 T490 V491 I492 I542 S546 | F320-F488 HydrophobicContact CB-CE2 3.86Å; F320-F488 HydrophobicContact CB-CZ 3.91Å; F320-F488 HydrophobicContact CD2-CB 3.98Å; F320-F488 AromaticContact CD2-CD1 3.45Å; F320-F488 HydrophobicContact CD2-CD1 3.45Å; F320-F488 VanDerWaalsContact CD2-CD1 3.45Å; F320-F488 AromaticContact CD2-CD2 3.2Å; F320-F488 HydrophobicContact CD2-CD2 3.2Å; F320-F488 AromaticContact CD2-CE1 3.55Å; F320-F488 HydrophobicContact CD2-CE1 3.55Å; F320-F488 AromaticContact CD2-CE2 3.34Å; F320-F488 HydrophobicContact CD2-CE2 3.34Å; F320-F488 AromaticContact CD2-CG 3.25Å; F320-F488 HydrophobicContact CD2-CG 3.25Å; F320-F488 AromaticContact CD2-CZ 3.5Å; F320-F488 HydrophobicContact CD2-CZ 3.5Å; F320-F488 HydrophobicContact CE2-CB 3.34Å; F320-F488 AromaticContact CE2-CD1 3.64Å; F320-F488 HydrophobicContact CE2-CD1 3.64Å; F320-F488 AromaticContact CE2-CD2 3.46Å; F320-F488 HydrophobicContact CE2-CD2 3.46Å; F320-F488 VanDerWaalsContact CE2-CD2 3.46Å; F320-F488 HydrophobicContact CE2-CE1 4.22Å; F320-F488 HydrophobicContact CE2-CE2 4.1Å; F320-F488 AromaticContact CE2-CG 3.18Å; F320-F488 HydrophobicContact CE2-CG 3.18Å; F320-F488 HydrophobicContact CE2-CZ 4.44Å; F320-F488 AromaticContact CG-CD2 3.95Å; F320-F488 HydrophobicContact CG-CD2 3.95Å; F320-F488 AromaticContact CG-CE2 3.8Å; F320-F488 HydrophobicContact CG-CE2 3.8Å; F320-F488 HydrophobicContact CG-CG 4.38Å; F320-F488 HydrophobicContact CG-CZ 4.1Å; F320-F488 HydrophobicContact CZ-CB 4.1Å; F320-F488 HydrophobicContact CZ-CD2 4.32Å; F320-F488 HydrophobicContact CZ-CG 4.24Å; F324-F488 HydrophobicContact CD2-CD2 4.32Å; F324-F488 HydrophobicContact CE2-CB 3.95Å; F324-F488 AromaticContact CE2-CD2 3.78Å; F324-F488 HydrophobicContact CE2-CD2 3.78Å; F324-F488 HydrophobicContact CE2-CG 4.27Å; F324-F488 HydrophobicContact CZ-CB 4.39Å; F488-T490 VanDerWaalsContact C-N 3.27Å; F488-T490 PolarHBondContact O-N 2.8Å; F488-V491 PolarHBondContact O-N 2.84Å; F488-I492 HydrophobicContact CD2-CG1 4.08Å; F488-I492 HydrophobicContact CE2-CD1 3.91Å; F488-I492 HydrophobicContact CE2-CG1 3.77Å; F488-I492 HydrophobicContact CZ-CD1 4.32Å; F488-I492 HydrophobicContact CZ-CG1 4.06Å; F488-I492 WeakPolarHBondContact O-CG1 3.42Å; F488-I492 PolarHBondContact O-N 3.5Å; F488-I542 HydrophobicContact CZ-CG2 4Å; F488-S546 WeakPolarHBondContact CE1-OG 3.41Å |
| 489 | I | 86.6 | Confident | 90.6 | Very high | 19 Ų | 19 | 15.7 Ų | 15.7 | 10% | 0.097 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | -178.7 | -64.5 | 176.4 | 0 | 0 | 0 | 110 | V491 I492 V493 F543 Y550 W571 | I489-V491 PolarHBondContact O-N 3.47Å; I489-I492 PolarHBondContact O-N 2.82Å; I489-V493 HydrophobicContact CG2-CG2 4.47Å; I489-V493 WeakPolarHBondContact O-CG2 3.38Å; I489-V493 PolarHBondContact O-N 3.04Å; I489-F543 HydrophobicContact CG2-CE2 4.06Å; I489-Y550 HydrophobicContact CD1-CD2 4.35Å; I489-Y550 HydrophobicContact CD1-CE2 4.33Å; I489-W571 HydrophobicContact CD1-CH2 4.01Å |
| 490 | T | 90.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.2 | -48.3 | 177.5 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | I134 C486 F488 I492 V493 I494 S577 L578 | I134-T490 HydrophobicContact CB-CG2 4.12Å; I134-T490 HydrophobicContact CG1-CG2 4.12Å; I134-T490 HydrophobicContact CG2-CG2 4.31Å; C486-T490 WeakPolarHBondContact O-CB 3.48Å; C486-T490 PolarHBondContact O-OG1 3.41Å; F488-T490 VanDerWaalsContact C-N 3.27Å; F488-T490 PolarHBondContact O-N 2.8Å; T490-I492 PolarHBondContact O-N 3.01Å; T490-V493 PolarHBondContact O-N 3.12Å; T490-I494 HydrophobicContact CG2-CD1 4.09Å; T490-I494 VanDerWaalsContact O-CG1 3.31Å; T490-I494 WeakPolarHBondContact O-CG1 3.46Å; T490-I494 PolarHBondContact O-N 3.21Å; T490-S577 VanDerWaalsContact CG2-OG 3.27Å; T490-S577 WeakPolarHBondContact CG2-OG 3.47Å; T490-L578 HydrophobicContact CG2-CD2 4.24Å; T490-L578 HydrophobicContact CG2-CG 4.25Å; T490-L578 WeakPolarHBondContact OG1-CG 3.43Å |
| 491 | V | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | -179.8 | 168.8 | 0 | 0 | 0 | 0 | 111.7 | F323 P328 W330 A487 F488 I489 V493 I494 C495 | F323-V491 HydrophobicContact CD1-CG1 4.48Å; P328-V491 VanDerWaalsContact O-CG1 3.23Å; P328-V491 WeakPolarHBondContact O-CG1 3.15Å; W330-V491 HydrophobicContact CD2-CG2 3.88Å; W330-V491 HydrophobicContact CE3-CG2 4.25Å; W330-V491 HydrophobicContact CH2-CG2 3.73Å; W330-V491 HydrophobicContact CZ2-CG2 3.36Å; W330-V491 HydrophobicContact CZ3-CG2 4.18Å; A487-V491 WeakPolarHBondContact O-CB 3.22Å; A487-V491 WeakPolarHBondContact O-CG2 3.29Å; A487-V491 PolarHBondContact O-N 3.5Å; F488-V491 PolarHBondContact O-N 2.84Å; I489-V491 PolarHBondContact O-N 3.47Å; V491-V493 VanDerWaalsContact C-N 3.34Å; V491-V493 PolarHBondContact O-N 3.05Å; V491-I494 WeakPolarHBondContact O-CB 3.4Å; V491-I494 PolarHBondContact O-N 3.37Å; V491-C495 PolarHBondContact O-N 2.87Å; V491-C495 PolarHBondContact O-SG 3.49Å |
| 492 | I | 93.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 176.3 | -65.5 | -63 | 0 | 0 | 0 | 110.9 | F323 F488 I489 T490 I494 C495 I496 V539 I542 F543 | F323-I492 HydrophobicContact CD1-CD1 3.59Å; F323-I492 HydrophobicContact CE1-CD1 3.64Å; F323-I492 HydrophobicContact CG-CD1 4.09Å; F323-I492 HydrophobicContact CZ-CD1 4.17Å; F488-I492 HydrophobicContact CD2-CG1 4.08Å; F488-I492 HydrophobicContact CE2-CD1 3.91Å; F488-I492 HydrophobicContact CE2-CG1 3.77Å; F488-I492 HydrophobicContact CZ-CD1 4.32Å; F488-I492 HydrophobicContact CZ-CG1 4.06Å; F488-I492 WeakPolarHBondContact O-CG1 3.42Å; F488-I492 PolarHBondContact O-N 3.5Å; I489-I492 PolarHBondContact O-N 2.82Å; T490-I492 PolarHBondContact O-N 3.01Å; I492-I494 PolarHBondContact O-N 2.91Å; I492-C495 PolarHBondContact O-N 3.38Å; I492-I496 HydrophobicContact CG2-CD1 4.12Å; I492-I496 WeakPolarHBondContact O-CG1 3.48Å; I492-I496 PolarHBondContact O-N 3.36Å; I492-V539 HydrophobicContact CD1-CG1 4.5Å; I492-V539 HydrophobicContact CG2-CG1 3.89Å; I492-I542 HydrophobicContact CD1-CG2 3.97Å; I492-I542 HydrophobicContact CG1-CG2 4.38Å; I492-F543 HydrophobicContact CG2-CB 3.65Å; I492-F543 HydrophobicContact CG2-CD2 4.17Å; I492-F543 HydrophobicContact CG2-CG 4.4Å |
| 493 | V | 94.8 | Very high | 91.9 | Very high | 31 Ų | 31 | 15 Ų | 15 | 19% | 0.188 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 175.3 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | I489 T490 V491 C495 I496 L497 F543 L578 M581 | I489-V493 HydrophobicContact CG2-CG2 4.47Å; I489-V493 WeakPolarHBondContact O-CG2 3.38Å; I489-V493 PolarHBondContact O-N 3.04Å; T490-V493 PolarHBondContact O-N 3.12Å; V491-V493 VanDerWaalsContact C-N 3.34Å; V491-V493 PolarHBondContact O-N 3.05Å; V493-C495 PolarHBondContact O-N 2.96Å; V493-I496 PolarHBondContact O-N 2.9Å; V493-L497 HydrophobicContact CG1-CD1 4.18Å; V493-L497 HydrophobicContact CG1-CG 4.47Å; V493-L497 WeakPolarHBondContact O-CG 3.42Å; V493-L497 PolarHBondContact O-N 3.24Å; V493-F543 HydrophobicContact CG2-CD2 3.95Å; V493-F543 HydrophobicContact CG2-CE2 3.58Å; V493-F543 HydrophobicContact CG2-CZ 4.45Å; V493-L578 HydrophobicContact CB-CD2 4.17Å; V493-L578 HydrophobicContact CG1-CD2 4.32Å; V493-L578 HydrophobicContact CG2-CD2 4.22Å; V493-M581 HydrophobicContact CG1-CE 4.29Å; V493-M581 HydrophobicContact CG1-SD 3.72Å |
| 494 | I | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -55.5 | -52.5 | 172.9 | -68.4 | 166.6 | 0 | 0 | 0 | 109.8 | V127 I134 G329 T490 V491 I492 I496 L497 E498 M581 | V127-I494 HydrophobicContact CG1-CB 4.44Å; V127-I494 HydrophobicContact CG1-CG1 4.44Å; V127-I494 HydrophobicContact CG1-CG2 3.92Å; I134-I494 HydrophobicContact CG2-CD1 3.94Å; G329-I494 WeakPolarHBondContact O-CD1 3.23Å; T490-I494 HydrophobicContact CG2-CD1 4.09Å; T490-I494 VanDerWaalsContact O-CG1 3.31Å; T490-I494 WeakPolarHBondContact O-CG1 3.46Å; T490-I494 PolarHBondContact O-N 3.21Å; V491-I494 WeakPolarHBondContact O-CB 3.4Å; V491-I494 PolarHBondContact O-N 3.37Å; I492-I494 PolarHBondContact O-N 2.91Å; I494-I496 VanDerWaalsContact C-N 3.34Å; I494-I496 PolarHBondContact O-N 3.22Å; I494-L497 PolarHBondContact O-N 2.88Å; I494-L497 VanDerWaalsContact O-N 3.13Å; I494-E498 HydrophobicContact CG2-CG 4.23Å; I494-E498 WeakPolarHBondContact O-CB 3.33Å; I494-E498 WeakPolarHBondContact O-CG 3.45Å; I494-E498 PolarHBondContact O-N 2.84Å; I494-M581 HydrophobicContact CB-CE 4.17Å; I494-M581 HydrophobicContact CD1-CE 4.16Å; I494-M581 HydrophobicContact CG1-CE 3.15Å |
| 495 | C | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.2 | -39.4 | -179.3 | -68.8 | 0 | 0 | 0 | 0 | 112.7 | L99 F323 V491 I492 V493 E498 L499 V539 | L99-C495 HydrophobicContact CD1-CB 4.49Å; F323-C495 HydrophobicContact CE1-CB 4.22Å; V491-C495 PolarHBondContact O-N 2.87Å; V491-C495 PolarHBondContact O-SG 3.49Å; I492-C495 PolarHBondContact O-N 3.38Å; V493-C495 PolarHBondContact O-N 2.96Å; C495-E498 PolarHBondContact O-N 2.89Å; C495-L499 WeakPolarHBondContact O-CB 3.2Å; C495-L499 VanDerWaalsContact O-CG 3.29Å; C495-L499 WeakPolarHBondContact O-CG 3.45Å; C495-L499 PolarHBondContact O-N 3.26Å; C495-V539 HydrophobicContact CB-CG1 4.09Å |
| 496 | I | 97.9 | Very high | 93.7 | Very high | 26 Ų | 26 | 17.3 Ų | 17.3 | 13% | 0.133 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.3 | -47 | 175.1 | -68.5 | 169 | 0 | 0 | 0 | 110.4 | I492 V493 I494 L499 L500 F536 V539 I540 F543 | I492-I496 HydrophobicContact CG2-CD1 4.12Å; I492-I496 WeakPolarHBondContact O-CG1 3.48Å; I492-I496 PolarHBondContact O-N 3.36Å; V493-I496 PolarHBondContact O-N 2.9Å; I494-I496 VanDerWaalsContact C-N 3.34Å; I494-I496 PolarHBondContact O-N 3.22Å; I496-L499 PolarHBondContact O-N 3.03Å; I496-L500 WeakPolarHBondContact O-CB 3.35Å; I496-L500 PolarHBondContact O-N 2.85Å; I496-F536 HydrophobicContact CG2-CE2 4.01Å; I496-V539 HydrophobicContact CD1-CG1 4.33Å; I496-V539 HydrophobicContact CG1-CB 4.34Å; I496-V539 HydrophobicContact CG1-CG1 3.6Å; I496-I540 HydrophobicContact CD1-CG1 4.09Å; I496-I540 HydrophobicContact CG1-CG1 4.16Å; I496-I540 HydrophobicContact CG2-CG1 4.31Å; I496-F543 HydrophobicContact CD1-CB 3.85Å; I496-F543 HydrophobicContact CD1-CG 4.15Å |
| 497 | L | 98 | Very high | 94.4 | Very high | 25 Ų | 25 | 18 Ų | 18 | 13% | 0.131 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -71 | -33.5 | -178.5 | -64.4 | 179.9 | 0 | 0 | 0 | 112.4 | F124 V127 V493 I494 L500 S501 M581 M585 | F124-L497 HydrophobicContact CE1-CD2 3.82Å; F124-L497 HydrophobicContact CZ-CD2 4.27Å; V127-L497 HydrophobicContact CG1-CB 4.39Å; V127-L497 HydrophobicContact CG2-CB 3.87Å; V127-L497 HydrophobicContact CG2-CD1 3.59Å; V127-L497 HydrophobicContact CG2-CG 4.39Å; V493-L497 HydrophobicContact CG1-CD1 4.18Å; V493-L497 HydrophobicContact CG1-CG 4.47Å; V493-L497 WeakPolarHBondContact O-CG 3.42Å; V493-L497 PolarHBondContact O-N 3.24Å; I494-L497 PolarHBondContact O-N 2.88Å; I494-L497 VanDerWaalsContact O-N 3.13Å; L497-L500 HydrophobicContact CD2-CD2 4.36Å; L497-S501 VanDerWaalsContact O-CB 3.24Å; L497-S501 WeakPolarHBondContact O-CB 3.23Å; L497-S501 PolarHBondContact O-N 3.36Å; L497-M581 HydrophobicContact CD1-CB 4.3Å; L497-M581 HydrophobicContact CD1-CE 4.45Å; L497-M581 HydrophobicContact CD1-CG 4.34Å; L497-M581 HydrophobicContact CD1-SD 3.54Å; L497-M581 VanDerWaalsContact CD1-SD 3.54Å; L497-M585 HydrophobicContact CD1-CE 3.82Å; L497-M585 HydrophobicContact CD2-CE 4.48Å |
| 498 | E | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.5 | -49.9 | 170.7 | -77.9 | -176.5 | 168.1 | 0 | 0 | 111.2 | W118 V127 I494 C495 L500 S501 F502 | W118-E498 HydrophobicContact CH2-CG 3.64Å; W118-E498 HydrophobicContact CZ2-CG 3.96Å; V127-E498 HydrophobicContact CG1-CG 4.49Å; I494-E498 HydrophobicContact CG2-CG 4.23Å; I494-E498 WeakPolarHBondContact O-CB 3.33Å; I494-E498 WeakPolarHBondContact O-CG 3.45Å; I494-E498 PolarHBondContact O-N 2.84Å; C495-E498 PolarHBondContact O-N 2.89Å; E498-L500 PolarHBondContact O-N 3.34Å; E498-S501 WeakPolarHBondContact O-CB 3.26Å; E498-S501 PolarHBondContact O-N 3.34Å; E498-F502 HydrophobicContact CB-CD2 3.92Å; E498-F502 HydrophobicContact CB-CE2 3.81Å; E498-F502 HydrophobicContact CG-CE2 3.92Å; E498-F502 WeakPolarHBondContact O-CB 3.41Å; E498-F502 WeakPolarHBondContact O-CD2 3.25Å; E498-F502 WeakPolarHBondContact O-CG 3.16Å; E498-F502 PolarHBondContact O-N 2.89Å |
| 499 | L | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.8 | -41 | 176.7 | -71.1 | 167.8 | 0 | 0 | 0 | 112.1 | L99 L102 C495 I496 S501 A503 W504 W531 T535 F536 V539 | L99-L499 HydrophobicContact CD2-CD1 4.1Å; L99-L499 HydrophobicContact CD2-CD2 3.88Å; L99-L499 HydrophobicContact CD2-CG 3.97Å; L102-L499 HydrophobicContact CD2-CD2 3.91Å; C495-L499 WeakPolarHBondContact O-CB 3.2Å; C495-L499 VanDerWaalsContact O-CG 3.29Å; C495-L499 WeakPolarHBondContact O-CG 3.45Å; C495-L499 PolarHBondContact O-N 3.26Å; I496-L499 PolarHBondContact O-N 3.03Å; L499-S501 VanDerWaalsContact C-N 3.32Å; L499-S501 PolarHBondContact O-N 3.5Å; L499-A503 WeakPolarHBondContact O-CA 3.35Å; L499-A503 WeakPolarHBondContact O-CB 3.44Å; L499-A503 PolarHBondContact O-N 3.5Å; L499-W504 PolarHBondContact O-N 2.75Å; L499-W531 HydrophobicContact CD2-CB 4.3Å; L499-T535 HydrophobicContact CD1-CG2 3.8Å; L499-T535 HydrophobicContact CD2-CG2 4.25Å; L499-F536 HydrophobicContact CB-CD2 3.59Å; L499-F536 HydrophobicContact CB-CE2 4.24Å; L499-F536 HydrophobicContact CB-CG 4.5Å; L499-F536 HydrophobicContact CD1-CB 4.34Å; L499-F536 HydrophobicContact CD1-CD2 4.15Å; L499-V539 HydrophobicContact CD1-CB 4.46Å; L499-V539 HydrophobicContact CD1-CG2 4.16Å |
| 500 | L | 97.8 | Very high | 95.9 | Very high | 55 Ų | 55 | 25.8 Ų | 25.8 | 29% | 0.288 | 12% | 0.122 | S | C | . | . | I | π-helix | trans | -60.3 | -43.7 | 174 | 179.6 | 61.7 | 0 | 0 | 0 | 111.2 | F124 I496 L497 E498 W504 L505 F536 | F124-L500 HydrophobicContact CE2-CD2 4.34Å; F124-L500 HydrophobicContact CE2-CG 4.36Å; F124-L500 HydrophobicContact CZ-CD2 3.77Å; F124-L500 HydrophobicContact CZ-CG 4.28Å; I496-L500 WeakPolarHBondContact O-CB 3.35Å; I496-L500 PolarHBondContact O-N 2.85Å; L497-L500 HydrophobicContact CD2-CD2 4.36Å; E498-L500 PolarHBondContact O-N 3.34Å; L500-W504 HydrophobicContact CD1-CB 4.09Å; L500-W504 HydrophobicContact CD1-CG 4.49Å; L500-W504 WeakPolarHBondContact O-CB 3.37Å; L500-W504 PolarHBondContact O-N 3.49Å; L500-L505 WeakPolarHBondContact O-CG 3.36Å; L500-L505 PolarHBondContact O-N 3.02Å; L500-F536 HydrophobicContact CB-CE2 4.21Å; L500-F536 HydrophobicContact CB-CZ 4.48Å; L500-F536 HydrophobicContact CD1-CZ 4.47Å |
| 501 | S | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -66.6 | -56.2 | 178 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | C121 L497 E498 L499 Y506 | C121-S501 VanDerWaalsContact CB-OG 3.29Å; C121-S501 WeakPolarHBondContact CB-OG 3.5Å; L497-S501 VanDerWaalsContact O-CB 3.24Å; L497-S501 WeakPolarHBondContact O-CB 3.23Å; L497-S501 PolarHBondContact O-N 3.36Å; E498-S501 WeakPolarHBondContact O-CB 3.26Å; E498-S501 PolarHBondContact O-N 3.34Å; L499-S501 VanDerWaalsContact C-N 3.32Å; L499-S501 PolarHBondContact O-N 3.5Å; S501-Y506 WeakPolarHBondContact O-CB 3.05Å; S501-Y506 PolarHBondContact O-N 3.06Å |
| 502 | F | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -76 | -47.4 | -171.1 | -64.9 | -50.6 | 0 | 0 | 0 | 112.8 | L102 V106 M117 I120 E498 G507 L511 | L102-F502 HydrophobicContact CD1-CB 4.18Å; L102-F502 HydrophobicContact CD1-CG 4.47Å; L102-F502 HydrophobicContact CD2-CB 4.32Å; L102-F502 HydrophobicContact CD2-CD2 3.98Å; L102-F502 HydrophobicContact CG-CD2 4.26Å; V106-F502 HydrophobicContact CG1-CE1 3.94Å; V106-F502 HydrophobicContact CG1-CZ 3.97Å; V106-F502 HydrophobicContact CG2-CD1 4.23Å; V106-F502 HydrophobicContact CG2-CE1 4.02Å; V106-F502 HydrophobicContact CG2-CZ 4.23Å; M117-F502 HydrophobicContact CE-CE2 4.28Å; M117-F502 HydrophobicContact CE-CZ 3.63Å; M117-F502 HydrophobicContact SD-CE1 4.32Å; M117-F502 HydrophobicContact SD-CZ 3.69Å; I120-F502 HydrophobicContact CD1-CD1 3.64Å; I120-F502 HydrophobicContact CD1-CE1 4Å; I120-F502 HydrophobicContact CG2-CD1 4.38Å; I120-F502 HydrophobicContact CG2-CE1 3.86Å; E498-F502 HydrophobicContact CB-CD2 3.92Å; E498-F502 HydrophobicContact CB-CE2 3.81Å; E498-F502 HydrophobicContact CG-CE2 3.92Å; E498-F502 WeakPolarHBondContact O-CB 3.41Å; E498-F502 WeakPolarHBondContact O-CD2 3.25Å; E498-F502 WeakPolarHBondContact O-CG 3.16Å; E498-F502 PolarHBondContact O-N 2.89Å; F502-G507 PolarHBondContact O-N 3.3Å; F502-L511 HydrophobicContact CB-CD2 3.89Å |
| 503 | A | 96.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -88.8 | -32.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113 | L499 A508 W531 R532 | L499-A503 WeakPolarHBondContact O-CA 3.35Å; L499-A503 WeakPolarHBondContact O-CB 3.44Å; L499-A503 PolarHBondContact O-N 3.5Å; A503-A508 HydrophobicContact CB-CB 4.11Å; A503-A508 PolarHBondContact O-N 3.46Å; A503-W531 HydrophobicContact CB-CB 3.94Å; A503-R532 HydrophobicContact CB-CB 4.27Å |
| 504 | W | 97.1 | Very high | 96.5 | Very high | 101 Ų | 101 | 25.9 Ų | 25.9 | 38% | 0.383 | 12% | 0.124 | S | C | . | . | I | π-helix | trans | -102.7 | -51.7 | -175.3 | -75.9 | 88 | 0 | 0 | 0 | 114.3 | L499 L500 R532 F533 F536 | L499-W504 PolarHBondContact O-N 2.75Å; L500-W504 HydrophobicContact CD1-CB 4.09Å; L500-W504 HydrophobicContact CD1-CG 4.49Å; L500-W504 WeakPolarHBondContact O-CB 3.37Å; L500-W504 PolarHBondContact O-N 3.49Å; W504-R532 HydrophobicContact CD2-CG 4.1Å; W504-R532 HydrophobicContact CG-CG 4.49Å; W504-R532 HydrophobicContact CH2-CG 4.49Å; W504-R532 HydrophobicContact CZ2-CG 3.85Å; W504-R532 WeakPolarHBondContact CZ2-O 3.46Å; W504-R532 PolarHBondContact NE1-O 3.16Å; W504-F533 HydrophobicContact CH2-CD1 4.38Å; W504-F533 AromaticContact CH2-CE1 3.71Å; W504-F533 HydrophobicContact CH2-CE1 3.71Å; W504-F533 HydrophobicContact CH2-CZ 4.49Å; W504-F533 AromaticContact CZ2-CD1 3.96Å; W504-F533 HydrophobicContact CZ2-CD1 3.96Å; W504-F533 AromaticContact CZ2-CE1 3.72Å; W504-F533 HydrophobicContact CZ2-CE1 3.72Å; W504-F536 AromaticContact NE1-CD1 3.46Å; W504-F536 AromaticContact NE1-CE1 3.74Å; W504-F536 AromaticContact NE1-CG 3.92Å |
| 505 | L | 96.1 | Very high | 96.4 | Very high | 70 Ų | 70 | 25.9 Ų | 25.9 | 37% | 0.366 | 12% | 0.124 | S | C | . | . | I | π-helix | trans | -77.1 | -48.4 | -176.6 | -65.2 | -178 | 0 | 0 | 0 | 112.4 | F124 L500 T605 | F124-L505 HydrophobicContact CD2-CD1 4.26Å; F124-L505 HydrophobicContact CE2-CD1 3.51Å; F124-L505 HydrophobicContact CZ-CD1 4.38Å; L500-L505 WeakPolarHBondContact O-CG 3.36Å; L500-L505 PolarHBondContact O-N 3.02Å; L505-T605 HydrophobicContact CD1-CG2 3.87Å; L505-T605 HydrophobicContact CD2-CG2 4.37Å |
| 506 | Y | 95.6 | Very high | 96.3 | Very high | 15 Ų | 15 | 28.2 Ų | 28.2 | 6% | 0.059 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -36.7 | 176.1 | -174.3 | -117.5 | 0 | 0 | 0 | 112.5 | I120 S501 R510 L511 D514 P607 W611 | I120-Y506 HydrophobicContact CD1-CD1 3.5Å; I120-Y506 HydrophobicContact CD1-CD2 3.85Å; I120-Y506 HydrophobicContact CD1-CE1 4.1Å; I120-Y506 HydrophobicContact CD1-CE2 4.41Å; I120-Y506 HydrophobicContact CD1-CG 3.35Å; I120-Y506 HydrophobicContact CG1-CD1 4.32Å; I120-Y506 HydrophobicContact CG1-CD2 3.74Å; I120-Y506 HydrophobicContact CG1-CE2 4.41Å; I120-Y506 HydrophobicContact CG1-CG 3.68Å; S501-Y506 WeakPolarHBondContact O-CB 3.05Å; S501-Y506 PolarHBondContact O-N 3.06Å; Y506-R510 HydrophobicContact CE1-CB 4.27Å; Y506-R510 HydrophobicContact CE1-CG 3.93Å; Y506-R510 PolarHBondContact OH-NE 3.4Å; Y506-L511 HydrophobicContact CD1-CB 4.01Å; Y506-L511 HydrophobicContact CD1-CD1 4.08Å; Y506-L511 HydrophobicContact CE1-CB 4.17Å; Y506-L511 HydrophobicContact CE1-CD1 4.01Å; Y506-D514 WeakPolarHBondContact CE1-OD2 3.42Å; Y506-D514 PolarHBondContact OH-OD2 3.34Å; Y506-P607 HydrophobicContact CD2-CG 3.44Å; Y506-P607 VanDerWaalsContact CD2-CG 3.44Å; Y506-P607 HydrophobicContact CE2-CB 4.47Å; Y506-P607 HydrophobicContact CE2-CG 3.54Å; Y506-W611 HydrophobicContact CE1-CZ2 4.45Å; Y506-W611 AromaticContact CE2-NE1 3.61Å; Y506-W611 AromaticContact CZ-NE1 3.32Å; Y506-W611 VanDerWaalsContact CZ-NE1 3.32Å; Y506-W611 PolarHBondContact OH-NE1 2.9Å |
| 507 | G | 95.6 | Very high | 96.1 | Very high | 15 Ų | 15 | 29 Ų | 29 | 16% | 0.155 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.7 | 118.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F502 E509 R510 L511 | F502-G507 PolarHBondContact O-N 3.3Å; G507-E509 VanDerWaalsContact C-N 3.28Å; G507-E509 PolarHBondContact O-N 3.4Å; G507-R510 PolarHBondContact O-N 3.03Å; G507-R510 VanDerWaalsContact O-N 3.17Å; G507-L511 PolarHBondContact O-N 3.44Å |
| 508 | A | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.2 | -35.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | A503 L511 L512 A528 R532 | A503-A508 HydrophobicContact CB-CB 4.11Å; A503-A508 PolarHBondContact O-N 3.46Å; A508-L511 PolarHBondContact O-N 3.23Å; A508-L512 VanDerWaalsContact O-CB 3.31Å; A508-L512 WeakPolarHBondContact O-CB 3.49Å; A508-L512 PolarHBondContact O-N 3.13Å; A508-A528 HydrophobicContact CB-CB 3.73Å; A508-A528 WeakPolarHBondContact CB-O 3.47Å; A508-R532 HydrophobicContact CB-CB 4.33Å |
| 509 | E | 95.1 | Very high | 95.8 | Very high | 102 Ų | 102 | 28.3 Ų | 28.3 | 48% | 0.477 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -70.6 | -37.9 | 178.5 | -59.3 | 81.5 | 177.4 | 0 | 0 | 111.8 | G507 L512 S513 A528 R532 | G507-E509 VanDerWaalsContact C-N 3.28Å; G507-E509 PolarHBondContact O-N 3.4Å; E509-L512 PolarHBondContact O-N 3.11Å; E509-S513 WeakPolarHBondContact O-CB 3.38Å; E509-S513 PolarHBondContact O-N 3.3Å; E509-A528 HydrophobicContact CG-CB 4.29Å; E509-R532 IonicContact OE1-NH1 3.2Å; E509-R532 IonicContact OE2-NH1 2.97Å |
| 510 | R | 93.2 | Very high | 95.5 | Very high | 98 Ų | 98 | 36 Ų | 36 | 37% | 0.37 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66 | -45.6 | 174.6 | -173.4 | 178.1 | -171.1 | 166.8 | 11.3 | 110.5 | Y506 G507 L512 S513 D514 | Y506-R510 HydrophobicContact CE1-CB 4.27Å; Y506-R510 HydrophobicContact CE1-CG 3.93Å; Y506-R510 PolarHBondContact OH-NE 3.4Å; G507-R510 PolarHBondContact O-N 3.03Å; G507-R510 VanDerWaalsContact O-N 3.17Å; R510-L512 VanDerWaalsContact C-N 3.32Å; R510-L512 PolarHBondContact O-N 3.36Å; R510-S513 WeakPolarHBondContact O-CB 3.25Å; R510-S513 PolarHBondContact O-N 3.44Å; R510-D514 PolarHBondContact O-N 2.75Å |
| 511 | L | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -41.2 | 176.1 | -169.1 | 64.8 | 0 | 0 | 0 | 112.1 | L102 V106 F502 Y506 G507 A508 S513 D514 F515 | L102-L511 HydrophobicContact CD1-CD2 3.36Å; V106-L511 HydrophobicContact CG2-CD1 4.42Å; F502-L511 HydrophobicContact CB-CD2 3.89Å; Y506-L511 HydrophobicContact CD1-CB 4.01Å; Y506-L511 HydrophobicContact CD1-CD1 4.08Å; Y506-L511 HydrophobicContact CE1-CB 4.17Å; Y506-L511 HydrophobicContact CE1-CD1 4.01Å; G507-L511 PolarHBondContact O-N 3.44Å; A508-L511 PolarHBondContact O-N 3.23Å; L511-S513 VanDerWaalsContact C-N 3.34Å; L511-S513 PolarHBondContact O-N 3.13Å; L511-D514 WeakPolarHBondContact O-CB 3.33Å; L511-D514 PolarHBondContact O-N 3.43Å; L511-F515 HydrophobicContact CD1-CE1 3.93Å; L511-F515 HydrophobicContact CD1-CZ 3.79Å; L511-F515 HydrophobicContact CD2-CE2 4.25Å; L511-F515 HydrophobicContact CD2-CZ 4.07Å; L511-F515 HydrophobicContact CG-CE1 4.19Å; L511-F515 HydrophobicContact CG-CE2 3.93Å; L511-F515 HydrophobicContact CG-CZ 3.67Å; L511-F515 WeakPolarHBondContact O-CG 3.24Å; L511-F515 PolarHBondContact O-N 2.92Å; L511-F515 VanDerWaalsContact O-N 3.07Å |
| 512 | L | 96.2 | Very high | 94.8 | Very high | 10 Ų | 10 | 47.3 Ų | 47.3 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 176.1 | -168.2 | 68.3 | 0 | 0 | 0 | 110.9 | A508 E509 R510 D514 F515 E516 L523 S524 W527 A528 W531 | A508-L512 VanDerWaalsContact O-CB 3.31Å; A508-L512 WeakPolarHBondContact O-CB 3.49Å; A508-L512 PolarHBondContact O-N 3.13Å; E509-L512 PolarHBondContact O-N 3.11Å; R510-L512 VanDerWaalsContact C-N 3.32Å; R510-L512 PolarHBondContact O-N 3.36Å; L512-D514 VanDerWaalsContact C-N 3.29Å; L512-D514 PolarHBondContact O-N 3.26Å; L512-F515 CarbonylContact O-C 3.59Å; L512-F515 WeakPolarHBondContact O-CA 3.44Å; L512-F515 WeakPolarHBondContact O-CB 3.41Å; L512-F515 PolarHBondContact O-N 3.47Å; L512-F515 VanDerWaalsContact O-N 3.08Å; L512-E516 WeakPolarHBondContact O-CG 3.32Å; L512-E516 PolarHBondContact O-N 2.78Å; L512-L523 HydrophobicContact CD1-CB 3.64Å; L512-L523 HydrophobicContact CD1-CD1 3.68Å; L512-L523 HydrophobicContact CD1-CG 4.32Å; L512-L523 HydrophobicContact CD2-CB 4.37Å; L512-L523 HydrophobicContact CG-CB 3.98Å; L512-L523 HydrophobicContact CG-CD1 4.36Å; L512-S524 WeakPolarHBondContact CD2-O 3.45Å; L512-W527 HydrophobicContact CD1-CB 3.84Å; L512-W527 HydrophobicContact CD1-CG 4.46Å; L512-A528 HydrophobicContact CD2-CB 4.19Å; L512-W531 HydrophobicContact CD1-CH2 4.33Å; L512-W531 HydrophobicContact CD1-CZ3 4.13Å |
| 513 | S | 94.9 | Very high | 94.7 | Very high | 25 Ų | 25 | 47.6 Ų | 47.6 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -38 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | E509 R510 L511 F515 E516 F517 F625 | E509-S513 WeakPolarHBondContact O-CB 3.38Å; E509-S513 PolarHBondContact O-N 3.3Å; R510-S513 WeakPolarHBondContact O-CB 3.25Å; R510-S513 PolarHBondContact O-N 3.44Å; L511-S513 VanDerWaalsContact C-N 3.34Å; L511-S513 PolarHBondContact O-N 3.13Å; S513-F515 VanDerWaalsContact C-N 3.33Å; S513-F515 PolarHBondContact O-N 2.89Å; S513-E516 WeakPolarHBondContact O-CB 3.47Å; S513-E516 PolarHBondContact O-N 3.46Å; S513-F517 PolarHBondContact O-N 3.42Å; S513-F625 WeakPolarHBondContact OG-CE1 3.35Å |
| 514 | D | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 173.8 | -65.9 | -24.6 | 0 | 0 | 0 | 112 | F109 Y506 R510 L511 L512 F517 M518 W622 Q626 | F109-D514 HydrophobicContact CD2-CB 4.33Å; F109-D514 HydrophobicContact CE1-CB 4.36Å; F109-D514 HydrophobicContact CE2-CB 3.78Å; F109-D514 HydrophobicContact CZ-CB 3.79Å; Y506-D514 WeakPolarHBondContact CE1-OD2 3.42Å; Y506-D514 PolarHBondContact OH-OD2 3.34Å; R510-D514 PolarHBondContact O-N 2.75Å; L511-D514 WeakPolarHBondContact O-CB 3.33Å; L511-D514 PolarHBondContact O-N 3.43Å; L512-D514 VanDerWaalsContact C-N 3.29Å; L512-D514 PolarHBondContact O-N 3.26Å; D514-F517 WeakPolarHBondContact O-CB 3.35Å; D514-F517 PolarHBondContact O-N 3.18Å; D514-M518 WeakPolarHBondContact O-CB 3.33Å; D514-M518 PolarHBondContact O-N 3.45Å; D514-W622 PolarHBondContact OD1-NE1 2.99Å; D514-Q626 PolarHBondContact OD1-NE2 2.86Å |
| 515 | F | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.8 | -30.9 | 175.1 | -60.9 | -15.4 | 0 | 0 | 0 | 112.4 | F101 L102 V106 F109 L511 L512 S513 M518 T519 L523 W531 | F101-F515 HydrophobicContact CZ-CD2 4.19Å; L102-F515 HydrophobicContact CD1-CE2 4.47Å; V106-F515 HydrophobicContact CG2-CE1 4.42Å; V106-F515 HydrophobicContact CG2-CZ 3.88Å; F109-F515 HydrophobicContact CB-CE1 4.3Å; L511-F515 HydrophobicContact CD1-CE1 3.93Å; L511-F515 HydrophobicContact CD1-CZ 3.79Å; L511-F515 HydrophobicContact CD2-CE2 4.25Å; L511-F515 HydrophobicContact CD2-CZ 4.07Å; L511-F515 HydrophobicContact CG-CE1 4.19Å; L511-F515 HydrophobicContact CG-CE2 3.93Å; L511-F515 HydrophobicContact CG-CZ 3.67Å; L511-F515 WeakPolarHBondContact O-CG 3.24Å; L511-F515 PolarHBondContact O-N 2.92Å; L511-F515 VanDerWaalsContact O-N 3.07Å; L512-F515 CarbonylContact O-C 3.59Å; L512-F515 WeakPolarHBondContact O-CA 3.44Å; L512-F515 WeakPolarHBondContact O-CB 3.41Å; L512-F515 PolarHBondContact O-N 3.47Å; L512-F515 VanDerWaalsContact O-N 3.08Å; S513-F515 VanDerWaalsContact C-N 3.33Å; S513-F515 PolarHBondContact O-N 2.89Å; F515-M518 HydrophobicContact CD1-CE 4.16Å; F515-M518 PolarHBondContact O-N 2.86Å; F515-T519 WeakPolarHBondContact O-CB 3.21Å; F515-T519 WeakPolarHBondContact O-CG2 3.32Å; F515-T519 PolarHBondContact O-N 2.89Å; F515-T519 PolarHBondContact O-OG1 3.4Å; F515-L523 HydrophobicContact CB-CD1 3.57Å; F515-W531 AromaticContact CD2-CH2 3.84Å; F515-W531 HydrophobicContact CD2-CH2 3.84Å; F515-W531 HydrophobicContact CD2-CZ3 4.42Å; F515-W531 AromaticContact CE2-CH2 3.62Å; F515-W531 HydrophobicContact CE2-CH2 3.62Å; F515-W531 HydrophobicContact CE2-CZ2 4.38Å; F515-W531 HydrophobicContact CE2-CZ3 4.19Å |
| 516 | E | 94.6 | Very high | 94.5 | Very high | 48 Ų | 48 | 51 Ų | 51 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 171 | -68.4 | -174.7 | 148.4 | 0 | 0 | 111.2 | L512 S513 K520 K521 K522 L523 | L512-E516 WeakPolarHBondContact O-CG 3.32Å; L512-E516 PolarHBondContact O-N 2.78Å; S513-E516 WeakPolarHBondContact O-CB 3.47Å; S513-E516 PolarHBondContact O-N 3.46Å; E516-K520 VanDerWaalsContact O-CA 3.22Å; E516-K520 WeakPolarHBondContact O-CA 3.36Å; E516-K520 PolarHBondContact O-N 2.95Å; E516-K521 VanDerWaalsContact CA-O 3.29Å; E516-K521 WeakPolarHBondContact CA-O 3.41Å; E516-K521 WeakPolarHBondContact CB-O 3.48Å; E516-K521 WeakPolarHBondContact CG-O 3.29Å; E516-K521 PolarHBondContact O-N 3.48Å; E516-K522 WeakPolarHBondContact OE1-CA 3.5Å; E516-K522 WeakPolarHBondContact OE1-CG 3.03Å; E516-L523 HydrophobicContact CG-CB 3.9Å; E516-L523 HydrophobicContact CG-CD1 4.04Å; E516-L523 HydrophobicContact CG-CG 3.79Å; E516-L523 PolarHBondContact OE1-N 3.31Å |
| 517 | F | 94.8 | Very high | 94.5 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 18% | 0.184 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 172.4 | 173.7 | -94.2 | 0 | 0 | 0 | 111.5 | F342 S513 D514 T618 K621 W622 F625 | F342-F517 AromaticContact CE1-CD1 3.95Å; F342-F517 HydrophobicContact CE1-CD1 3.95Å; F342-F517 AromaticContact CE1-CE1 3.68Å; F342-F517 HydrophobicContact CE1-CE1 3.68Å; F342-F517 AromaticContact CZ-CD1 3.98Å; F342-F517 HydrophobicContact CZ-CD1 3.98Å; F342-F517 AromaticContact CZ-CE1 3.85Å; F342-F517 HydrophobicContact CZ-CE1 3.85Å; S513-F517 PolarHBondContact O-N 3.42Å; D514-F517 WeakPolarHBondContact O-CB 3.35Å; D514-F517 PolarHBondContact O-N 3.18Å; F517-T618 HydrophobicContact CE1-CG2 4.09Å; F517-K621 HydrophobicContact CE2-CB 4.27Å; F517-K621 HydrophobicContact CZ-CB 3.89Å; F517-W622 HydrophobicContact CD1-CB 4.06Å; F517-W622 AromaticContact CD1-CD1 3.82Å; F517-W622 HydrophobicContact CD1-CG 4.31Å; F517-W622 HydrophobicContact CE1-CB 3.56Å; F517-W622 HydrophobicContact CE1-CG 4.27Å; F517-W622 HydrophobicContact CE2-CB 4.39Å; F517-W622 HydrophobicContact CZ-CB 3.74Å; F517-F625 HydrophobicContact CB-CD1 3.88Å; F517-F625 HydrophobicContact CB-CE1 3.8Å; F517-F625 HydrophobicContact CB-CG 4.46Å; F517-F625 HydrophobicContact CB-CZ 4.32Å; F517-F625 HydrophobicContact CD2-CB 3.77Å; F517-F625 AromaticContact CD2-CD1 3.86Å; F517-F625 HydrophobicContact CD2-CD1 3.86Å; F517-F625 HydrophobicContact CD2-CD2 4.17Å; F517-F625 AromaticContact CD2-CG 3.66Å; F517-F625 HydrophobicContact CD2-CG 3.66Å; F517-F625 HydrophobicContact CE2-CB 3.98Å; F517-F625 HydrophobicContact CE2-CG 4.37Å; F517-F625 HydrophobicContact CG-CD1 4.12Å; F517-F625 HydrophobicContact CG-CG 4.39Å |
| 518 | M | 94.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -49.8 | -179.3 | -175.1 | 179.2 | 67.9 | 0 | 0 | 112.3 | Q108 F109 F342 D343 C346 D514 F515 | Q108-M518 HydrophobicContact CB-CE 4.43Å; Q108-M518 HydrophobicContact CB-SD 4.01Å; Q108-M518 HydrophobicContact CG-CE 4.41Å; Q108-M518 HydrophobicContact CG-SD 3.77Å; Q108-M518 PolarHBondContact NE2-SD 3.29Å; F109-M518 VanDerWaalsContact CA-SD 3.56Å; F109-M518 HydrophobicContact CB-SD 3.75Å; F109-M518 HydrophobicContact CD2-CB 4.3Å; F109-M518 HydrophobicContact CD2-SD 4.28Å; F342-M518 HydrophobicContact CD1-CG 4.14Å; F342-M518 HydrophobicContact CD2-CG 4.32Å; F342-M518 HydrophobicContact CE1-CB 4.06Å; F342-M518 HydrophobicContact CE1-CG 3.95Å; F342-M518 HydrophobicContact CE2-CG 4.13Å; F342-M518 HydrophobicContact CE2-SD 4.5Å; F342-M518 HydrophobicContact CG-CG 4.33Å; F342-M518 HydrophobicContact CZ-CB 4.01Å; F342-M518 HydrophobicContact CZ-CG 3.95Å; F342-M518 WeakPolarHBondContact O-CG 3.41Å; D343-M518 WeakPolarHBondContact CA-O 3.44Å; C346-M518 HydrophobicContact CB-CE 4.47Å; C346-M518 WeakPolarHBondContact SG-CE 3.43Å; D514-M518 WeakPolarHBondContact O-CB 3.33Å; D514-M518 PolarHBondContact O-N 3.45Å; F515-M518 HydrophobicContact CD1-CE 4.16Å; F515-M518 PolarHBondContact O-N 2.86Å |
| 519 | T | 92.9 | Very high | 94.6 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -85.7 | -9.1 | -176.3 | 61.4 | 0 | 0 | 0 | 0 | 113.7 | C346 F515 K521 | C346-T519 VanDerWaalsContact SG-CG2 3.58Å; F515-T519 WeakPolarHBondContact O-CB 3.21Å; F515-T519 WeakPolarHBondContact O-CG2 3.32Å; F515-T519 PolarHBondContact O-N 2.89Å; F515-T519 PolarHBondContact O-OG1 3.4Å; T519-K521 PolarHBondContact O-N 2.94Å |
| 520 | K | 91.8 | Very high | 94.7 | Very high | 160 Ų | 160 | 50.4 Ų | 50.4 | 70% | 0.696 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 32.3 | -173.7 | -54.2 | 171.2 | -174 | 161 | 0 | 112.3 | D343 E516 | D343-K520 IonicContact OD2-NZ 3.94Å; E516-K520 VanDerWaalsContact O-CA 3.22Å; E516-K520 WeakPolarHBondContact O-CA 3.36Å; E516-K520 PolarHBondContact O-N 2.95Å |
| 521 | K | 90.5 | Very high | 94.9 | Very high | 104 Ų | 104 | 45.8 Ų | 45.8 | 45% | 0.452 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -136.4 | 142.3 | -177 | -71.1 | 178.1 | -175.9 | -177.5 | 0 | 109.6 | N345 E516 T519 L523 | N345-K521 PolarHBondContact ND2-NZ 3.26Å; N345-K521 VanDerWaalsContact ND2-NZ 3.18Å; E516-K521 VanDerWaalsContact CA-O 3.29Å; E516-K521 WeakPolarHBondContact CA-O 3.41Å; E516-K521 WeakPolarHBondContact CB-O 3.48Å; E516-K521 WeakPolarHBondContact CG-O 3.29Å; E516-K521 PolarHBondContact O-N 3.48Å; T519-K521 PolarHBondContact O-N 2.94Å; K521-L523 PolarHBondContact O-N 3.24Å |
| 522 | K | 90.9 | Very high | 95 | Very high | 190 Ų | 190 | 49.1 Ų | 49.1 | 83% | 0.826 | 25% | 0.249 | S | C | * | . | trans | -69.8 | 129.2 | 170.6 | -168.6 | 174.4 | -176.8 | 177 | 0 | 109.6 | E516 | E516-K522 WeakPolarHBondContact OE1-CA 3.5Å; E516-K522 WeakPolarHBondContact OE1-CG 3.03Å | ||
| 523 | L | 93.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | trans | -104.5 | 150.5 | -180 | -62.3 | 175.8 | 0 | 0 | 0 | 109.6 | F101 L347 L512 F515 E516 K521 | F101-L523 HydrophobicContact CZ-CD1 4.08Å; L347-L523 HydrophobicContact CB-CD2 4.44Å; L347-L523 HydrophobicContact CD1-CD2 4.44Å; L347-L523 HydrophobicContact CD2-CD2 3.65Å; L347-L523 HydrophobicContact CG-CD2 4.38Å; L512-L523 HydrophobicContact CD1-CB 3.64Å; L512-L523 HydrophobicContact CD1-CD1 3.68Å; L512-L523 HydrophobicContact CD1-CG 4.32Å; L512-L523 HydrophobicContact CD2-CB 4.37Å; L512-L523 HydrophobicContact CG-CB 3.98Å; L512-L523 HydrophobicContact CG-CD1 4.36Å; F515-L523 HydrophobicContact CB-CD1 3.57Å; E516-L523 HydrophobicContact CG-CB 3.9Å; E516-L523 HydrophobicContact CG-CD1 4.04Å; E516-L523 HydrophobicContact CG-CG 3.79Å; E516-L523 PolarHBondContact OE1-N 3.31Å; K521-L523 PolarHBondContact O-N 3.24Å | ||
| 524 | S | 94.7 | Very high | 95.2 | Very high | 59 Ų | 59 | 54.3 Ų | 54.3 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | trans | -69.1 | 132.3 | 178.9 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | L512 V526 W527 | L512-S524 WeakPolarHBondContact CD2-O 3.45Å; S524-V526 PolarHBondContact O-N 2.85Å; S524-V526 WeakPolarHBondContact OG-CB 3.37Å; S524-V526 WeakPolarHBondContact OG-CG2 3.31Å; S524-V526 PolarHBondContact OG-N 3.08Å; S524-W527 PolarHBondContact O-N 3.47Å; S524-W527 VanDerWaalsContact O-N 3.12Å | ||
| 525 | P | 94.4 | Very high | 95.2 | Very high | 89 Ų | 89 | 54.3 Ų | 54.3 | 58% | 0.578 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -18.2 | 172.5 | -24.7 | 34.4 | 0 | 0 | 0 | 113.8 | W527 A528 V529 | P525-W527 PolarHBondContact O-N 3.01Å; P525-A528 PolarHBondContact O-N 3.23Å; P525-A528 VanDerWaalsContact O-N 3.08Å; P525-V529 PolarHBondContact O-N 3Å; P525-V529 VanDerWaalsContact O-N 3.16Å |
| 526 | V | 96.1 | Very high | 95.3 | Very high | 96 Ų | 96 | 55.7 Ų | 55.7 | 58% | 0.582 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -53.9 | -35 | 174.6 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | S524 V529 N530 | S524-V526 PolarHBondContact O-N 2.85Å; S524-V526 WeakPolarHBondContact OG-CB 3.37Å; S524-V526 WeakPolarHBondContact OG-CG2 3.31Å; S524-V526 PolarHBondContact OG-N 3.08Å; V526-V529 PolarHBondContact O-N 3.07Å; V526-N530 WeakPolarHBondContact O-CB 3.44Å; V526-N530 PolarHBondContact O-N 3.39Å |
| 527 | W | 96.2 | Very high | 95.5 | Very high | 20 Ų | 20 | 58.5 Ų | 58.5 | 8% | 0.076 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 176.6 | -70.8 | 117.5 | 0 | 0 | 0 | 112.5 | I97 P98 F101 L347 Y351 L512 S524 P525 V529 N530 W531 | I97-W527 HydrophobicContact CG2-CH2 3.79Å; I97-W527 HydrophobicContact CG2-CZ3 4.24Å; P98-W527 HydrophobicContact CB-CZ3 4.37Å; P98-W527 HydrophobicContact CG-CZ3 4.2Å; F101-W527 AromaticContact CD1-CD2 3.72Å; F101-W527 HydrophobicContact CD1-CD2 3.72Å; F101-W527 AromaticContact CD1-CE2 3.89Å; F101-W527 AromaticContact CD1-CE3 3.8Å; F101-W527 HydrophobicContact CD1-CE3 3.8Å; F101-W527 HydrophobicContact CD1-CG 4.21Å; F101-W527 HydrophobicContact CD1-CH2 4.22Å; F101-W527 HydrophobicContact CD1-CZ2 4.12Å; F101-W527 HydrophobicContact CD1-CZ3 4.08Å; F101-W527 AromaticContact CE1-CD2 3.91Å; F101-W527 HydrophobicContact CE1-CD2 3.91Å; F101-W527 AromaticContact CE1-CE2 3.98Å; F101-W527 HydrophobicContact CE1-CE3 4.44Å; F101-W527 AromaticContact CE1-CG 3.94Å; F101-W527 HydrophobicContact CE1-CG 3.94Å; L347-W527 HydrophobicContact CD1-CZ2 3.63Å; Y351-W527 HydrophobicContact CE1-CH2 4.17Å; Y351-W527 HydrophobicContact CE1-CZ2 4.19Å; Y351-W527 HydrophobicContact CE2-CZ2 4.13Å; Y351-W527 AromaticContact CZ-CZ2 3.57Å; Y351-W527 WeakPolarHBondContact OH-CZ2 3.21Å; L512-W527 HydrophobicContact CD1-CB 3.84Å; L512-W527 HydrophobicContact CD1-CG 4.46Å; S524-W527 PolarHBondContact O-N 3.47Å; S524-W527 VanDerWaalsContact O-N 3.12Å; P525-W527 PolarHBondContact O-N 3.01Å; W527-V529 PolarHBondContact O-N 3.45Å; W527-N530 PolarHBondContact O-N 3.22Å; W527-W531 HydrophobicContact CB-CE3 4.46Å; W527-W531 HydrophobicContact CB-CH2 4.15Å; W527-W531 HydrophobicContact CB-CZ2 4.42Å; W527-W531 HydrophobicContact CB-CZ3 4.17Å; W527-W531 VanDerWaalsContact O-CD2 3.29Å; W527-W531 PolarHBondContact O-N 3.49Å |
| 528 | A | 97.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A508 E509 L512 P525 R532 | A508-A528 HydrophobicContact CB-CB 3.73Å; A508-A528 WeakPolarHBondContact CB-O 3.47Å; E509-A528 HydrophobicContact CG-CB 4.29Å; L512-A528 HydrophobicContact CD2-CB 4.19Å; P525-A528 PolarHBondContact O-N 3.23Å; P525-A528 VanDerWaalsContact O-N 3.08Å; A528-R532 VanDerWaalsContact O-CB 3.23Å; A528-R532 WeakPolarHBondContact O-CB 3.48Å; A528-R532 PolarHBondContact O-N 2.88Å; A528-R532 VanDerWaalsContact O-N 3.1Å |
| 529 | V | 97.2 | Very high | 95.5 | Very high | 77 Ų | 77 | 58 Ų | 58 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.3 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | P525 V526 W527 R532 F533 | P525-V529 PolarHBondContact O-N 3Å; P525-V529 VanDerWaalsContact O-N 3.16Å; V526-V529 PolarHBondContact O-N 3.07Å; W527-V529 PolarHBondContact O-N 3.45Å; V529-R532 PolarHBondContact O-N 2.8Å; V529-F533 HydrophobicContact CG1-CD2 4.14Å; V529-F533 PolarHBondContact O-N 3.45Å |
| 530 | N | 97.1 | Very high | 95.6 | Very high | 20 Ų | 20 | 59.9 Ų | 59.9 | 11% | 0.107 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -63.5 | -51.8 | -178.3 | -168.6 | -9.6 | 0 | 0 | 0 | 111.3 | L94 P98 V526 W527 R532 F533 T534 T535 | L94-N530 PolarHBondContact O-OD1 2.63Å; P98-N530 VanDerWaalsContact CG-ND2 3.26Å; P98-N530 WeakPolarHBondContact CG-ND2 3.49Å; V526-N530 WeakPolarHBondContact O-CB 3.44Å; V526-N530 PolarHBondContact O-N 3.39Å; W527-N530 PolarHBondContact O-N 3.22Å; N530-R532 VanDerWaalsContact C-N 3.34Å; N530-R532 PolarHBondContact O-N 3.49Å; N530-F533 PolarHBondContact O-N 2.87Å; N530-T534 PolarHBondContact O-N 3.5Å; N530-T534 WeakPolarHBondContact OD1-CB 3.48Å; N530-T535 PolarHBondContact O-N 3.47Å; N530-T535 PolarHBondContact O-OG1 2.99Å; N530-T535 PolarHBondContact OD1-N 3.1Å; N530-T535 PolarHBondContact OD1-OG1 3.42Å |
| 531 | W | 98.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -60.4 | -43.1 | 177.6 | -64.2 | -40.1 | 0 | 0 | 0 | 112.7 | P98 F101 L102 L499 A503 L512 F515 W527 | P98-W531 PolarHBondContact O-NE1 3.39Å; F101-W531 HydrophobicContact CB-CZ2 4.4Å; F101-W531 AromaticContact CD1-CH2 3.76Å; F101-W531 HydrophobicContact CD1-CH2 3.76Å; F101-W531 AromaticContact CD1-CZ2 3.31Å; F101-W531 HydrophobicContact CD1-CZ2 3.31Å; F101-W531 AromaticContact CE1-CH2 3.63Å; F101-W531 HydrophobicContact CE1-CH2 3.63Å; F101-W531 AromaticContact CE1-CZ2 3.72Å; F101-W531 HydrophobicContact CE1-CZ2 3.72Å; F101-W531 HydrophobicContact CG-CZ2 4.08Å; L102-W531 HydrophobicContact CB-CZ2 4.05Å; L102-W531 HydrophobicContact CD1-CD2 4.18Å; L102-W531 HydrophobicContact CD1-CE3 4.36Å; L102-W531 HydrophobicContact CD1-CH2 4.41Å; L102-W531 HydrophobicContact CD1-CZ2 4.18Å; L102-W531 HydrophobicContact CD1-CZ3 4.49Å; L499-W531 HydrophobicContact CD2-CB 4.3Å; A503-W531 HydrophobicContact CB-CB 3.94Å; L512-W531 HydrophobicContact CD1-CH2 4.33Å; L512-W531 HydrophobicContact CD1-CZ3 4.13Å; F515-W531 AromaticContact CD2-CH2 3.84Å; F515-W531 HydrophobicContact CD2-CH2 3.84Å; F515-W531 HydrophobicContact CD2-CZ3 4.42Å; F515-W531 AromaticContact CE2-CH2 3.62Å; F515-W531 HydrophobicContact CE2-CH2 3.62Å; F515-W531 HydrophobicContact CE2-CZ2 4.38Å; F515-W531 HydrophobicContact CE2-CZ3 4.19Å; W527-W531 HydrophobicContact CB-CE3 4.46Å; W527-W531 HydrophobicContact CB-CH2 4.15Å; W527-W531 HydrophobicContact CB-CZ2 4.42Å; W527-W531 HydrophobicContact CB-CZ3 4.17Å; W527-W531 VanDerWaalsContact O-CD2 3.29Å; W527-W531 PolarHBondContact O-N 3.49Å |
| 532 | R | 97.4 | Very high | 95.7 | Very high | 70 Ų | 70 | 50 Ų | 50 | 26% | 0.264 | 27% | 0.269 | S | S | . | . | I | π-helix | trans | -70.2 | -39.7 | -175.7 | -172.9 | 173.7 | 179.1 | 171.9 | 1.2 | 112.6 | A503 W504 A508 E509 A528 V529 N530 F536 | A503-R532 HydrophobicContact CB-CB 4.27Å; W504-R532 HydrophobicContact CD2-CG 4.1Å; W504-R532 HydrophobicContact CG-CG 4.49Å; W504-R532 HydrophobicContact CH2-CG 4.49Å; W504-R532 HydrophobicContact CZ2-CG 3.85Å; W504-R532 WeakPolarHBondContact CZ2-O 3.46Å; W504-R532 PolarHBondContact NE1-O 3.16Å; A508-R532 HydrophobicContact CB-CB 4.33Å; E509-R532 IonicContact OE1-NH1 3.2Å; E509-R532 IonicContact OE2-NH1 2.97Å; A528-R532 VanDerWaalsContact O-CB 3.23Å; A528-R532 WeakPolarHBondContact O-CB 3.48Å; A528-R532 PolarHBondContact O-N 2.88Å; A528-R532 VanDerWaalsContact O-N 3.1Å; V529-R532 PolarHBondContact O-N 2.8Å; N530-R532 VanDerWaalsContact C-N 3.34Å; N530-R532 PolarHBondContact O-N 3.49Å; R532-F536 WeakPolarHBondContact O-CB 3.45Å |
| 533 | F | 97.3 | Very high | 95.7 | Very high | 88 Ų | 88 | 43.5 Ų | 43.5 | 39% | 0.386 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -116.8 | -66.5 | -172 | -58.3 | -68.5 | 0 | 0 | 0 | 112.3 | W504 V529 N530 F536 I537 | W504-F533 HydrophobicContact CH2-CD1 4.38Å; W504-F533 AromaticContact CH2-CE1 3.71Å; W504-F533 HydrophobicContact CH2-CE1 3.71Å; W504-F533 HydrophobicContact CH2-CZ 4.49Å; W504-F533 AromaticContact CZ2-CD1 3.96Å; W504-F533 HydrophobicContact CZ2-CD1 3.96Å; W504-F533 AromaticContact CZ2-CE1 3.72Å; W504-F533 HydrophobicContact CZ2-CE1 3.72Å; V529-F533 HydrophobicContact CG1-CD2 4.14Å; V529-F533 PolarHBondContact O-N 3.45Å; N530-F533 PolarHBondContact O-N 2.87Å; F533-F536 PolarHBondContact O-N 3.48Å; F533-I537 VanDerWaalsContact O-CB 3.31Å; F533-I537 WeakPolarHBondContact O-CB 3.23Å; F533-I537 WeakPolarHBondContact O-CD1 3.18Å; F533-I537 WeakPolarHBondContact O-CG1 3.43Å; F533-I537 PolarHBondContact O-N 2.87Å |
| 534 | T | 96.5 | Very high | 95.5 | Very high | 55 Ų | 55 | 48.2 Ų | 48.2 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -60.9 | -59.4 | -170 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | L94 N530 F536 I538 | L94-T534 HydrophobicContact CB-CG2 4.37Å; L94-T534 HydrophobicContact CD2-CG2 4.11Å; N530-T534 PolarHBondContact O-N 3.5Å; N530-T534 WeakPolarHBondContact OD1-CB 3.48Å; T534-F536 PolarHBondContact O-N 2.83Å; T534-I538 HydrophobicContact CG2-CD1 3.9Å; T534-I538 WeakPolarHBondContact O-CD1 3.25Å; T534-I538 VanDerWaalsContact O-CG1 3.23Å; T534-I538 WeakPolarHBondContact O-CG1 3.31Å; T534-I538 PolarHBondContact O-N 3.24Å; T534-I538 VanDerWaalsContact O-N 3.12Å |
| 535 | T | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -59.9 | -47.2 | 177.7 | -53.4 | 0 | 0 | 0 | 0 | 110.6 | L94 C95 P98 L99 L499 N530 I537 I538 V539 | L94-T535 PolarHBondContact O-OG1 2.95Å; C95-T535 HydrophobicContact CB-CG2 4.24Å; P98-T535 WeakPolarHBondContact CB-OG1 3.26Å; L99-T535 HydrophobicContact CD1-CG2 4.25Å; L99-T535 HydrophobicContact CD2-CG2 4.19Å; L99-T535 HydrophobicContact CG-CG2 3.89Å; L499-T535 HydrophobicContact CD1-CG2 3.8Å; L499-T535 HydrophobicContact CD2-CG2 4.25Å; N530-T535 PolarHBondContact O-N 3.47Å; N530-T535 PolarHBondContact O-OG1 2.99Å; N530-T535 PolarHBondContact OD1-N 3.1Å; N530-T535 PolarHBondContact OD1-OG1 3.42Å; T535-I537 PolarHBondContact O-N 3.08Å; T535-I538 PolarHBondContact O-N 2.98Å; T535-V539 HydrophobicContact CG2-CG2 4.08Å; T535-V539 VanDerWaalsContact O-CG2 3.29Å; T535-V539 WeakPolarHBondContact O-CG2 3.37Å; T535-V539 PolarHBondContact O-N 3.26Å |
| 536 | F | 97.9 | Very high | 94.5 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 13% | 0.132 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.6 | -46.2 | -177.6 | -172 | -120 | 0 | 0 | 0 | 113.7 | I496 L499 L500 W504 R532 F533 T534 I540 | I496-F536 HydrophobicContact CG2-CE2 4.01Å; L499-F536 HydrophobicContact CB-CD2 3.59Å; L499-F536 HydrophobicContact CB-CE2 4.24Å; L499-F536 HydrophobicContact CB-CG 4.5Å; L499-F536 HydrophobicContact CD1-CB 4.34Å; L499-F536 HydrophobicContact CD1-CD2 4.15Å; L500-F536 HydrophobicContact CB-CE2 4.21Å; L500-F536 HydrophobicContact CB-CZ 4.48Å; L500-F536 HydrophobicContact CD1-CZ 4.47Å; W504-F536 AromaticContact NE1-CD1 3.46Å; W504-F536 AromaticContact NE1-CE1 3.74Å; W504-F536 AromaticContact NE1-CG 3.92Å; R532-F536 WeakPolarHBondContact O-CB 3.45Å; F533-F536 PolarHBondContact O-N 3.48Å; T534-F536 PolarHBondContact O-N 2.83Å; F536-I540 HydrophobicContact CD1-CD1 3.99Å; F536-I540 HydrophobicContact CD2-CD1 4.31Å; F536-I540 HydrophobicContact CE1-CD1 3.6Å; F536-I540 HydrophobicContact CE2-CD1 3.97Å; F536-I540 HydrophobicContact CG-CD1 4.34Å; F536-I540 HydrophobicContact CZ-CD1 3.61Å; F536-I540 WeakPolarHBondContact O-CG1 3.41Å; F536-I540 PolarHBondContact O-N 3Å; F536-I540 VanDerWaalsContact O-N 3.08Å |
| 537 | I | 97.4 | Very high | 93.8 | Very high | 106 Ų | 106 | 42.9 Ų | 42.9 | 54% | 0.544 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 177.9 | -69.1 | 165.8 | 0 | 0 | 0 | 110.6 | F533 T535 I540 A541 | F533-I537 VanDerWaalsContact O-CB 3.31Å; F533-I537 WeakPolarHBondContact O-CB 3.23Å; F533-I537 WeakPolarHBondContact O-CD1 3.18Å; F533-I537 WeakPolarHBondContact O-CG1 3.43Å; F533-I537 PolarHBondContact O-N 2.87Å; T535-I537 PolarHBondContact O-N 3.08Å; I537-I540 PolarHBondContact O-N 3.29Å; I537-A541 WeakPolarHBondContact O-CB 3.33Å; I537-A541 PolarHBondContact O-N 3.38Å |
| 538 | I | 95.5 | Very high | 93 | Very high | 34 Ų | 34 | 49.9 Ų | 49.9 | 17% | 0.174 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -43.9 | -179.4 | -66.7 | 167.7 | 0 | 0 | 0 | 110.9 | F91 L94 C95 T534 T535 I540 A541 I542 | F91-I538 HydrophobicContact CD1-CG2 3.87Å; F91-I538 HydrophobicContact CE1-CG2 3.52Å; L94-I538 HydrophobicContact CB-CD1 3.72Å; L94-I538 HydrophobicContact CD1-CD1 3.99Å; L94-I538 HydrophobicContact CG-CD1 4.47Å; C95-I538 VanDerWaalsContact SG-CB 3.53Å; C95-I538 WeakPolarHBondContact SG-CG2 3.48Å; T534-I538 HydrophobicContact CG2-CD1 3.9Å; T534-I538 WeakPolarHBondContact O-CD1 3.25Å; T534-I538 VanDerWaalsContact O-CG1 3.23Å; T534-I538 WeakPolarHBondContact O-CG1 3.31Å; T534-I538 PolarHBondContact O-N 3.24Å; T534-I538 VanDerWaalsContact O-N 3.12Å; T535-I538 PolarHBondContact O-N 2.98Å; I538-I540 VanDerWaalsContact C-N 3.34Å; I538-I540 PolarHBondContact O-N 2.85Å; I538-A541 WeakPolarHBondContact O-CB 3.14Å; I538-A541 PolarHBondContact O-N 3.46Å; I538-A541 VanDerWaalsContact O-N 3.17Å; I538-I542 HydrophobicContact CG2-CD1 3.8Å; I538-I542 HydrophobicContact CG2-CG1 4.33Å; I538-I542 VanDerWaalsContact O-CG1 3.3Å; I538-I542 WeakPolarHBondContact O-CG1 3.3Å; I538-I542 PolarHBondContact O-N 3.16Å |
| 539 | V | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 178.3 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | L99 F323 I492 C495 I496 L499 T535 I542 F543 | L99-V539 HydrophobicContact CD1-CG2 4.41Å; F323-V539 HydrophobicContact CE1-CG2 4.37Å; F323-V539 HydrophobicContact CZ-CG2 3.74Å; I492-V539 HydrophobicContact CD1-CG1 4.5Å; I492-V539 HydrophobicContact CG2-CG1 3.89Å; C495-V539 HydrophobicContact CB-CG1 4.09Å; I496-V539 HydrophobicContact CD1-CG1 4.33Å; I496-V539 HydrophobicContact CG1-CB 4.34Å; I496-V539 HydrophobicContact CG1-CG1 3.6Å; L499-V539 HydrophobicContact CD1-CB 4.46Å; L499-V539 HydrophobicContact CD1-CG2 4.16Å; T535-V539 HydrophobicContact CG2-CG2 4.08Å; T535-V539 VanDerWaalsContact O-CG2 3.29Å; T535-V539 WeakPolarHBondContact O-CG2 3.37Å; T535-V539 PolarHBondContact O-N 3.26Å; V539-I542 PolarHBondContact O-N 2.88Å; V539-F543 PolarHBondContact O-N 2.95Å |
| 540 | I | 95.4 | Very high | 90.6 | Very high | 50 Ų | 50 | 52.8 Ų | 52.8 | 26% | 0.256 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63 | -43 | 172.3 | -72.5 | 174.2 | 0 | 0 | 0 | 111.1 | I496 F536 I537 I538 F543 F544 | I496-I540 HydrophobicContact CD1-CG1 4.09Å; I496-I540 HydrophobicContact CG1-CG1 4.16Å; I496-I540 HydrophobicContact CG2-CG1 4.31Å; F536-I540 HydrophobicContact CD1-CD1 3.99Å; F536-I540 HydrophobicContact CD2-CD1 4.31Å; F536-I540 HydrophobicContact CE1-CD1 3.6Å; F536-I540 HydrophobicContact CE2-CD1 3.97Å; F536-I540 HydrophobicContact CG-CD1 4.34Å; F536-I540 HydrophobicContact CZ-CD1 3.61Å; F536-I540 WeakPolarHBondContact O-CG1 3.41Å; F536-I540 PolarHBondContact O-N 3Å; F536-I540 VanDerWaalsContact O-N 3.08Å; I537-I540 PolarHBondContact O-N 3.29Å; I538-I540 VanDerWaalsContact C-N 3.34Å; I538-I540 PolarHBondContact O-N 2.85Å; I540-F543 WeakPolarHBondContact O-CB 3.27Å; I540-F543 PolarHBondContact O-N 2.94Å; I540-F544 HydrophobicContact CG2-CD2 3.75Å; I540-F544 HydrophobicContact CG2-CE2 3.65Å; I540-F544 VanDerWaalsContact O-CD2 3.26Å; I540-F544 WeakPolarHBondContact O-CD2 3.31Å; I540-F544 PolarHBondContact O-N 3.46Å; I540-F544 VanDerWaalsContact O-N 3.09Å |
| 541 | A | 92.7 | Very high | 89 | Confident | 49 Ų | 49 | 56 Ų | 56 | 41% | 0.405 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I537 I538 F543 F544 V545 | I537-A541 WeakPolarHBondContact O-CB 3.33Å; I537-A541 PolarHBondContact O-N 3.38Å; I538-A541 WeakPolarHBondContact O-CB 3.14Å; I538-A541 PolarHBondContact O-N 3.46Å; I538-A541 VanDerWaalsContact O-N 3.17Å; A541-F543 VanDerWaalsContact C-N 3.32Å; A541-F543 PolarHBondContact O-N 3.48Å; A541-F544 PolarHBondContact O-N 2.89Å; A541-V545 WeakPolarHBondContact O-CB 3.39Å; A541-V545 VanDerWaalsContact O-CG2 3.29Å; A541-V545 WeakPolarHBondContact O-CG2 3.44Å; A541-V545 PolarHBondContact O-N 2.87Å |
| 542 | I | 90.4 | Very high | 87.3 | Confident | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.046 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.2 | -45 | 174.8 | -67.6 | 159.3 | 0 | 0 | 0 | 110.3 | F91 A319 F323 F488 I492 I538 V539 F544 V545 S546 | F91-I542 HydrophobicContact CD1-CD1 4.09Å; F91-I542 HydrophobicContact CE1-CD1 3.77Å; F91-I542 HydrophobicContact CE1-CG1 4.08Å; A319-I542 HydrophobicContact CB-CD1 3.62Å; A319-I542 HydrophobicContact CB-CG1 3.86Å; A319-I542 HydrophobicContact CB-CG2 4.34Å; F323-I542 HydrophobicContact CE2-CD1 4.19Å; F488-I542 HydrophobicContact CZ-CG2 4Å; I492-I542 HydrophobicContact CD1-CG2 3.97Å; I492-I542 HydrophobicContact CG1-CG2 4.38Å; I538-I542 HydrophobicContact CG2-CD1 3.8Å; I538-I542 HydrophobicContact CG2-CG1 4.33Å; I538-I542 VanDerWaalsContact O-CG1 3.3Å; I538-I542 WeakPolarHBondContact O-CG1 3.3Å; I538-I542 PolarHBondContact O-N 3.16Å; V539-I542 PolarHBondContact O-N 2.88Å; I542-F544 PolarHBondContact O-N 3.37Å; I542-V545 PolarHBondContact O-N 3.45Å; I542-S546 VanDerWaalsContact O-CB 3.28Å; I542-S546 WeakPolarHBondContact O-CB 3.42Å; I542-S546 PolarHBondContact O-N 3.37Å; I542-S546 PolarHBondContact O-OG 3.16Å |
| 543 | F | 90.6 | Very high | 86 | Confident | 53 Ų | 53 | 61.7 Ų | 61.7 | 23% | 0.232 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56 | -52.9 | 177.1 | 175.1 | -102.5 | 0 | 0 | 0 | 111.9 | I489 I492 V493 I496 V539 I540 A541 S546 V547 | I489-F543 HydrophobicContact CG2-CE2 4.06Å; I492-F543 HydrophobicContact CG2-CB 3.65Å; I492-F543 HydrophobicContact CG2-CD2 4.17Å; I492-F543 HydrophobicContact CG2-CG 4.4Å; V493-F543 HydrophobicContact CG2-CD2 3.95Å; V493-F543 HydrophobicContact CG2-CE2 3.58Å; V493-F543 HydrophobicContact CG2-CZ 4.45Å; I496-F543 HydrophobicContact CD1-CB 3.85Å; I496-F543 HydrophobicContact CD1-CG 4.15Å; V539-F543 PolarHBondContact O-N 2.95Å; I540-F543 WeakPolarHBondContact O-CB 3.27Å; I540-F543 PolarHBondContact O-N 2.94Å; A541-F543 VanDerWaalsContact C-N 3.32Å; A541-F543 PolarHBondContact O-N 3.48Å; F543-S546 PolarHBondContact O-N 2.99Å; F543-V547 HydrophobicContact CD2-CG2 4.42Å; F543-V547 HydrophobicContact CE1-CG2 4.22Å; F543-V547 HydrophobicContact CE2-CG2 4.04Å; F543-V547 HydrophobicContact CZ-CG2 3.93Å; F543-V547 WeakPolarHBondContact O-CG2 3.23Å; F543-V547 PolarHBondContact O-N 3.03Å |
| 544 | F | 89.5 | Confident | 85.2 | Confident | 105 Ų | 105 | 58.4 Ų | 58.4 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | -179.6 | -78.7 | -69.1 | 0 | 0 | 0 | 112 | I540 A541 I542 S546 V547 F548 | I540-F544 HydrophobicContact CG2-CD2 3.75Å; I540-F544 HydrophobicContact CG2-CE2 3.65Å; I540-F544 VanDerWaalsContact O-CD2 3.26Å; I540-F544 WeakPolarHBondContact O-CD2 3.31Å; I540-F544 PolarHBondContact O-N 3.46Å; I540-F544 VanDerWaalsContact O-N 3.09Å; A541-F544 PolarHBondContact O-N 2.89Å; I542-F544 PolarHBondContact O-N 3.37Å; F544-S546 VanDerWaalsContact C-N 3.29Å; F544-S546 PolarHBondContact O-N 2.81Å; F544-V547 PolarHBondContact O-N 3.04Å; F544-F548 HydrophobicContact CB-CD2 4.16Å; F544-F548 HydrophobicContact CB-CE2 4Å; F544-F548 HydrophobicContact CD1-CE2 4.03Å; F544-F548 HydrophobicContact CG-CE2 4.44Å; F544-F548 WeakPolarHBondContact O-CB 3.39Å; F544-F548 WeakPolarHBondContact O-CD2 3.38Å; F544-F548 WeakPolarHBondContact O-CG 3.42Å; F544-F548 PolarHBondContact O-N 3.12Å |
| 545 | V | 86.8 | Confident | 84.6 | Confident | 54 Ų | 54 | 61.3 Ų | 61.3 | 33% | 0.327 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 175.4 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | A541 I542 V547 F548 Q549 | A541-V545 WeakPolarHBondContact O-CB 3.39Å; A541-V545 VanDerWaalsContact O-CG2 3.29Å; A541-V545 WeakPolarHBondContact O-CG2 3.44Å; A541-V545 PolarHBondContact O-N 2.87Å; I542-V545 PolarHBondContact O-N 3.45Å; V545-V547 VanDerWaalsContact C-N 3.34Å; V545-V547 PolarHBondContact O-N 3.01Å; V545-F548 PolarHBondContact O-N 2.82Å; V545-Q549 HydrophobicContact CG1-CG 4.11Å; V545-Q549 VanDerWaalsContact O-CB 3.29Å; V545-Q549 WeakPolarHBondContact O-CB 3.48Å; V545-Q549 WeakPolarHBondContact O-CG 3.36Å; V545-Q549 PolarHBondContact O-N 3.12Å |
| 546 | S | 82.3 | Confident | 83.9 | Confident | 14 Ų | 14 | 63 Ų | 63 | 10% | 0.098 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65 | -37.3 | 179.4 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | F488 I542 F543 F544 Y550 | F488-S546 WeakPolarHBondContact CE1-OG 3.41Å; I542-S546 VanDerWaalsContact O-CB 3.28Å; I542-S546 WeakPolarHBondContact O-CB 3.42Å; I542-S546 PolarHBondContact O-N 3.37Å; I542-S546 PolarHBondContact O-OG 3.16Å; F543-S546 PolarHBondContact O-N 2.99Å; F544-S546 VanDerWaalsContact C-N 3.29Å; F544-S546 PolarHBondContact O-N 2.81Å; S546-Y550 PolarHBondContact O-N 3.21Å |
| 547 | V | 82.5 | Confident | 82.8 | Confident | 64 Ų | 64 | 64.5 Ų | 64.5 | 39% | 0.388 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.1 | -39.8 | 175 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | F543 F544 V545 Y550 | F543-V547 HydrophobicContact CD2-CG2 4.42Å; F543-V547 HydrophobicContact CE1-CG2 4.22Å; F543-V547 HydrophobicContact CE2-CG2 4.04Å; F543-V547 HydrophobicContact CZ-CG2 3.93Å; F543-V547 WeakPolarHBondContact O-CG2 3.23Å; F543-V547 PolarHBondContact O-N 3.03Å; F544-V547 PolarHBondContact O-N 3.04Å; V545-V547 VanDerWaalsContact C-N 3.34Å; V545-V547 PolarHBondContact O-N 3.01Å; V547-Y550 WeakPolarHBondContact O-CB 3.2Å; V547-Y550 PolarHBondContact O-N 3.41Å |
| 548 | F | 78.5 | Confident | 81.3 | Confident | 167 Ų | 167 | 66.3 Ų | 66.3 | 73% | 0.732 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -75.7 | -33.3 | 179.9 | -73.5 | -59.5 | 0 | 0 | 0 | 113.5 | F544 V545 Y550 | F544-F548 HydrophobicContact CB-CD2 4.16Å; F544-F548 HydrophobicContact CB-CE2 4Å; F544-F548 HydrophobicContact CD1-CE2 4.03Å; F544-F548 HydrophobicContact CG-CE2 4.44Å; F544-F548 WeakPolarHBondContact O-CB 3.39Å; F544-F548 WeakPolarHBondContact O-CD2 3.38Å; F544-F548 WeakPolarHBondContact O-CG 3.42Å; F544-F548 PolarHBondContact O-N 3.12Å; V545-F548 PolarHBondContact O-N 2.82Å; F548-Y550 PolarHBondContact O-N 3.32Å |
| 549 | Q | 73.9 | Confident | 80.1 | Confident | 71 Ų | 71 | 72.6 Ų | 72.6 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -3.7 | 174.4 | -70.5 | -173.8 | -37.8 | 0 | 0 | 112.8 | S316 V545 S551 | S316-Q549 VanDerWaalsContact CB-OE1 3.26Å; S316-Q549 PolarHBondContact OG-OE1 3.44Å; V545-Q549 HydrophobicContact CG1-CG 4.11Å; V545-Q549 VanDerWaalsContact O-CB 3.29Å; V545-Q549 WeakPolarHBondContact O-CB 3.48Å; V545-Q549 WeakPolarHBondContact O-CG 3.36Å; V545-Q549 PolarHBondContact O-N 3.12Å; Q549-S551 PolarHBondContact O-N 2.96Å; Q549-S551 PolarHBondContact O-OG 3.08Å |
| 550 | Y | 69.9 | Low | 79.7 | Confident | 69 Ų | 69 | 74.2 Ų | 74.2 | 27% | 0.271 | 40% | 0.4 | S | S | . | . | trans | -62.1 | 106 | -179.4 | -160.2 | -89 | 0 | 0 | 0 | 110.8 | Y485 I489 S546 V547 F548 W571 | Y485-Y550 VanDerWaalsContact CD1-OH 3.3Å; Y485-Y550 WeakPolarHBondContact CD1-OH 3.26Å; Y485-Y550 AromaticContact CE1-CZ 3.99Å; Y485-Y550 WeakPolarHBondContact CE1-OH 2.96Å; Y485-Y550 WeakPolarHBondContact CE2-OH 3.45Å; Y485-Y550 PolarHBondContact OH-OH 3.12Å; Y485-Y550 VanDerWaalsContact OH-OH 3.06Å; I489-Y550 HydrophobicContact CD1-CD2 4.35Å; I489-Y550 HydrophobicContact CD1-CE2 4.33Å; S546-Y550 PolarHBondContact O-N 3.21Å; V547-Y550 WeakPolarHBondContact O-CB 3.2Å; V547-Y550 PolarHBondContact O-N 3.41Å; F548-Y550 PolarHBondContact O-N 3.32Å; Y550-W571 HydrophobicContact CE1-CZ2 4.48Å | ||
| 551 | S | 63.4 | Low | 79.4 | Confident | 88 Ų | 88 | 77.5 Ų | 77.5 | 62% | 0.615 | 41% | 0.412 | S | S | * | . | trans | -85.1 | 134.8 | -178.9 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | Q549 D553 | Q549-S551 PolarHBondContact O-N 2.96Å; Q549-S551 PolarHBondContact O-OG 3.08Å; S551-D553 PolarHBondContact O-N 3.38Å | ||
| 552 | T | 63 | Low | 79.3 | Confident | 125 Ų | 125 | 75.5 Ų | 75.5 | 77% | 0.767 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -74.8 | -12.3 | 177 | 51.5 | 0 | 0 | 0 | 0 | 113.3 | F554 | T552-F554 PolarHBondContact O-N 3.07Š|
| 553 | D | 70 | Confident | 79.3 | Confident | 65 Ų | 65 | 76.3 Ų | 76.3 | 35% | 0.348 | 40% | 0.4 | S | S | . | . | trans | -93.1 | 70.1 | -177.9 | -155 | 15 | 0 | 0 | 0 | 111 | S551 R555 K561 | S551-D553 PolarHBondContact O-N 3.38Å; D553-R555 VanDerWaalsContact CG-NE 3.31Å; D553-R555 PolarHBondContact O-N 3.33Å; D553-R555 IonicContact OD1-CZ 3.3Å; D553-R555 IonicContact OD1-NE 3.77Å; D553-R555 PolarHBondContact OD1-NE 3.47Å; D553-R555 VanDerWaalsContact OD1-NE 3.12Å; D553-R555 IonicContact OD1-NH2 2.74Å; D553-R555 IonicContact OD2-CZ 2.74Å; D553-R555 IonicContact OD2-NE 3.41Å; D553-R555 PolarHBondContact OD2-NE 2.87Å; D553-R555 VanDerWaalsContact OD2-NE 3.11Å; D553-R555 IonicContact OD2-NH2 2.83Å; D553-R555 PolarHBondContact OD2-NH2 3.21Å; D553-K561 WeakPolarHBondContact OD1-CD 3.39Å; D553-K561 WeakPolarHBondContact OD1-CE 3.49Å; D553-K561 IonicContact OD1-NZ 3.73Å; D553-K561 PolarHBondContact OD1-NZ 3.06Å | ||
| 554 | F | 81.1 | Confident | 79.3 | Confident | 19 Ų | 19 | 79.6 Ų | 79.6 | 8% | 0.083 | 42% | 0.424 | C | S | . | . | trans | -75.6 | 117.7 | 178.5 | -172.9 | -125 | 0 | 0 | 0 | 110.3 | H480 L481 Q484 Y485 T552 Y562 | H480-F554 AromaticContact CE1-CE2 3.36Å; H480-F554 WeakPolarHBondContact CE1-CE2 3.29Å; H480-F554 AromaticContact CE1-CZ 3.27Å; H480-F554 WeakPolarHBondContact CE1-CZ 3.49Å; H480-F554 AromaticContact ND1-CE1 3.81Å; H480-F554 AromaticContact ND1-CE2 3.79Å; H480-F554 AromaticContact ND1-CZ 3.17Å; H480-F554 WeakPolarHBondContact ND1-CZ 3.39Å; L481-F554 HydrophobicContact CB-CE1 4.24Å; L481-F554 HydrophobicContact CD1-CD1 4.15Å; L481-F554 HydrophobicContact CD1-CE1 3.69Å; Q484-F554 HydrophobicContact CB-CE2 3.79Å; Q484-F554 HydrophobicContact CB-CZ 3.92Å; Q484-F554 HydrophobicContact CG-CD2 4.31Å; Q484-F554 HydrophobicContact CG-CE2 3.63Å; Q484-F554 HydrophobicContact CG-CZ 4.26Å; Y485-F554 HydrophobicContact CD2-CE1 4.49Å; Y485-F554 HydrophobicContact CD2-CZ 4.48Å; Y485-F554 AromaticContact CE2-CD1 3.81Å; Y485-F554 HydrophobicContact CE2-CD1 3.81Å; Y485-F554 HydrophobicContact CE2-CD2 4.21Å; Y485-F554 AromaticContact CE2-CE1 3.86Å; Y485-F554 HydrophobicContact CE2-CE1 3.86Å; Y485-F554 HydrophobicContact CE2-CE2 4.26Å; Y485-F554 AromaticContact CE2-CG 3.99Å; Y485-F554 HydrophobicContact CE2-CG 3.99Å; Y485-F554 HydrophobicContact CE2-CZ 4.07Å; T552-F554 PolarHBondContact O-N 3.07Å; F554-Y562 AromaticContact CD1-CD1 3.95Å; F554-Y562 HydrophobicContact CD1-CD1 3.95Å; F554-Y562 AromaticContact CD1-CD2 3.31Å; F554-Y562 HydrophobicContact CD1-CD2 3.31Å; F554-Y562 HydrophobicContact CD1-CE1 4.37Å; F554-Y562 AromaticContact CD1-CE2 3.81Å; F554-Y562 HydrophobicContact CD1-CE2 3.81Å; F554-Y562 AromaticContact CD1-CG 3.39Å; F554-Y562 HydrophobicContact CD1-CG 3.39Å; F554-Y562 AromaticContact CE1-CD1 3.89Å; F554-Y562 HydrophobicContact CE1-CD1 3.89Å; F554-Y562 AromaticContact CE1-CD2 3.58Å; F554-Y562 HydrophobicContact CE1-CD2 3.58Å; F554-Y562 AromaticContact CE1-CE1 3.86Å; F554-Y562 HydrophobicContact CE1-CE1 3.86Å; F554-Y562 AromaticContact CE1-CE2 3.57Å; F554-Y562 HydrophobicContact CE1-CE2 3.57Å; F554-Y562 AromaticContact CE1-CG 3.75Å; F554-Y562 HydrophobicContact CE1-CG 3.75Å; F554-Y562 AromaticContact CE1-CZ 3.72Å; F554-Y562 HydrophobicContact CG-CD2 4.09Å; F554-Y562 HydrophobicContact CG-CG 4.43Å; F554-Y562 HydrophobicContact CZ-CE2 4.23Å; F554-Y562 WeakPolarHBondContact O-CD2 3.47Å; F554-Y562 PolarHBondContact O-N 2.96Å | ||
| 555 | R | 83.1 | Confident | 79.5 | Confident | 116 Ų | 116 | 80.7 Ų | 80.7 | 44% | 0.438 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 152.5 | -176.8 | -60.3 | -171.1 | -175 | -177 | 4.8 | 111.5 | H480 D553 Y560 K561 | H480-R555 PolarHBondContact CE1-O 3.44Å; H480-R555 VanDerWaalsContact CE1-O 3.31Å; D553-R555 VanDerWaalsContact CG-NE 3.31Å; D553-R555 PolarHBondContact O-N 3.33Å; D553-R555 IonicContact OD1-CZ 3.3Å; D553-R555 IonicContact OD1-NE 3.77Å; D553-R555 PolarHBondContact OD1-NE 3.47Å; D553-R555 VanDerWaalsContact OD1-NE 3.12Å; D553-R555 IonicContact OD1-NH2 2.74Å; D553-R555 IonicContact OD2-CZ 2.74Å; D553-R555 IonicContact OD2-NE 3.41Å; D553-R555 PolarHBondContact OD2-NE 2.87Å; D553-R555 VanDerWaalsContact OD2-NE 3.11Å; D553-R555 IonicContact OD2-NH2 2.83Å; D553-R555 PolarHBondContact OD2-NH2 3.21Å; R555-Y560 CarbonylContact C-O 3.55Å; R555-Y560 WeakPolarHBondContact CA-O 3.41Å; R555-Y560 WeakPolarHBondContact CB-O 3.41Å; R555-K561 HydrophobicContact CG-CB 4.29Å; R555-K561 HydrophobicContact CG-CG 4.44Å |
| 556 | M | 82 | Confident | 79.7 | Confident | 35 Ų | 35 | 78.1 Ų | 78.1 | 17% | 0.172 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 116.3 | 167.7 | 175.9 | 174 | 173.4 | 0 | 0 | 107.9 | I476 Y477 H480 Y560 Y562 | I476-M556 HydrophobicContact CG1-CE 3.87Å; I476-M556 HydrophobicContact CG2-CE 4.19Å; Y477-M556 HydrophobicContact CD1-SD 3.46Å; Y477-M556 WeakPolarHBondContact CD1-SD 3.39Å; Y477-M556 HydrophobicContact CE1-SD 3.63Å; Y477-M556 HydrophobicContact CG-SD 4.38Å; H480-M556 HydrophobicContact CB-SD 4.45Å; M556-Y560 HydrophobicContact CB-CD1 4.35Å; M556-Y560 PolarHBondContact N-O 3.42Å; M556-Y562 HydrophobicContact CB-CE2 3.77Å |
| 557 | G | 74.6 | Confident | 80 | Confident | 61 Ų | 61 | 79.1 Ų | 79.1 | 63% | 0.629 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | -164.6 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 558 | D | 66.7 | Low | 80.4 | Confident | 145 Ų | 145 | 77.9 Ų | 77.9 | 78% | 0.775 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -30.4 | -177.2 | -66.4 | -43.7 | 0 | 0 | 0 | 112.9 | ||
| 559 | D | 70.9 | Confident | 81 | Confident | 165 Ų | 165 | 72.2 Ų | 72.2 | 88% | 0.882 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -33 | -164.2 | -61 | -39.5 | 0 | 0 | 0 | 114.7 | ||
| 560 | Y | 86 | Confident | 81.8 | Confident | 35 Ų | 35 | 68.9 Ų | 68.9 | 14% | 0.137 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 115.3 | -171.9 | -177.2 | -101 | 0 | 0 | 0 | 112.6 | S232 G233 I234 E235 Y477 R555 M556 Y562 | S232-Y560 WeakPolarHBondContact O-CD2 3.5Å; S232-Y560 WeakPolarHBondContact O-CE2 3.47Å; G233-Y560 VanDerWaalsContact CA-CE2 3.44Å; G233-Y560 WeakPolarHBondContact CA-OH 3.45Å; I234-Y560 WeakPolarHBondContact CG2-OH 3.33Å; I234-Y560 PolarHBondContact N-OH 3.46Å; E235-Y560 PolarHBondContact OE1-OH 2.94Å; E235-Y560 PolarHBondContact OE2-OH 3.31Å; Y477-Y560 AromaticContact CD1-CD1 3.78Å; Y477-Y560 HydrophobicContact CD1-CD1 3.78Å; Y477-Y560 AromaticContact CD1-CE1 3.69Å; Y477-Y560 HydrophobicContact CD1-CE1 3.69Å; Y477-Y560 AromaticContact CE1-CD1 3.62Å; Y477-Y560 HydrophobicContact CE1-CD1 3.62Å; Y477-Y560 AromaticContact CE1-CE1 3.88Å; Y477-Y560 HydrophobicContact CE1-CE1 3.88Å; Y477-Y560 AromaticContact CE1-CG 3.97Å; Y477-Y560 HydrophobicContact CE1-CG 3.97Å; Y477-Y560 HydrophobicContact CG-CE1 4.46Å; R555-Y560 CarbonylContact C-O 3.55Å; R555-Y560 WeakPolarHBondContact CA-O 3.41Å; R555-Y560 WeakPolarHBondContact CB-O 3.41Å; M556-Y560 HydrophobicContact CB-CD1 4.35Å; M556-Y560 PolarHBondContact N-O 3.42Å; Y560-Y562 HydrophobicContact CD1-CD2 4.06Å; Y560-Y562 AromaticContact CD1-CE2 3.91Å; Y560-Y562 HydrophobicContact CD1-CE2 3.91Å; Y560-Y562 HydrophobicContact CE1-CD1 4.12Å; Y560-Y562 AromaticContact CE1-CD2 3.88Å; Y560-Y562 HydrophobicContact CE1-CD2 3.88Å; Y560-Y562 HydrophobicContact CE1-CE1 4.14Å; Y560-Y562 AromaticContact CE1-CE2 3.9Å; Y560-Y562 HydrophobicContact CE1-CE2 3.9Å; Y560-Y562 AromaticContact CE1-CG 3.99Å; Y560-Y562 HydrophobicContact CE1-CG 3.99Å |
| 561 | K | 89.6 | Confident | 82.7 | Confident | 118 Ų | 118 | 70.6 Ų | 70.6 | 51% | 0.513 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.6 | 173.7 | -176.7 | 174.4 | -178.3 | 155.4 | 0 | 111.1 | D553 R555 | D553-K561 WeakPolarHBondContact OD1-CD 3.39Å; D553-K561 WeakPolarHBondContact OD1-CE 3.49Å; D553-K561 IonicContact OD1-NZ 3.73Å; D553-K561 PolarHBondContact OD1-NZ 3.06Å; R555-K561 HydrophobicContact CG-CB 4.29Å; R555-K561 HydrophobicContact CG-CG 4.44Å |
| 562 | Y | 90.4 | Very high | 84.1 | Confident | 8 Ų | 8 | 71.9 Ų | 71.9 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 139.9 | -180 | -77.6 | -104.3 | 0 | 0 | 0 | 111.7 | I234 Y477 H480 L481 F554 M556 Y560 A566 | I234-Y562 HydrophobicContact CB-CE1 4.5Å; I234-Y562 HydrophobicContact CD1-CD1 4.48Å; I234-Y562 HydrophobicContact CD1-CE1 4.24Å; I234-Y562 HydrophobicContact CG2-CD1 4.29Å; Y477-Y562 VanDerWaalsContact CA-OH 3.31Å; Y477-Y562 WeakPolarHBondContact CA-OH 3.37Å; Y477-Y562 PolarHBondContact O-OH 3.37Å; Y477-Y562 VanDerWaalsContact O-OH 3.13Å; H480-Y562 AromaticContact ND1-CE2 3.66Å; H480-Y562 AromaticContact ND1-CZ 3.63Å; H480-Y562 PolarHBondContact ND1-OH 3.42Å; H480-Y562 VanDerWaalsContact ND1-OH 3.1Å; L481-Y562 HydrophobicContact CB-CE1 4.2Å; L481-Y562 HydrophobicContact CD1-CD1 4.45Å; F554-Y562 AromaticContact CD1-CD1 3.95Å; F554-Y562 HydrophobicContact CD1-CD1 3.95Å; F554-Y562 AromaticContact CD1-CD2 3.31Å; F554-Y562 HydrophobicContact CD1-CD2 3.31Å; F554-Y562 HydrophobicContact CD1-CE1 4.37Å; F554-Y562 AromaticContact CD1-CE2 3.81Å; F554-Y562 HydrophobicContact CD1-CE2 3.81Å; F554-Y562 AromaticContact CD1-CG 3.39Å; F554-Y562 HydrophobicContact CD1-CG 3.39Å; F554-Y562 AromaticContact CE1-CD1 3.89Å; F554-Y562 HydrophobicContact CE1-CD1 3.89Å; F554-Y562 AromaticContact CE1-CD2 3.58Å; F554-Y562 HydrophobicContact CE1-CD2 3.58Å; F554-Y562 AromaticContact CE1-CE1 3.86Å; F554-Y562 HydrophobicContact CE1-CE1 3.86Å; F554-Y562 AromaticContact CE1-CE2 3.57Å; F554-Y562 HydrophobicContact CE1-CE2 3.57Å; F554-Y562 AromaticContact CE1-CG 3.75Å; F554-Y562 HydrophobicContact CE1-CG 3.75Å; F554-Y562 AromaticContact CE1-CZ 3.72Å; F554-Y562 HydrophobicContact CG-CD2 4.09Å; F554-Y562 HydrophobicContact CG-CG 4.43Å; F554-Y562 HydrophobicContact CZ-CE2 4.23Å; F554-Y562 WeakPolarHBondContact O-CD2 3.47Å; F554-Y562 PolarHBondContact O-N 2.96Å; M556-Y562 HydrophobicContact CB-CE2 3.77Å; Y560-Y562 HydrophobicContact CD1-CD2 4.06Å; Y560-Y562 AromaticContact CD1-CE2 3.91Å; Y560-Y562 HydrophobicContact CD1-CE2 3.91Å; Y560-Y562 HydrophobicContact CE1-CD1 4.12Å; Y560-Y562 AromaticContact CE1-CD2 3.88Å; Y560-Y562 HydrophobicContact CE1-CD2 3.88Å; Y560-Y562 HydrophobicContact CE1-CE1 4.14Å; Y560-Y562 AromaticContact CE1-CE2 3.9Å; Y560-Y562 HydrophobicContact CE1-CE2 3.9Å; Y560-Y562 AromaticContact CE1-CG 3.99Å; Y560-Y562 HydrophobicContact CE1-CG 3.99Å; Y562-A566 HydrophobicContact CD1-CB 4.23Å |
| 563 | P | 91.6 | Very high | 85.5 | Confident | 25 Ų | 25 | 67.8 Ų | 67.8 | 16% | 0.162 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 153.4 | 175.1 | 34.2 | -39.3 | 0 | 0 | 0 | 110.4 | I234 E235 W565 A566 I567 | I234-P563 HydrophobicContact CG2-CG 3.87Å; E235-P563 HydrophobicContact CG-CG 4.37Å; E235-P563 WeakPolarHBondContact OE1-CB 3.46Å; E235-P563 WeakPolarHBondContact OE1-CD 3.4Å; E235-P563 WeakPolarHBondContact OE1-CG 3.33Å; P563-W565 VanDerWaalsContact C-N 3.25Å; P563-W565 HydrophobicContact CB-CG 4.39Å; P563-W565 HydrophobicContact CG-CD2 4.22Å; P563-W565 HydrophobicContact CG-CG 4.35Å; P563-W565 HydrophobicContact CG-CZ2 3.87Å; P563-W565 PolarHBondContact O-N 3.48Å; P563-A566 HydrophobicContact CG-CB 3.68Å; P563-A566 WeakPolarHBondContact O-CB 3.49Å; P563-A566 PolarHBondContact O-N 2.77Å; P563-I567 PolarHBondContact O-N 2.9Å |
| 564 | T | 89.2 | Confident | 86.4 | Confident | 122 Ų | 122 | 64.7 Ų | 64.7 | 75% | 0.748 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.7 | -31.6 | -177.1 | 51.5 | 0 | 0 | 0 | 0 | 113.4 | A566 I567 G568 | T564-A566 VanDerWaalsContact C-N 3.32Å; T564-A566 PolarHBondContact O-N 2.81Å; T564-I567 WeakPolarHBondContact O-CB 3.37Å; T564-I567 PolarHBondContact O-N 3.21Å; T564-G568 PolarHBondContact O-N 3.45Å; T564-G568 VanDerWaalsContact O-N 3.13Å |
| 565 | W | 93.5 | Very high | 86.9 | Confident | 128 Ų | 128 | 66.3 Ų | 66.3 | 49% | 0.485 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.9 | -35 | 175.6 | 70.6 | -100.9 | 0 | 0 | 0 | 111.8 | I234 E235 P563 G568 V569 | I234-W565 HydrophobicContact CG1-CH2 4.33Å; I234-W565 HydrophobicContact CG2-CH2 3.85Å; I234-W565 HydrophobicContact CG2-CZ2 3.78Å; E235-W565 HydrophobicContact CG-CZ2 4.06Å; P563-W565 VanDerWaalsContact C-N 3.25Å; P563-W565 HydrophobicContact CB-CG 4.39Å; P563-W565 HydrophobicContact CG-CD2 4.22Å; P563-W565 HydrophobicContact CG-CG 4.35Å; P563-W565 HydrophobicContact CG-CZ2 3.87Å; P563-W565 PolarHBondContact O-N 3.48Å; W565-G568 CarbonylContact O-C 3.59Å; W565-G568 WeakPolarHBondContact O-CA 3.45Å; W565-G568 PolarHBondContact O-N 2.94Å; W565-G568 VanDerWaalsContact O-N 3.12Å; W565-V569 HydrophobicContact CE3-CG2 3.89Å; W565-V569 HydrophobicContact CZ3-CG2 4.02Å; W565-V569 PolarHBondContact O-N 2.99Å |
| 566 | A | 91.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.2 | -39 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | I234 L481 Y562 P563 T564 G568 V569 G570 | I234-A566 HydrophobicContact CD1-CB 4.06Å; I234-A566 HydrophobicContact CG2-CB 3.73Å; L481-A566 HydrophobicContact CD2-CB 4.4Å; L481-A566 VanDerWaalsContact CD2-O 3.3Å; L481-A566 WeakPolarHBondContact CD2-O 3.42Å; Y562-A566 HydrophobicContact CD1-CB 4.23Å; P563-A566 HydrophobicContact CG-CB 3.68Å; P563-A566 WeakPolarHBondContact O-CB 3.49Å; P563-A566 PolarHBondContact O-N 2.77Å; T564-A566 VanDerWaalsContact C-N 3.32Å; T564-A566 PolarHBondContact O-N 2.81Å; A566-G568 PolarHBondContact O-N 2.84Å; A566-V569 WeakPolarHBondContact O-CA 3.41Å; A566-V569 WeakPolarHBondContact O-CB 3.35Å; A566-V569 PolarHBondContact O-N 3.32Å; A566-G570 PolarHBondContact O-N 2.95Å |
| 567 | I | 88.9 | Confident | 88 | Confident | 35 Ų | 35 | 64 Ų | 64 | 18% | 0.179 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.5 | -42.8 | 169.9 | -63.1 | 179 | 0 | 0 | 0 | 110.3 | Y485 P563 T564 V569 G570 W571 | Y485-I567 HydrophobicContact CE1-CB 4.5Å; Y485-I567 HydrophobicContact CE1-CG2 3.77Å; P563-I567 PolarHBondContact O-N 2.9Å; T564-I567 WeakPolarHBondContact O-CB 3.37Å; T564-I567 PolarHBondContact O-N 3.21Å; I567-V569 PolarHBondContact O-N 3.17Å; I567-G570 PolarHBondContact O-N 2.97Å; I567-W571 VanDerWaalsContact O-CD1 3.31Å; I567-W571 PolarHBondContact O-N 3.37Å |
| 568 | G | 90 | Very high | 88.9 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 40% | 0.402 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T564 W565 A566 W571 L572 | T564-G568 PolarHBondContact O-N 3.45Å; T564-G568 VanDerWaalsContact O-N 3.13Å; W565-G568 CarbonylContact O-C 3.59Å; W565-G568 WeakPolarHBondContact O-CA 3.45Å; W565-G568 PolarHBondContact O-N 2.94Å; W565-G568 VanDerWaalsContact O-N 3.12Å; A566-G568 PolarHBondContact O-N 2.84Å; G568-W571 PolarHBondContact O-N 3.4Å; G568-L572 WeakPolarHBondContact O-CB 3.3Å; G568-L572 PolarHBondContact O-N 2.98Å |
| 569 | V | 91.8 | Very high | 90.2 | Very high | 48 Ų | 48 | 57.1 Ų | 57.1 | 29% | 0.291 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 173.8 | 173 | 0 | 0 | 0 | 0 | 111.2 | L481 W565 A566 I567 W571 L572 I573 | L481-V569 HydrophobicContact CD2-CG1 4.5Å; W565-V569 HydrophobicContact CE3-CG2 3.89Å; W565-V569 HydrophobicContact CZ3-CG2 4.02Å; W565-V569 PolarHBondContact O-N 2.99Å; A566-V569 WeakPolarHBondContact O-CA 3.41Å; A566-V569 WeakPolarHBondContact O-CB 3.35Å; A566-V569 PolarHBondContact O-N 3.32Å; I567-V569 PolarHBondContact O-N 3.17Å; V569-W571 PolarHBondContact O-N 3.29Å; V569-L572 WeakPolarHBondContact O-CB 3.37Å; V569-L572 PolarHBondContact O-N 3.37Å; V569-L572 VanDerWaalsContact O-N 3.16Å; V569-I573 HydrophobicContact CG1-CD1 3.94Å; V569-I573 HydrophobicContact CG1-CG1 4.43Å; V569-I573 WeakPolarHBondContact O-CG1 3.4Å; V569-I573 PolarHBondContact O-N 3.01Å |
| 570 | G | 90.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.8 | -48.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A566 I567 L572 I573 A574 | A566-G570 PolarHBondContact O-N 2.95Å; I567-G570 PolarHBondContact O-N 2.97Å; G570-L572 PolarHBondContact O-N 2.84Å; G570-I573 PolarHBondContact O-N 3.29Å; G570-A574 WeakPolarHBondContact O-CB 3.31Å; G570-A574 PolarHBondContact O-N 3.37Å |
| 571 | W | 89.7 | Confident | 91.8 | Very high | 105 Ų | 105 | 50.8 Ų | 50.8 | 40% | 0.398 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.7 | -35.5 | 175 | -78.7 | 112.6 | 0 | 0 | 0 | 113.5 | Y485 I489 Y550 I567 G568 V569 A574 S575 | Y485-W571 AromaticContact CD1-CD1 3.95Å; Y485-W571 HydrophobicContact CD1-CD2 4.28Å; Y485-W571 HydrophobicContact CD1-CG 4.24Å; Y485-W571 AromaticContact CD1-NE1 3.83Å; Y485-W571 AromaticContact CE1-CD1 3.78Å; Y485-W571 HydrophobicContact CE1-CG 4.49Å; Y485-W571 AromaticContact CE1-NE1 3.52Å; I489-W571 HydrophobicContact CD1-CH2 4.01Å; Y550-W571 HydrophobicContact CE1-CZ2 4.48Å; I567-W571 VanDerWaalsContact O-CD1 3.31Å; I567-W571 PolarHBondContact O-N 3.37Å; G568-W571 PolarHBondContact O-N 3.4Å; V569-W571 PolarHBondContact O-N 3.29Å; W571-A574 HydrophobicContact CE3-CB 4.45Å; W571-A574 PolarHBondContact O-N 2.87Å; W571-S575 VanDerWaalsContact O-CB 3.31Å; W571-S575 WeakPolarHBondContact O-CB 3.21Å; W571-S575 PolarHBondContact O-N 2.75Å |
| 572 | L | 92.1 | Very high | 92.2 | Very high | 115 Ų | 115 | 48.7 Ų | 48.7 | 60% | 0.602 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.7 | -45.2 | 175.4 | -177.8 | 65.7 | 0 | 0 | 0 | 111 | G568 V569 G570 S575 | G568-L572 WeakPolarHBondContact O-CB 3.3Å; G568-L572 PolarHBondContact O-N 2.98Å; V569-L572 WeakPolarHBondContact O-CB 3.37Å; V569-L572 PolarHBondContact O-N 3.37Å; V569-L572 VanDerWaalsContact O-N 3.16Å; G570-L572 PolarHBondContact O-N 2.84Å; L572-S575 PolarHBondContact O-N 3.32Å; L572-S575 PolarHBondContact O-OG 3.03Å |
| 573 | I | 91.9 | Very high | 92.5 | Very high | 39 Ų | 39 | 53 Ų | 53 | 20% | 0.2 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 176.6 | -61.5 | 168.6 | 0 | 0 | 0 | 110.3 | I137 L478 V482 C486 V569 G570 S575 L576 | I137-I573 HydrophobicContact CD1-CG2 4.1Å; I137-I573 HydrophobicContact CG2-CG2 4.49Å; L478-I573 HydrophobicContact CD1-CD1 4.48Å; V482-I573 HydrophobicContact CG2-CD1 3.8Å; C486-I573 VanDerWaalsContact SG-CG2 3.53Å; V569-I573 HydrophobicContact CG1-CD1 3.94Å; V569-I573 HydrophobicContact CG1-CG1 4.43Å; V569-I573 WeakPolarHBondContact O-CG1 3.4Å; V569-I573 PolarHBondContact O-N 3.01Å; G570-I573 PolarHBondContact O-N 3.29Å; I573-S575 PolarHBondContact O-N 3.48Å; I573-L576 VanDerWaalsContact O-CB 3.3Å; I573-L576 WeakPolarHBondContact O-CB 3.37Å; I573-L576 WeakPolarHBondContact O-CG 3.32Å; I573-L576 PolarHBondContact O-N 2.85Å; I573-L576 VanDerWaalsContact O-N 3.09Å |
| 574 | A | 90 | Very high | 92.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.1 | -37.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | C486 G570 W571 L576 S577 L578 | C486-A574 HydrophobicContact CB-CB 4.49Å; G570-A574 WeakPolarHBondContact O-CB 3.31Å; G570-A574 PolarHBondContact O-N 3.37Å; W571-A574 HydrophobicContact CE3-CB 4.45Å; W571-A574 PolarHBondContact O-N 2.87Å; A574-L576 PolarHBondContact O-N 3.31Å; A574-S577 PolarHBondContact O-N 3.36Å; A574-L578 HydrophobicContact CB-CD1 4.4Å; A574-L578 PolarHBondContact O-N 3.4Å |
| 575 | S | 91.8 | Very high | 93.1 | Very high | 53 Ų | 53 | 50 Ų | 50 | 37% | 0.371 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.4 | -22.3 | 178.9 | 81.7 | 0 | 0 | 0 | 0 | 113.9 | W571 L572 I573 S577 G579 | W571-S575 VanDerWaalsContact O-CB 3.31Å; W571-S575 WeakPolarHBondContact O-CB 3.21Å; W571-S575 PolarHBondContact O-N 2.75Å; L572-S575 PolarHBondContact O-N 3.32Å; L572-S575 PolarHBondContact O-OG 3.03Å; I573-S575 PolarHBondContact O-N 3.48Å; S575-S577 PolarHBondContact O-N 3.02Å; S575-G579 VanDerWaalsContact O-CA 3.25Å; S575-G579 WeakPolarHBondContact O-CA 3.47Å; S575-G579 PolarHBondContact O-N 3.24Å |
| 576 | L | 93.8 | Very high | 93.2 | Very high | 103 Ų | 103 | 46.5 Ų | 46.5 | 54% | 0.539 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 175.3 | -62.6 | 177.1 | 0 | 0 | 0 | 111.5 | I133 I573 A574 | I133-L576 HydrophobicContact CG2-CB 4.27Å; I573-L576 VanDerWaalsContact O-CB 3.3Å; I573-L576 WeakPolarHBondContact O-CB 3.37Å; I573-L576 WeakPolarHBondContact O-CG 3.32Å; I573-L576 PolarHBondContact O-N 2.85Å; I573-L576 VanDerWaalsContact O-N 3.09Å; A574-L576 PolarHBondContact O-N 3.31Å |
| 577 | S | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -88.4 | -55.2 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | A130 T490 A574 S575 G579 M580 | A130-S577 VanDerWaalsContact CB-O 3.3Å; A130-S577 WeakPolarHBondContact CB-O 3.32Å; A130-S577 PolarHBondContact O-OG 2.97Å; T490-S577 VanDerWaalsContact CG2-OG 3.27Å; T490-S577 WeakPolarHBondContact CG2-OG 3.47Å; A574-S577 PolarHBondContact O-N 3.36Å; S575-S577 PolarHBondContact O-N 3.02Å; S577-G579 VanDerWaalsContact C-N 3.3Å; S577-G579 PolarHBondContact O-N 2.68Å; S577-M580 VanDerWaalsContact O-CB 3.32Å; S577-M580 WeakPolarHBondContact O-CB 3.47Å; S577-M580 PolarHBondContact O-N 3.45Å; S577-M580 VanDerWaalsContact O-N 3.13Å |
| 578 | L | 93.4 | Very high | 93.7 | Very high | 37 Ų | 37 | 53.7 Ų | 53.7 | 19% | 0.194 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58 | -41.6 | -177 | -79 | 169.9 | 0 | 0 | 0 | 112.5 | T490 V493 A574 M580 M581 P582 | T490-L578 HydrophobicContact CG2-CD2 4.24Å; T490-L578 HydrophobicContact CG2-CG 4.25Å; T490-L578 WeakPolarHBondContact OG1-CG 3.43Å; V493-L578 HydrophobicContact CB-CD2 4.17Å; V493-L578 HydrophobicContact CG1-CD2 4.32Å; V493-L578 HydrophobicContact CG2-CD2 4.22Å; A574-L578 HydrophobicContact CB-CD1 4.4Å; A574-L578 PolarHBondContact O-N 3.4Å; L578-M580 VanDerWaalsContact C-N 3.32Å; L578-M580 PolarHBondContact O-N 3.45Å; L578-M581 PolarHBondContact O-N 3.16Å; L578-P582 WeakPolarHBondContact O-CD 3.42Å |
| 579 | G | 93.9 | Very high | 94 | Very high | 25 Ų | 25 | 53.3 Ų | 53.3 | 26% | 0.258 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -26.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S575 S577 M581 P582 V583 | S575-G579 VanDerWaalsContact O-CA 3.25Å; S575-G579 WeakPolarHBondContact O-CA 3.47Å; S575-G579 PolarHBondContact O-N 3.24Å; S577-G579 VanDerWaalsContact C-N 3.3Å; S577-G579 PolarHBondContact O-N 2.68Å; G579-M581 PolarHBondContact O-N 3.45Å; G579-P582 VanDerWaalsContact O-CD 3.25Å; G579-P582 WeakPolarHBondContact O-CD 3.31Å; G579-P582 WeakPolarHBondContact O-CG 3.31Å; G579-V583 VanDerWaalsContact O-CB 3.25Å; G579-V583 WeakPolarHBondContact O-CB 3.42Å; G579-V583 WeakPolarHBondContact O-CG2 3.32Å; G579-V583 PolarHBondContact O-N 3.01Å; G579-V583 VanDerWaalsContact O-N 3.13Å |
| 580 | M | 94.9 | Very high | 94.1 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 31% | 0.31 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.9 | -34.7 | 176.8 | -178.5 | 60 | 72.9 | 0 | 0 | 111.6 | W129 A130 I133 S577 L578 Y584 | W129-M580 HydrophobicContact CB-CG 4.02Å; A130-M580 HydrophobicContact CB-CB 4.24Å; I133-M580 HydrophobicContact CD1-CB 4.43Å; I133-M580 HydrophobicContact CD1-CE 3.75Å; I133-M580 HydrophobicContact CD1-CG 4.44Å; S577-M580 VanDerWaalsContact O-CB 3.32Å; S577-M580 WeakPolarHBondContact O-CB 3.47Å; S577-M580 PolarHBondContact O-N 3.45Å; S577-M580 VanDerWaalsContact O-N 3.13Å; L578-M580 VanDerWaalsContact C-N 3.32Å; L578-M580 PolarHBondContact O-N 3.45Å; M580-Y584 WeakPolarHBondContact O-CB 3.38Å; M580-Y584 PolarHBondContact O-N 2.93Å |
| 581 | M | 95.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.02 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.9 | -63 | -178.8 | -53.9 | 171.6 | 171.9 | 0 | 0 | 112.6 | V127 A130 V493 I494 L497 L578 G579 V583 Y584 M585 | V127-M581 HydrophobicContact CG1-CE 4.34Å; V127-M581 HydrophobicContact CG2-CG 4.3Å; A130-M581 HydrophobicContact CB-CE 3.66Å; A130-M581 HydrophobicContact CB-CG 3.72Å; V493-M581 HydrophobicContact CG1-CE 4.29Å; V493-M581 HydrophobicContact CG1-SD 3.72Å; I494-M581 HydrophobicContact CB-CE 4.17Å; I494-M581 HydrophobicContact CD1-CE 4.16Å; I494-M581 HydrophobicContact CG1-CE 3.15Å; L497-M581 HydrophobicContact CD1-CB 4.3Å; L497-M581 HydrophobicContact CD1-CE 4.45Å; L497-M581 HydrophobicContact CD1-CG 4.34Å; L497-M581 HydrophobicContact CD1-SD 3.54Å; L497-M581 VanDerWaalsContact CD1-SD 3.54Å; L578-M581 PolarHBondContact O-N 3.16Å; G579-M581 PolarHBondContact O-N 3.45Å; M581-V583 PolarHBondContact O-N 2.92Å; M581-Y584 PolarHBondContact O-N 3.24Å; M581-M585 HydrophobicContact CB-CE 3.87Å; M581-M585 VanDerWaalsContact O-CG 3.27Å; M581-M585 WeakPolarHBondContact O-CG 3.49Å; M581-M585 PolarHBondContact O-N 3.15Å |
| 582 | P | 96.6 | Very high | 94.4 | Very high | 73 Ų | 73 | 56 Ų | 56 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.2 | -36 | -179.3 | 28 | -36 | 0 | 0 | 0 | 112.5 | L578 G579 Y584 M585 A586 | L578-P582 WeakPolarHBondContact O-CD 3.42Å; G579-P582 VanDerWaalsContact O-CD 3.25Å; G579-P582 WeakPolarHBondContact O-CD 3.31Å; G579-P582 WeakPolarHBondContact O-CG 3.31Å; P582-Y584 VanDerWaalsContact C-N 3.34Å; P582-Y584 PolarHBondContact O-N 2.96Å; P582-M585 PolarHBondContact O-N 2.92Å; P582-A586 WeakPolarHBondContact O-CB 3.36Å; P582-A586 PolarHBondContact O-N 3.03Å |
| 583 | V | 97.1 | Very high | 94.4 | Very high | 99 Ų | 99 | 54.9 Ų | 54.9 | 60% | 0.6 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.9 | -45.2 | 177.6 | 171 | 0 | 0 | 0 | 0 | 110.4 | G579 M581 A586 Y587 | G579-V583 VanDerWaalsContact O-CB 3.25Å; G579-V583 WeakPolarHBondContact O-CB 3.42Å; G579-V583 WeakPolarHBondContact O-CG2 3.32Å; G579-V583 PolarHBondContact O-N 3.01Å; G579-V583 VanDerWaalsContact O-N 3.13Å; M581-V583 PolarHBondContact O-N 2.92Å; V583-A586 PolarHBondContact O-N 3.17Å; V583-Y587 WeakPolarHBondContact O-CB 3.43Å; V583-Y587 PolarHBondContact O-N 3.09Å |
| 584 | Y | 96.8 | Very high | 94.2 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 18% | 0.176 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.2 | -40.6 | 177.2 | -167.3 | -84.4 | 0 | 0 | 0 | 112.3 | K125 G126 M580 M581 P582 A586 Y587 K588 | K125-Y584 HydrophobicContact CB-CD1 4.31Å; K125-Y584 HydrophobicContact CB-CE1 3.58Å; K125-Y584 HydrophobicContact CG-CE1 4.38Å; G126-Y584 VanDerWaalsContact N-CD1 3.32Å; M580-Y584 WeakPolarHBondContact O-CB 3.38Å; M580-Y584 PolarHBondContact O-N 2.93Å; M581-Y584 PolarHBondContact O-N 3.24Å; P582-Y584 VanDerWaalsContact C-N 3.34Å; P582-Y584 PolarHBondContact O-N 2.96Å; Y584-A586 VanDerWaalsContact C-N 3.34Å; Y584-A586 PolarHBondContact O-N 3.44Å; Y584-Y587 HydrophobicContact CD2-CD1 4.38Å; Y584-Y587 HydrophobicContact CE2-CD1 4.21Å; Y584-Y587 HydrophobicContact CE2-CE1 4.39Å; Y584-Y587 PolarHBondContact O-N 3.34Å; Y584-K588 HydrophobicContact CD1-CB 4.41Å; Y584-K588 HydrophobicContact CE1-CB 4.16Å; Y584-K588 HydrophobicContact CE1-CD 4.4Å; Y584-K588 HydrophobicContact CE1-CG 4.44Å; Y584-K588 VanDerWaalsContact O-CB 3.3Å; Y584-K588 WeakPolarHBondContact O-CB 3.34Å; Y584-K588 PolarHBondContact O-N 2.92Å |
| 585 | M | 96.8 | Very high | 94.1 | Very high | 40 Ų | 40 | 58.1 Ų | 58.1 | 20% | 0.197 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.9 | -47.2 | 175.7 | -71.4 | -176.9 | -131.4 | 0 | 0 | 111 | L123 F124 L497 M581 P582 K588 L589 | L123-M585 HydrophobicContact CD1-CB 4.03Å; L123-M585 HydrophobicContact CD1-CG 4.18Å; L123-M585 HydrophobicContact CG-CB 4.47Å; L123-M585 HydrophobicContact CG-CG 4.08Å; L123-M585 WeakPolarHBondContact O-CG 3.24Å; F124-M585 HydrophobicContact CD1-CE 3.86Å; F124-M585 HydrophobicContact CD1-CG 4.46Å; F124-M585 HydrophobicContact CD1-SD 4.09Å; F124-M585 HydrophobicContact CE1-CE 3.76Å; F124-M585 HydrophobicContact CE1-SD 3.74Å; L497-M585 HydrophobicContact CD1-CE 3.82Å; L497-M585 HydrophobicContact CD2-CE 4.48Å; M581-M585 HydrophobicContact CB-CE 3.87Å; M581-M585 VanDerWaalsContact O-CG 3.27Å; M581-M585 WeakPolarHBondContact O-CG 3.49Å; M581-M585 PolarHBondContact O-N 3.15Å; P582-M585 PolarHBondContact O-N 2.92Å; M585-K588 PolarHBondContact O-N 3.36Å; M585-L589 WeakPolarHBondContact O-CG 3.39Å; M585-L589 PolarHBondContact O-N 2.9Å |
| 586 | A | 96.2 | Very high | 94.1 | Very high | 54 Ų | 54 | 58.9 Ų | 58.9 | 45% | 0.446 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.6 | -49.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P582 V583 Y584 K588 L589 V590 | P582-A586 WeakPolarHBondContact O-CB 3.36Å; P582-A586 PolarHBondContact O-N 3.03Å; V583-A586 PolarHBondContact O-N 3.17Å; Y584-A586 VanDerWaalsContact C-N 3.34Å; Y584-A586 PolarHBondContact O-N 3.44Å; A586-K588 VanDerWaalsContact C-N 3.28Å; A586-K588 PolarHBondContact O-N 3.48Å; A586-L589 PolarHBondContact O-N 3.34Å; A586-V590 WeakPolarHBondContact O-CG2 3.36Å; A586-V590 PolarHBondContact O-N 3.36Å |
| 587 | Y | 96.6 | Very high | 94 | Very high | 127 Ų | 127 | 60.2 Ų | 60.2 | 50% | 0.498 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -52.9 | -47.2 | 174.9 | 163.2 | -102.1 | 0 | 0 | 0 | 111.6 | V583 Y584 L589 V590 V591 | V583-Y587 WeakPolarHBondContact O-CB 3.43Å; V583-Y587 PolarHBondContact O-N 3.09Å; Y584-Y587 HydrophobicContact CD2-CD1 4.38Å; Y584-Y587 HydrophobicContact CE2-CD1 4.21Å; Y584-Y587 HydrophobicContact CE2-CE1 4.39Å; Y584-Y587 PolarHBondContact O-N 3.34Å; Y587-L589 PolarHBondContact O-N 2.9Å; Y587-V590 PolarHBondContact O-N 3.34Å; Y587-V591 HydrophobicContact CD2-CG2 3.87Å; Y587-V591 HydrophobicContact CE2-CB 4.45Å; Y587-V591 HydrophobicContact CE2-CG2 3.52Å; Y587-V591 WeakPolarHBondContact O-CG2 3.25Å; Y587-V591 PolarHBondContact O-N 3.01Å |
| 588 | K | 94.6 | Very high | 94 | Very high | 58 Ų | 58 | 66.4 Ų | 66.4 | 25% | 0.252 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | -176.8 | -168.2 | 66.1 | -176.9 | 176.9 | 0 | 112.1 | Y584 M585 A586 T592 | Y584-K588 HydrophobicContact CD1-CB 4.41Å; Y584-K588 HydrophobicContact CE1-CB 4.16Å; Y584-K588 HydrophobicContact CE1-CD 4.4Å; Y584-K588 HydrophobicContact CE1-CG 4.44Å; Y584-K588 VanDerWaalsContact O-CB 3.3Å; Y584-K588 WeakPolarHBondContact O-CB 3.34Å; Y584-K588 PolarHBondContact O-N 2.92Å; M585-K588 PolarHBondContact O-N 3.36Å; A586-K588 VanDerWaalsContact C-N 3.28Å; A586-K588 PolarHBondContact O-N 3.48Å; K588-T592 VanDerWaalsContact O-CB 3.23Å; K588-T592 WeakPolarHBondContact O-CB 3.46Å; K588-T592 PolarHBondContact O-N 2.75Å; K588-T592 VanDerWaalsContact O-N 3.07Å; K588-T592 PolarHBondContact O-OG1 2.9Å |
| 589 | L | 95.2 | Very high | 93.9 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 16% | 0.162 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.7 | -33.3 | 176.2 | -72.9 | 167.6 | 0 | 0 | 0 | 112.8 | L123 M585 A586 Y587 F597 R600 L601 C604 | L123-L589 HydrophobicContact CD1-CD1 4.07Å; L123-L589 HydrophobicContact CD1-CD2 4.09Å; L123-L589 HydrophobicContact CD1-CG 3.77Å; M585-L589 WeakPolarHBondContact O-CG 3.39Å; M585-L589 PolarHBondContact O-N 2.9Å; A586-L589 PolarHBondContact O-N 3.34Å; Y587-L589 PolarHBondContact O-N 2.9Å; L589-F597 HydrophobicContact CD1-CE2 4.13Å; L589-F597 HydrophobicContact CD1-CZ 4.36Å; L589-F597 HydrophobicContact CD2-CE2 4.26Å; L589-R600 WeakPolarHBondContact O-CD 3.23Å; L589-L601 HydrophobicContact CD2-CB 4.34Å; L589-L601 HydrophobicContact CD2-CD1 4.1Å; L589-C604 HydrophobicContact CD2-CB 4.48Å |
| 590 | V | 94.2 | Very high | 93.9 | Very high | 109 Ų | 109 | 71.4 Ų | 71.4 | 66% | 0.661 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -73.8 | -45.1 | 178 | 172 | 0 | 0 | 0 | 0 | 111.6 | A586 Y587 | A586-V590 WeakPolarHBondContact O-CG2 3.36Å; A586-V590 PolarHBondContact O-N 3.36Å; Y587-V590 PolarHBondContact O-N 3.34Å |
| 591 | V | 93.7 | Very high | 93.9 | Very high | 85 Ų | 85 | 70.7 Ų | 70.7 | 52% | 0.515 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -80 | -23.1 | -174.8 | 174.6 | 0 | 0 | 0 | 0 | 112.9 | Y587 | Y587-V591 HydrophobicContact CD2-CG2 3.87Å; Y587-V591 HydrophobicContact CE2-CB 4.45Å; Y587-V591 HydrophobicContact CE2-CG2 3.52Å; Y587-V591 WeakPolarHBondContact O-CG2 3.25Å; Y587-V591 PolarHBondContact O-N 3.01Å |
| 592 | T | 92.7 | Very high | 93.7 | Very high | 16 Ų | 16 | 79.4 Ų | 79.4 | 10% | 0.098 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -71.5 | 126.3 | -178.3 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | K588 R600 R603 C604 | K588-T592 VanDerWaalsContact O-CB 3.23Å; K588-T592 WeakPolarHBondContact O-CB 3.46Å; K588-T592 PolarHBondContact O-N 2.75Å; K588-T592 VanDerWaalsContact O-N 3.07Å; K588-T592 PolarHBondContact O-OG1 2.9Å; T592-R600 VanDerWaalsContact O-CD 3.27Å; T592-R600 WeakPolarHBondContact O-CD 3.41Å; T592-R600 WeakPolarHBondContact O-CG 3.45Å; T592-R603 HydrophobicContact CG2-CB 3.99Å; T592-C604 PolarHBondContact OG1-SG 3.35Å |
| 593 | P | 91.6 | Very high | 93.5 | Very high | 92 Ų | 92 | 82.5 Ų | 82.5 | 60% | 0.597 | 43% | 0.426 | S | S | * | . | trans | -67.6 | 138.2 | 178.8 | 26.7 | -33.8 | 0 | 0 | 0 | 111.2 | R603 | P593-R603 WeakPolarHBondContact O-CD 3.29Å; P593-R603 PolarHBondContact O-NH1 3.11Å | ||
| 594 | G | 87.7 | Confident | 93.4 | Very high | 16 Ų | 16 | 77.8 Ų | 77.8 | 17% | 0.165 | 40% | 0.397 | C | S | . | . | trans | 174.4 | 142.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | R600 | G594-R600 PolarHBondContact O-NE 3.5Å; G594-R600 PolarHBondContact O-NH2 2.9Å; G594-R600 VanDerWaalsContact O-NH2 3.11Å | ||
| 595 | A | 88.5 | Confident | 93.3 | Very high | 91 Ų | 91 | 77 Ų | 77 | 75% | 0.752 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -71.1 | -37.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | E599 | A595-E599 PolarHBondContact N-OE2 2.64Š|
| 596 | T | 92.6 | Very high | 93.1 | Very high | 69 Ų | 69 | 78.4 Ų | 78.4 | 42% | 0.423 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -113.4 | 155.7 | 178.7 | 66.2 | 0 | 0 | 0 | 0 | 111.7 | M598 E599 R600 | T596-M598 PolarHBondContact O-N 2.95Å; T596-E599 PolarHBondContact O-N 3.26Å; T596-E599 WeakPolarHBondContact OG1-CG 3.5Å; T596-E599 PolarHBondContact OG1-N 3.07Å; T596-R600 WeakPolarHBondContact O-CG 3.43Å; T596-R600 PolarHBondContact O-N 3.01Å; T596-R600 VanDerWaalsContact O-N 3.16Å |
| 597 | F | 91.9 | Very high | 92.9 | Very high | 131 Ų | 131 | 77.6 Ų | 77.6 | 58% | 0.575 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -56.3 | -39.7 | 171.9 | 176.8 | -99.9 | 0 | 0 | 0 | 111.7 | L589 E599 R600 L601 | L589-F597 HydrophobicContact CD1-CE2 4.13Å; L589-F597 HydrophobicContact CD1-CZ 4.36Å; L589-F597 HydrophobicContact CD2-CE2 4.26Å; F597-E599 PolarHBondContact O-N 3.11Å; F597-R600 PolarHBondContact O-N 3.31Å; F597-L601 HydrophobicContact CE1-CB 4.43Å; F597-L601 HydrophobicContact CE1-CD2 4.11Å; F597-L601 WeakPolarHBondContact O-CB 3.27Å; F597-L601 PolarHBondContact O-N 2.98Å |
| 598 | M | 93.5 | Very high | 92.6 | Very high | 130 Ų | 130 | 74.1 Ų | 74.1 | 64% | 0.64 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.6 | -38.5 | 179.9 | -168.7 | 62.9 | 81.1 | 0 | 0 | 112.3 | T596 L601 R602 | T596-M598 PolarHBondContact O-N 2.95Å; M598-L601 PolarHBondContact O-N 3.33Å; M598-L601 HydrophobicContact SD-CD2 4.36Å; M598-R602 VanDerWaalsContact O-CB 3.29Å; M598-R602 WeakPolarHBondContact O-CB 3.45Å; M598-R602 PolarHBondContact O-N 3.49Å |
| 599 | E | 92 | Very high | 92.1 | Very high | 83 Ų | 83 | 80.7 Ų | 80.7 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 173 | -78.4 | 171.5 | -166.4 | 0 | 0 | 112.1 | A595 T596 F597 R602 R603 | A595-E599 PolarHBondContact N-OE2 2.64Å; T596-E599 PolarHBondContact O-N 3.26Å; T596-E599 WeakPolarHBondContact OG1-CG 3.5Å; T596-E599 PolarHBondContact OG1-N 3.07Å; F597-E599 PolarHBondContact O-N 3.11Å; E599-R602 PolarHBondContact O-N 3.49Å; E599-R603 WeakPolarHBondContact O-CB 3.24Å; E599-R603 VanDerWaalsContact O-CG 3.3Å; E599-R603 WeakPolarHBondContact O-CG 3.37Å; E599-R603 PolarHBondContact O-N 2.83Å |
| 600 | R | 93.6 | Very high | 91.7 | Very high | 83 Ų | 83 | 82.7 Ų | 82.7 | 31% | 0.313 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 177.3 | -63.2 | -178 | -166.8 | -175 | 2.3 | 110.7 | L589 T592 G594 T596 F597 R603 C604 | L589-R600 WeakPolarHBondContact O-CD 3.23Å; T592-R600 VanDerWaalsContact O-CD 3.27Å; T592-R600 WeakPolarHBondContact O-CD 3.41Å; T592-R600 WeakPolarHBondContact O-CG 3.45Å; G594-R600 PolarHBondContact O-NE 3.5Å; G594-R600 PolarHBondContact O-NH2 2.9Å; G594-R600 VanDerWaalsContact O-NH2 3.11Å; T596-R600 WeakPolarHBondContact O-CG 3.43Å; T596-R600 PolarHBondContact O-N 3.01Å; T596-R600 VanDerWaalsContact O-N 3.16Å; F597-R600 PolarHBondContact O-N 3.31Å; R600-R603 PolarHBondContact O-N 2.65Å; R600-C604 WeakPolarHBondContact O-CB 3.3Å; R600-C604 PolarHBondContact O-N 2.89Å; R600-C604 PolarHBondContact O-SG 2.95Å |
| 601 | L | 94 | Very high | 91.5 | Very high | 49 Ų | 49 | 77.9 Ų | 77.9 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59 | -51.3 | 177.2 | -178.8 | 61.7 | 0 | 0 | 0 | 110.8 | L123 L589 F597 M598 R603 C604 T605 | L123-L601 HydrophobicContact CD2-CD1 4.11Å; L589-L601 HydrophobicContact CD2-CB 4.34Å; L589-L601 HydrophobicContact CD2-CD1 4.1Å; F597-L601 HydrophobicContact CE1-CB 4.43Å; F597-L601 HydrophobicContact CE1-CD2 4.11Å; F597-L601 WeakPolarHBondContact O-CB 3.27Å; F597-L601 PolarHBondContact O-N 2.98Å; M598-L601 PolarHBondContact O-N 3.33Å; M598-L601 HydrophobicContact SD-CD2 4.36Å; L601-R603 VanDerWaalsContact C-N 3.31Å; L601-R603 PolarHBondContact O-N 3.31Å; L601-C604 CarbonylContact O-C 3.52Å; L601-C604 PolarHBondContact O-N 2.9Å; L601-T605 HydrophobicContact CD1-CG2 4.02Å; L601-T605 HydrophobicContact CG-CG2 4.47Å; L601-T605 WeakPolarHBondContact O-CG2 3.47Å; L601-T605 PolarHBondContact O-N 3.43Å; L601-T605 PolarHBondContact O-OG1 3.35Å; L601-T605 VanDerWaalsContact O-OG1 3.11Å |
| 602 | R | 92.6 | Very high | 91.4 | Very high | 186 Ų | 186 | 73.9 Ų | 73.9 | 70% | 0.702 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -57.4 | -42.4 | 177.9 | -174.1 | 177.8 | -179 | -179.1 | 1.6 | 112.1 | M598 E599 C604 T605 T606 | M598-R602 VanDerWaalsContact O-CB 3.29Å; M598-R602 WeakPolarHBondContact O-CB 3.45Å; M598-R602 PolarHBondContact O-N 3.49Å; E599-R602 PolarHBondContact O-N 3.49Å; R602-C604 VanDerWaalsContact C-N 3.32Å; R602-C604 PolarHBondContact O-N 2.86Å; R602-T605 PolarHBondContact O-N 2.79Å; R602-T605 PolarHBondContact O-OG1 2.92Å; R602-T606 WeakPolarHBondContact O-CB 3.42Å; R602-T606 PolarHBondContact O-N 2.95Å; R602-T606 VanDerWaalsContact O-N 3.16Å; R602-T606 PolarHBondContact O-OG1 3.4Å |
| 603 | R | 91.8 | Very high | 91.4 | Very high | 138 Ų | 138 | 73.2 Ų | 73.2 | 52% | 0.521 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.4 | -35.1 | 175.7 | -74.1 | 175.9 | -177.9 | -168.6 | -1.5 | 112.4 | T592 P593 E599 R600 L601 | T592-R603 HydrophobicContact CG2-CB 3.99Å; P593-R603 WeakPolarHBondContact O-CD 3.29Å; P593-R603 PolarHBondContact O-NH1 3.11Å; E599-R603 WeakPolarHBondContact O-CB 3.24Å; E599-R603 VanDerWaalsContact O-CG 3.3Å; E599-R603 WeakPolarHBondContact O-CG 3.37Å; E599-R603 PolarHBondContact O-N 2.83Å; R600-R603 PolarHBondContact O-N 2.65Å; L601-R603 VanDerWaalsContact C-N 3.31Å; L601-R603 PolarHBondContact O-N 3.31Å |
| 604 | C | 94.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.007 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -77.6 | -25.2 | 179.3 | -65.2 | 0 | 0 | 0 | 0 | 113.5 | P122 L123 L589 T592 R600 L601 R602 | P122-C604 WeakPolarHBondContact CD-O 3.49Å; L123-C604 HydrophobicContact CB-CB 3.98Å; L123-C604 WeakPolarHBondContact CB-O 3.36Å; L123-C604 HydrophobicContact CD1-CB 4.13Å; L123-C604 PolarHBondContact N-O 3.24Å; L589-C604 HydrophobicContact CD2-CB 4.48Å; T592-C604 PolarHBondContact OG1-SG 3.35Å; R600-C604 WeakPolarHBondContact O-CB 3.3Å; R600-C604 PolarHBondContact O-N 2.89Å; R600-C604 PolarHBondContact O-SG 2.95Å; L601-C604 CarbonylContact O-C 3.52Å; L601-C604 PolarHBondContact O-N 2.9Å; R602-C604 VanDerWaalsContact C-N 3.32Å; R602-C604 PolarHBondContact O-N 2.86Å |
| 605 | T | 94.4 | Very high | 91.2 | Very high | 27 Ų | 27 | 70.6 Ų | 70.6 | 17% | 0.166 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -94.4 | -5.6 | 178.3 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | L123 L505 L601 R602 | L123-T605 HydrophobicContact CD2-CG2 3.93Å; L505-T605 HydrophobicContact CD1-CG2 3.87Å; L505-T605 HydrophobicContact CD2-CG2 4.37Å; L601-T605 HydrophobicContact CD1-CG2 4.02Å; L601-T605 HydrophobicContact CG-CG2 4.47Å; L601-T605 WeakPolarHBondContact O-CG2 3.47Å; L601-T605 PolarHBondContact O-N 3.43Å; L601-T605 PolarHBondContact O-OG1 3.35Å; L601-T605 VanDerWaalsContact O-OG1 3.11Å; R602-T605 PolarHBondContact O-N 2.79Å; R602-T605 PolarHBondContact O-OG1 2.92Å |
| 606 | T | 92.6 | Very high | 91.1 | Very high | 70 Ų | 70 | 66.8 Ų | 66.8 | 43% | 0.429 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -92.5 | 141.1 | 177 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | P122 R602 T608 | P122-T606 VanDerWaalsContact CD-O 3.31Å; P122-T606 WeakPolarHBondContact CD-O 3.45Å; R602-T606 WeakPolarHBondContact O-CB 3.42Å; R602-T606 PolarHBondContact O-N 2.95Å; R602-T606 VanDerWaalsContact O-N 3.16Å; R602-T606 PolarHBondContact O-OG1 3.4Å; T606-T608 PolarHBondContact O-N 2.91Å |
| 607 | P | 92.4 | Very high | 90.9 | Very high | 37 Ų | 37 | 68.6 Ų | 68.6 | 24% | 0.24 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 136.7 | 172.9 | -25.2 | 31.6 | 0 | 0 | 0 | 112.8 | S119 I120 Y506 W611 | S119-P607 WeakPolarHBondContact O-CA 3.29Å; I120-P607 WeakPolarHBondContact O-CA 3.35Å; I120-P607 WeakPolarHBondContact O-CG 3.49Å; Y506-P607 HydrophobicContact CD2-CG 3.44Å; Y506-P607 VanDerWaalsContact CD2-CG 3.44Å; Y506-P607 HydrophobicContact CE2-CB 4.47Å; Y506-P607 HydrophobicContact CE2-CG 3.54Å; P607-W611 HydrophobicContact CB-CB 4Å; P607-W611 HydrophobicContact CB-CG 4.12Å |
| 608 | T | 90.2 | Very high | 90.8 | Very high | 54 Ų | 54 | 63.8 Ų | 63.8 | 33% | 0.331 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 164 | 172.9 | 64.5 | 0 | 0 | 0 | 0 | 111 | S119 P122 T606 T610 W611 | S119-T608 VanDerWaalsContact CB-OG1 3.23Å; S119-T608 WeakPolarHBondContact CB-OG1 3.4Å; S119-T608 PolarHBondContact O-N 3.44Å; S119-T608 PolarHBondContact O-OG1 3.29Å; S119-T608 VanDerWaalsContact O-OG1 3.12Å; P122-T608 HydrophobicContact CB-CG2 4.46Å; P122-T608 HydrophobicContact CG-CG2 3.23Å; T606-T608 PolarHBondContact O-N 2.91Å; T608-T610 PolarHBondContact O-N 3.49Å; T608-T610 PolarHBondContact OG1-N 3.26Å; T608-T610 PolarHBondContact OG1-OG1 3.32Å; T608-T610 VanDerWaalsContact OG1-OG1 3.04Å; T608-W611 WeakPolarHBondContact O-CB 3.27Å; T608-W611 PolarHBondContact O-N 2.88Å |
| 609 | K | 85.5 | Confident | 90.7 | Very high | 196 Ų | 196 | 60.4 Ų | 60.4 | 85% | 0.852 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17.5 | 172.9 | -63.4 | -174.3 | 179.9 | -176.8 | 0 | 113.5 | R619 | K609-R619 PolarHBondContact O-NH1 3.45Å; K609-R619 PolarHBondContact O-NH2 3.45Å |
| 610 | T | 85.2 | Confident | 90.6 | Very high | 74 Ų | 74 | 61.5 Ų | 61.5 | 45% | 0.454 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -2 | 178.9 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | R112 S119 T608 | R112-T610 PolarHBondContact NH1-O 2.94Å; R112-T610 VanDerWaalsContact NH1-O 3.16Å; R112-T610 PolarHBondContact NH2-O 3.48Å; S119-T610 WeakPolarHBondContact CB-OG1 3.3Å; T608-T610 PolarHBondContact O-N 3.49Å; T608-T610 PolarHBondContact OG1-N 3.26Å; T608-T610 PolarHBondContact OG1-OG1 3.32Å; T608-T610 VanDerWaalsContact OG1-OG1 3.04Å |
| 611 | W | 91.3 | Very high | 90.5 | Very high | 8 Ų | 8 | 63.6 Ų | 63.6 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | trans | -64.8 | 153.5 | 170.4 | 178.3 | -112.9 | 0 | 0 | 0 | 111 | V106 F109 T110 M117 I120 Y506 P607 T608 R619 | V106-W611 HydrophobicContact CG1-CH2 4.34Å; F109-W611 HydrophobicContact CD1-CH2 4.45Å; F109-W611 HydrophobicContact CD1-CZ2 4.17Å; F109-W611 HydrophobicContact CE1-CZ2 4.03Å; T110-W611 HydrophobicContact CG2-CE3 4Å; T110-W611 HydrophobicContact CG2-CH2 3.55Å; T110-W611 HydrophobicContact CG2-CZ2 4.49Å; T110-W611 HydrophobicContact CG2-CZ3 3.25Å; M117-W611 WeakPolarHBondContact O-CZ3 3.46Å; I120-W611 HydrophobicContact CB-CD2 3.77Å; I120-W611 HydrophobicContact CB-CE3 3.52Å; I120-W611 HydrophobicContact CB-CH2 3.84Å; I120-W611 HydrophobicContact CB-CZ2 4.11Å; I120-W611 HydrophobicContact CB-CZ3 3.54Å; I120-W611 HydrophobicContact CD1-CD2 4.48Å; I120-W611 HydrophobicContact CD1-CH2 3.58Å; I120-W611 HydrophobicContact CD1-CZ2 3.4Å; I120-W611 VanDerWaalsContact CD1-CZ2 3.4Å; I120-W611 HydrophobicContact CD1-CZ3 4.22Å; I120-W611 HydrophobicContact CG1-CD2 4.3Å; I120-W611 HydrophobicContact CG1-CE3 4.46Å; I120-W611 HydrophobicContact CG1-CH2 4.23Å; I120-W611 HydrophobicContact CG1-CZ2 4.11Å; I120-W611 HydrophobicContact CG1-CZ3 4.4Å; I120-W611 HydrophobicContact CG2-CE3 4.41Å; I120-W611 HydrophobicContact CG2-CH2 4.43Å; I120-W611 HydrophobicContact CG2-CZ3 4.07Å; Y506-W611 HydrophobicContact CE1-CZ2 4.45Å; Y506-W611 AromaticContact CE2-NE1 3.61Å; Y506-W611 AromaticContact CZ-NE1 3.32Å; Y506-W611 VanDerWaalsContact CZ-NE1 3.32Å; Y506-W611 PolarHBondContact OH-NE1 2.9Å; P607-W611 HydrophobicContact CB-CB 4Å; P607-W611 HydrophobicContact CB-CG 4.12Å; T608-W611 WeakPolarHBondContact O-CB 3.27Å; T608-W611 PolarHBondContact O-N 2.88Å; W611-R619 PolarHBondContact O-NH1 3.49Å; W611-R619 PolarHBondContact O-NH2 2.83Å | ||
| 612 | G | 91.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 108.6 | -174 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 613 | P | 92.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | trans | -58.9 | 138.8 | -179.5 | -23.6 | 34.2 | 0 | 0 | 0 | 112.2 | F109 F342 T618 R619 W622 | F109-P613 HydrophobicContact CE2-CG 3.97Å; F109-P613 HydrophobicContact CZ-CG 4.03Å; F109-P613 WeakPolarHBondContact O-CA 3.38Å; F342-P613 HydrophobicContact CE2-CB 3.85Å; F342-P613 HydrophobicContact CE2-CG 3.79Å; F342-P613 HydrophobicContact CZ-CB 4.33Å; F342-P613 HydrophobicContact CZ-CG 3.88Å; P613-T618 HydrophobicContact CB-CG2 3.86Å; P613-T618 HydrophobicContact CG-CG2 4.03Å; P613-R619 HydrophobicContact CB-CB 4.36Å; P613-W622 HydrophobicContact CG-CB 4.14Å; P613-W622 HydrophobicContact CG-CD2 4.49Å; P613-W622 HydrophobicContact CG-CG 4.26Å | ||
| 614 | S | 87 | Confident | 90.4 | Very high | 18 Ų | 18 | 56.1 Ų | 56.1 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -70.6 | -36.2 | 177.8 | -170.1 | 0 | 0 | 0 | 0 | 112.3 | T110 | T110-S614 VanDerWaalsContact O-CB 3.32Å; T110-S614 WeakPolarHBondContact O-CB 3.33Å; T110-S614 PolarHBondContact O-N 3.2Å |
| 615 | N | 88.7 | Confident | 90.1 | Very high | 36 Ų | 36 | 59.4 Ų | 59.4 | 19% | 0.193 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -69.2 | 122.3 | 177.3 | -174.8 | -75.4 | 0 | 0 | 0 | 110.2 | D43 E617 T618 R619 | D43-N615 PolarHBondContact OD2-ND2 3.11Å; D43-N615 VanDerWaalsContact OD2-ND2 3.08Å; N615-E617 VanDerWaalsContact C-N 3.34Å; N615-E617 PolarHBondContact O-N 3.16Å; N615-E617 WeakPolarHBondContact OD1-CB 3.46Å; N615-E617 PolarHBondContact OD1-N 3.5Å; N615-E617 VanDerWaalsContact OD1-N 3.11Å; N615-T618 PolarHBondContact O-N 3.24Å; N615-T618 PolarHBondContact OD1-N 2.88Å; N615-R619 WeakPolarHBondContact O-CB 3.49Å; N615-R619 PolarHBondContact O-N 2.75Å |
| 616 | P | 86.1 | Confident | 89.8 | Confident | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.071 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69 | -29.7 | -170.2 | 28 | -36.2 | 0 | 0 | 0 | 113.5 | F36 A39 L40 R619 M620 | F36-P616 HydrophobicContact CD1-CG 4.38Å; F36-P616 HydrophobicContact CD2-CB 3.39Å; F36-P616 HydrophobicContact CD2-CG 3.64Å; F36-P616 HydrophobicContact CE1-CG 4.2Å; F36-P616 HydrophobicContact CE2-CB 3.47Å; F36-P616 VanDerWaalsContact CE2-CB 3.47Å; F36-P616 HydrophobicContact CE2-CG 3.43Å; F36-P616 VanDerWaalsContact CE2-CG 3.43Å; F36-P616 HydrophobicContact CG-CB 4.15Å; F36-P616 HydrophobicContact CG-CG 4.1Å; F36-P616 HydrophobicContact CZ-CB 4.29Å; F36-P616 HydrophobicContact CZ-CG 3.72Å; A39-P616 HydrophobicContact CB-CB 4.39Å; A39-P616 HydrophobicContact CB-CG 4.37Å; L40-P616 HydrophobicContact CB-CG 4.45Å; P616-R619 PolarHBondContact O-N 3.21Å; P616-M620 WeakPolarHBondContact O-CG 3.43Å; P616-M620 PolarHBondContact O-N 2.8Å; P616-M620 VanDerWaalsContact O-N 3.07Å |
| 617 | E | 87.9 | Confident | 89.5 | Confident | 106 Ų | 106 | 62.3 Ų | 62.3 | 50% | 0.495 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.1 | -46.2 | 175.8 | -63.5 | 179 | -170.1 | 0 | 0 | 111.6 | F36 N615 R619 M620 K621 | F36-E617 HydrophobicContact CE2-CG 4.28Å; F36-E617 HydrophobicContact CZ-CG 4.09Å; N615-E617 VanDerWaalsContact C-N 3.34Å; N615-E617 PolarHBondContact O-N 3.16Å; N615-E617 WeakPolarHBondContact OD1-CB 3.46Å; N615-E617 PolarHBondContact OD1-N 3.5Å; N615-E617 VanDerWaalsContact OD1-N 3.11Å; E617-R619 VanDerWaalsContact C-N 3.27Å; E617-R619 PolarHBondContact O-N 3.33Å; E617-M620 PolarHBondContact O-N 3.14Å; E617-K621 PolarHBondContact O-N 3.45Å |
| 618 | T | 91.1 | Very high | 89.1 | Confident | 31 Ų | 31 | 63.6 Ų | 63.6 | 19% | 0.19 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 174.8 | -60.5 | 0 | 0 | 0 | 0 | 111 | F342 F517 P613 N615 K621 W622 | F342-T618 HydrophobicContact CD1-CG2 3.6Å; F342-T618 HydrophobicContact CD2-CG2 4.11Å; F342-T618 HydrophobicContact CE1-CG2 3.32Å; F342-T618 HydrophobicContact CE2-CG2 3.87Å; F342-T618 HydrophobicContact CG-CG2 3.98Å; F342-T618 HydrophobicContact CZ-CG2 3.48Å; F342-T618 VanDerWaalsContact CZ-CG2 3.48Å; F517-T618 HydrophobicContact CE1-CG2 4.09Å; P613-T618 HydrophobicContact CB-CG2 3.86Å; P613-T618 HydrophobicContact CG-CG2 4.03Å; N615-T618 PolarHBondContact O-N 3.24Å; N615-T618 PolarHBondContact OD1-N 2.88Å; T618-K621 PolarHBondContact O-N 2.82Å; T618-W622 WeakPolarHBondContact O-CB 3.38Å; T618-W622 PolarHBondContact O-N 3.27Å |
| 619 | R | 90.8 | Very high | 88.5 | Confident | 58 Ų | 58 | 62.3 Ų | 62.3 | 22% | 0.219 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 177.9 | -177.4 | -178.4 | 171.2 | 114.1 | 15 | 112.3 | K609 W611 P613 N615 P616 E617 K621 W622 E623 | K609-R619 PolarHBondContact O-NH1 3.45Å; K609-R619 PolarHBondContact O-NH2 3.45Å; W611-R619 PolarHBondContact O-NH1 3.49Å; W611-R619 PolarHBondContact O-NH2 2.83Å; P613-R619 HydrophobicContact CB-CB 4.36Å; N615-R619 WeakPolarHBondContact O-CB 3.49Å; N615-R619 PolarHBondContact O-N 2.75Å; P616-R619 PolarHBondContact O-N 3.21Å; E617-R619 VanDerWaalsContact C-N 3.27Å; E617-R619 PolarHBondContact O-N 3.33Å; R619-K621 VanDerWaalsContact C-N 3.32Å; R619-K621 PolarHBondContact O-N 3.5Å; R619-W622 PolarHBondContact O-N 2.96Å; R619-E623 HydrophobicContact CG-CG 4.41Å; R619-E623 IonicContact CZ-OE1 3.11Å; R619-E623 IonicContact NE-OE1 3.56Å; R619-E623 PolarHBondContact NE-OE1 2.94Å; R619-E623 IonicContact NH2-OE1 3.12Å; R619-E623 PolarHBondContact NH2-OE1 3.1Å; R619-E623 WeakPolarHBondContact O-CG 3.34Å; R619-E623 PolarHBondContact O-N 3.42Å |
| 620 | M | 89.3 | Confident | 88.1 | Confident | 106 Ų | 106 | 57.6 Ų | 57.6 | 52% | 0.522 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 176.7 | -73.2 | -175.4 | -67.6 | 0 | 0 | 111.8 | F36 P616 E617 W622 E623 E624 | F36-M620 HydrophobicContact CE2-CE 4.07Å; P616-M620 WeakPolarHBondContact O-CG 3.43Å; P616-M620 PolarHBondContact O-N 2.8Å; P616-M620 VanDerWaalsContact O-N 3.07Å; E617-M620 PolarHBondContact O-N 3.14Å; M620-W622 VanDerWaalsContact C-N 3.34Å; M620-W622 PolarHBondContact O-N 3.41Å; M620-E623 PolarHBondContact O-N 2.98Å; M620-E624 PolarHBondContact O-N 3.47Å |
| 621 | K | 92.6 | Very high | 87.7 | Confident | 127 Ų | 127 | 61.3 Ų | 61.3 | 55% | 0.552 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.5 | -37.8 | 176.9 | -67.2 | 174.3 | -177.8 | 171.8 | 0 | 112.6 | F517 E617 T618 R619 F625 | F517-K621 HydrophobicContact CE2-CB 4.27Å; F517-K621 HydrophobicContact CZ-CB 3.89Å; E617-K621 PolarHBondContact O-N 3.45Å; T618-K621 PolarHBondContact O-N 2.82Å; R619-K621 VanDerWaalsContact C-N 3.32Å; R619-K621 PolarHBondContact O-N 3.5Å; K621-F625 WeakPolarHBondContact O-CB 3.49Å; K621-F625 PolarHBondContact O-N 2.89Å |
| 622 | W | 94 | Very high | 87 | Confident | 16 Ų | 16 | 67 Ų | 67 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.3 | -43 | 176.2 | 171.6 | 72.6 | 0 | 0 | 0 | 111.9 | F109 D514 F517 P613 T618 R619 M620 E624 F625 Q626 | F109-W622 HydrophobicContact CZ-CD2 4.24Å; F109-W622 AromaticContact CZ-CE2 3.76Å; F109-W622 HydrophobicContact CZ-CG 4.39Å; F109-W622 HydrophobicContact CZ-CZ2 4.16Å; F109-W622 AromaticContact CZ-NE1 3.61Å; D514-W622 PolarHBondContact OD1-NE1 2.99Å; F517-W622 HydrophobicContact CD1-CB 4.06Å; F517-W622 AromaticContact CD1-CD1 3.82Å; F517-W622 HydrophobicContact CD1-CG 4.31Å; F517-W622 HydrophobicContact CE1-CB 3.56Å; F517-W622 HydrophobicContact CE1-CG 4.27Å; F517-W622 HydrophobicContact CE2-CB 4.39Å; F517-W622 HydrophobicContact CZ-CB 3.74Å; P613-W622 HydrophobicContact CG-CB 4.14Å; P613-W622 HydrophobicContact CG-CD2 4.49Å; P613-W622 HydrophobicContact CG-CG 4.26Å; T618-W622 WeakPolarHBondContact O-CB 3.38Å; T618-W622 PolarHBondContact O-N 3.27Å; R619-W622 PolarHBondContact O-N 2.96Å; M620-W622 VanDerWaalsContact C-N 3.34Å; M620-W622 PolarHBondContact O-N 3.41Å; W622-E624 VanDerWaalsContact C-N 3.28Å; W622-E624 PolarHBondContact O-N 3.03Å; W622-F625 WeakPolarHBondContact O-CB 3.31Å; W622-F625 PolarHBondContact O-N 2.77Å; W622-Q626 HydrophobicContact CD2-CG 4.23Å; W622-Q626 HydrophobicContact CZ2-CG 3.97Å; W622-Q626 WeakPolarHBondContact O-CG 3.36Å; W622-Q626 PolarHBondContact O-N 2.78Å |
| 623 | E | 90.2 | Very high | 86.2 | Confident | 68 Ų | 68 | 73.7 Ų | 73.7 | 32% | 0.318 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 176.3 | -72.5 | 177.2 | -178.3 | 0 | 0 | 111.4 | R619 M620 K627 | R619-E623 HydrophobicContact CG-CG 4.41Å; R619-E623 IonicContact CZ-OE1 3.11Å; R619-E623 IonicContact NE-OE1 3.56Å; R619-E623 PolarHBondContact NE-OE1 2.94Å; R619-E623 IonicContact NH2-OE1 3.12Å; R619-E623 PolarHBondContact NH2-OE1 3.1Å; R619-E623 WeakPolarHBondContact O-CG 3.34Å; R619-E623 PolarHBondContact O-N 3.42Å; M620-E623 PolarHBondContact O-N 2.98Å; E623-K627 VanDerWaalsContact O-CG 3.31Å; E623-K627 WeakPolarHBondContact O-CG 3.43Å; E623-K627 PolarHBondContact O-N 3.1Å; E623-K627 VanDerWaalsContact O-N 3.17Å |
| 624 | E | 90.1 | Very high | 85.5 | Confident | 132 Ų | 132 | 76.8 Ų | 76.8 | 62% | 0.617 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.9 | -48.2 | 171.2 | -173.8 | 175.2 | -162.9 | 0 | 0 | 111.7 | M620 W622 Q626 K627 T628 | M620-E624 PolarHBondContact O-N 3.47Å; W622-E624 VanDerWaalsContact C-N 3.28Å; W622-E624 PolarHBondContact O-N 3.03Å; E624-Q626 VanDerWaalsContact C-N 3.33Å; E624-Q626 PolarHBondContact O-N 2.93Å; E624-K627 PolarHBondContact O-N 2.68Å; E624-K627 VanDerWaalsContact O-N 3.15Å; E624-T628 PolarHBondContact O-N 2.87Å; E624-T628 PolarHBondContact O-OG1 2.89Å; E624-T628 VanDerWaalsContact O-OG1 3.09Å |
| 625 | F | 89.9 | Confident | 84.9 | Confident | 71 Ų | 71 | 79.8 Ų | 79.8 | 31% | 0.311 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.5 | -44.3 | 176.8 | 171.5 | -101.8 | 0 | 0 | 0 | 112.6 | S513 F517 K621 W622 T628 A629 | S513-F625 WeakPolarHBondContact OG-CE1 3.35Å; F517-F625 HydrophobicContact CB-CD1 3.88Å; F517-F625 HydrophobicContact CB-CE1 3.8Å; F517-F625 HydrophobicContact CB-CG 4.46Å; F517-F625 HydrophobicContact CB-CZ 4.32Å; F517-F625 HydrophobicContact CD2-CB 3.77Å; F517-F625 AromaticContact CD2-CD1 3.86Å; F517-F625 HydrophobicContact CD2-CD1 3.86Å; F517-F625 HydrophobicContact CD2-CD2 4.17Å; F517-F625 AromaticContact CD2-CG 3.66Å; F517-F625 HydrophobicContact CD2-CG 3.66Å; F517-F625 HydrophobicContact CE2-CB 3.98Å; F517-F625 HydrophobicContact CE2-CG 4.37Å; F517-F625 HydrophobicContact CG-CD1 4.12Å; F517-F625 HydrophobicContact CG-CG 4.39Å; K621-F625 WeakPolarHBondContact O-CB 3.49Å; K621-F625 PolarHBondContact O-N 2.89Å; W622-F625 WeakPolarHBondContact O-CB 3.31Å; W622-F625 PolarHBondContact O-N 2.77Å; F625-T628 PolarHBondContact O-N 3.17Å; F625-A629 WeakPolarHBondContact O-CB 3.33Å; F625-A629 PolarHBondContact O-N 2.81Å |
| 626 | Q | 87.2 | Confident | 84.3 | Confident | 17 Ų | 17 | 84.8 Ų | 84.8 | 8% | 0.079 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 176.3 | -69.7 | -77.5 | -59.6 | 0 | 0 | 111.5 | D514 W622 E624 T628 A629 E630 | D514-Q626 PolarHBondContact OD1-NE2 2.86Å; W622-Q626 HydrophobicContact CD2-CG 4.23Å; W622-Q626 HydrophobicContact CZ2-CG 3.97Å; W622-Q626 WeakPolarHBondContact O-CG 3.36Å; W622-Q626 PolarHBondContact O-N 2.78Å; E624-Q626 VanDerWaalsContact C-N 3.33Å; E624-Q626 PolarHBondContact O-N 2.93Å; Q626-T628 VanDerWaalsContact C-N 3.34Å; Q626-T628 PolarHBondContact O-N 2.92Å; Q626-A629 PolarHBondContact O-N 3.37Å; Q626-E630 WeakPolarHBondContact O-CG 3.44Å; Q626-E630 PolarHBondContact O-N 3.43Å |
| 627 | K | 86.5 | Confident | 83.8 | Confident | 141 Ų | 141 | 90.1 Ų | 90.1 | 61% | 0.613 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.8 | -40.7 | 176.9 | -73.2 | 172.6 | -174.5 | 175.2 | 0 | 112 | E623 E624 Y631 | E623-K627 VanDerWaalsContact O-CG 3.31Å; E623-K627 WeakPolarHBondContact O-CG 3.43Å; E623-K627 PolarHBondContact O-N 3.1Å; E623-K627 VanDerWaalsContact O-N 3.17Å; E624-K627 PolarHBondContact O-N 2.68Å; E624-K627 VanDerWaalsContact O-N 3.15Å; K627-Y631 VanDerWaalsContact O-CB 3.27Å; K627-Y631 WeakPolarHBondContact O-CB 3.33Å; K627-Y631 PolarHBondContact O-N 2.93Å |
| 628 | T | 83.3 | Confident | 83.5 | Confident | 64 Ų | 64 | 93.1 Ų | 93.1 | 39% | 0.393 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 176 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | E624 F625 Q626 Y631 Q632 | E624-T628 PolarHBondContact O-N 2.87Å; E624-T628 PolarHBondContact O-OG1 2.89Å; E624-T628 VanDerWaalsContact O-OG1 3.09Å; F625-T628 PolarHBondContact O-N 3.17Å; Q626-T628 VanDerWaalsContact C-N 3.34Å; Q626-T628 PolarHBondContact O-N 2.92Å; T628-Y631 PolarHBondContact O-N 2.99Å; T628-Q632 WeakPolarHBondContact O-CG 3.45Å; T628-Q632 PolarHBondContact O-N 3.12Å |
| 629 | A | 77.5 | Confident | 82.9 | Confident | 27 Ų | 27 | 94.7 Ų | 94.7 | 22% | 0.223 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | F625 Q626 Y631 Q632 Q633 | F625-A629 WeakPolarHBondContact O-CB 3.33Å; F625-A629 PolarHBondContact O-N 2.81Å; Q626-A629 PolarHBondContact O-N 3.37Å; A629-Y631 VanDerWaalsContact C-N 3.34Å; A629-Y631 PolarHBondContact O-N 3.28Å; A629-Q632 PolarHBondContact O-N 2.93Å; A629-Q633 WeakPolarHBondContact O-CG 3.38Å; A629-Q633 PolarHBondContact O-N 3.46Å |
| 630 | E | 76.8 | Confident | 82.2 | Confident | 97 Ų | 97 | 95.6 Ų | 95.6 | 45% | 0.453 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 175 | -72.9 | 176.8 | -177.2 | 0 | 0 | 111.8 | Q626 Q633 T634 | Q626-E630 WeakPolarHBondContact O-CG 3.44Å; Q626-E630 PolarHBondContact O-N 3.43Å; E630-Q633 PolarHBondContact O-N 3.5Å; E630-T634 WeakPolarHBondContact O-CB 3.45Å; E630-T634 PolarHBondContact O-N 2.92Å; E630-T634 PolarHBondContact O-OG1 2.97Å |
| 631 | Y | 78.3 | Confident | 81.8 | Confident | 152 Ų | 152 | 94.2 Ų | 94.2 | 60% | 0.596 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.4 | -42.8 | 176.6 | -178.2 | -107.8 | 0 | 0 | 0 | 112.2 | K627 T628 A629 T634 L635 | K627-Y631 VanDerWaalsContact O-CB 3.27Å; K627-Y631 WeakPolarHBondContact O-CB 3.33Å; K627-Y631 PolarHBondContact O-N 2.93Å; T628-Y631 PolarHBondContact O-N 2.99Å; A629-Y631 VanDerWaalsContact C-N 3.34Å; A629-Y631 PolarHBondContact O-N 3.28Å; Y631-T634 WeakPolarHBondContact O-CB 3.4Å; Y631-T634 PolarHBondContact O-N 3.44Å; Y631-L635 HydrophobicContact CD1-CD1 3.73Å; Y631-L635 HydrophobicContact CD1-CG 4.36Å; Y631-L635 HydrophobicContact CE1-CD1 3.22Å; Y631-L635 HydrophobicContact CE1-CG 3.95Å; Y631-L635 HydrophobicContact CE2-CD1 4.5Å; Y631-L635 HydrophobicContact CE2-CG 4.38Å; Y631-L635 PolarHBondContact O-N 3.46Å |
| 632 | Q | 76.7 | Confident | 81 | Confident | 126 Ų | 126 | 95.1 Ų | 95.1 | 59% | 0.589 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.1 | -41.2 | 175.7 | -76 | -179 | -5.8 | 0 | 0 | 112.2 | T628 A629 T634 L635 K636 | T628-Q632 WeakPolarHBondContact O-CG 3.45Å; T628-Q632 PolarHBondContact O-N 3.12Å; A629-Q632 PolarHBondContact O-N 2.93Å; Q632-T634 VanDerWaalsContact C-N 3.34Å; Q632-L635 PolarHBondContact O-N 2.82Å; Q632-K636 WeakPolarHBondContact O-CB 3.36Å; Q632-K636 PolarHBondContact O-N 2.88Å |
| 633 | Q | 74.1 | Confident | 80.1 | Confident | 142 Ų | 142 | 97.6 Ų | 97.6 | 66% | 0.664 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 174 | -73.9 | 179.5 | -2 | 0 | 0 | 111.5 | A629 E630 K636 F637 | A629-Q633 WeakPolarHBondContact O-CG 3.38Å; A629-Q633 PolarHBondContact O-N 3.46Å; E630-Q633 PolarHBondContact O-N 3.5Å; Q633-K636 PolarHBondContact O-N 3.24Å; Q633-F637 WeakPolarHBondContact O-CB 3.33Å; Q633-F637 PolarHBondContact O-N 3.21Å |
| 634 | T | 76.2 | Confident | 79.3 | Confident | 67 Ų | 67 | 100.7 Ų | 100.7 | 41% | 0.411 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 177.1 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | E630 Y631 Q632 F637 R638 | E630-T634 WeakPolarHBondContact O-CB 3.45Å; E630-T634 PolarHBondContact O-N 2.92Å; E630-T634 PolarHBondContact O-OG1 2.97Å; Y631-T634 WeakPolarHBondContact O-CB 3.4Å; Y631-T634 PolarHBondContact O-N 3.44Å; Q632-T634 VanDerWaalsContact C-N 3.34Å; T634-F637 PolarHBondContact O-N 2.93Å; T634-R638 WeakPolarHBondContact O-CB 3.36Å; T634-R638 WeakPolarHBondContact O-CG 3.3Å; T634-R638 PolarHBondContact O-N 2.93Å |
| 635 | L | 74.6 | Confident | 78.6 | Confident | 80 Ų | 80 | 102.6 Ų | 102.6 | 42% | 0.419 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 174.9 | -83.4 | 173.3 | 0 | 0 | 0 | 111.7 | Y631 Q632 F637 R638 C639 | Y631-L635 HydrophobicContact CD1-CD1 3.73Å; Y631-L635 HydrophobicContact CD1-CG 4.36Å; Y631-L635 HydrophobicContact CE1-CD1 3.22Å; Y631-L635 HydrophobicContact CE1-CG 3.95Å; Y631-L635 HydrophobicContact CE2-CD1 4.5Å; Y631-L635 HydrophobicContact CE2-CG 4.38Å; Y631-L635 PolarHBondContact O-N 3.46Å; Q632-L635 PolarHBondContact O-N 2.82Å; L635-F637 PolarHBondContact O-N 2.94Å; L635-R638 PolarHBondContact O-N 2.83Å; L635-C639 WeakPolarHBondContact O-CB 3.39Å; L635-C639 PolarHBondContact O-N 3.25Å |
| 636 | K | 76 | Confident | 77.6 | Confident | 142 Ų | 142 | 102.9 Ų | 102.9 | 62% | 0.617 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.1 | -47.3 | 177.5 | -170.1 | 177.7 | -178.9 | -177.8 | 0 | 111 | Q632 Q633 R638 C639 D640 | Q632-K636 WeakPolarHBondContact O-CB 3.36Å; Q632-K636 PolarHBondContact O-N 2.88Å; Q633-K636 PolarHBondContact O-N 3.24Å; K636-R638 PolarHBondContact O-N 3.44Å; K636-C639 WeakPolarHBondContact O-CB 3.47Å; K636-C639 PolarHBondContact O-N 2.9Å; K636-C639 VanDerWaalsContact O-N 3.14Å; K636-D640 VanDerWaalsContact O-CG 3.27Å; K636-D640 PolarHBondContact O-N 3.28Å |
| 637 | F | 77.4 | Confident | 76.5 | Confident | 123 Ų | 123 | 107 Ų | 107 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 175.9 | -179.1 | -101.4 | 0 | 0 | 0 | 112.7 | Q633 T634 L635 C639 D640 Q641 | Q633-F637 WeakPolarHBondContact O-CB 3.33Å; Q633-F637 PolarHBondContact O-N 3.21Å; T634-F637 PolarHBondContact O-N 2.93Å; L635-F637 PolarHBondContact O-N 2.94Å; F637-C639 VanDerWaalsContact C-N 3.34Å; F637-D640 PolarHBondContact O-N 3.47Å; F637-Q641 HydrophobicContact CD1-CG 4.47Å; F637-Q641 VanDerWaalsContact CE1-CD 3.46Å; F637-Q641 HydrophobicContact CE1-CG 4.16Å; F637-Q641 HydrophobicContact CZ-CG 4.25Å; F637-Q641 WeakPolarHBondContact O-CB 3.33Å; F637-Q641 WeakPolarHBondContact O-CG 3.35Å; F637-Q641 PolarHBondContact O-N 3.05Å |
| 638 | R | 80.8 | Confident | 75.3 | Confident | 168 Ų | 168 | 107.5 Ų | 107.5 | 63% | 0.634 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.3 | -37.3 | 174.9 | -74.9 | -179.9 | 178.5 | -165.3 | 0.5 | 112.4 | T634 L635 K636 W642 | T634-R638 WeakPolarHBondContact O-CB 3.36Å; T634-R638 WeakPolarHBondContact O-CG 3.3Å; T634-R638 PolarHBondContact O-N 2.93Å; L635-R638 PolarHBondContact O-N 2.83Å; K636-R638 PolarHBondContact O-N 3.44Å; R638-W642 VanDerWaalsContact O-CB 3.3Å; R638-W642 WeakPolarHBondContact O-CB 3.44Å; R638-W642 PolarHBondContact O-N 3.45Å |
| 639 | C | 77.9 | Confident | 74.1 | Confident | 64 Ų | 64 | 109.5 Ų | 109.5 | 43% | 0.432 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 176.5 | -155.2 | 0 | 0 | 0 | 0 | 110.6 | L635 K636 F637 Q641 W642 I643 | L635-C639 WeakPolarHBondContact O-CB 3.39Å; L635-C639 PolarHBondContact O-N 3.25Å; K636-C639 WeakPolarHBondContact O-CB 3.47Å; K636-C639 PolarHBondContact O-N 2.9Å; K636-C639 VanDerWaalsContact O-N 3.14Å; F637-C639 VanDerWaalsContact C-N 3.34Å; C639-Q641 PolarHBondContact O-N 2.71Å; C639-W642 CarbonylContact O-C 3.55Å; C639-W642 WeakPolarHBondContact O-CB 3.32Å; C639-W642 PolarHBondContact O-N 3.31Å; C639-W642 VanDerWaalsContact O-N 3.1Å; C639-I643 VanDerWaalsContact O-CG1 3.31Å; C639-I643 WeakPolarHBondContact O-CG1 3.43Å; C639-I643 PolarHBondContact O-N 3.35Å |
| 640 | D | 77.7 | Confident | 73 | Confident | 77 Ų | 77 | 116.2 Ų | 116.2 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 176.3 | -66.9 | -20 | 0 | 0 | 0 | 111.1 | K636 F637 W642 I643 Q644 | K636-D640 VanDerWaalsContact O-CG 3.27Å; K636-D640 PolarHBondContact O-N 3.28Å; F637-D640 PolarHBondContact O-N 3.47Å; D640-W642 VanDerWaalsContact C-N 3.34Å; D640-W642 PolarHBondContact O-N 3.18Å; D640-I643 PolarHBondContact O-N 3.43Å; D640-Q644 WeakPolarHBondContact O-CB 3.3Å; D640-Q644 WeakPolarHBondContact O-CG 3.36Å; D640-Q644 PolarHBondContact O-N 2.61Å |
| 641 | Q | 79.3 | Confident | 71.6 | Confident | 77 Ų | 77 | 118.6 Ų | 118.6 | 36% | 0.36 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 172.7 | -77.5 | -169.3 | -18.8 | 0 | 0 | 112.8 | F637 C639 R645 | F637-Q641 HydrophobicContact CD1-CG 4.47Å; F637-Q641 VanDerWaalsContact CE1-CD 3.46Å; F637-Q641 HydrophobicContact CE1-CG 4.16Å; F637-Q641 HydrophobicContact CZ-CG 4.25Å; F637-Q641 WeakPolarHBondContact O-CB 3.33Å; F637-Q641 WeakPolarHBondContact O-CG 3.35Å; F637-Q641 PolarHBondContact O-N 3.05Å; C639-Q641 PolarHBondContact O-N 2.71Å; Q641-R645 WeakPolarHBondContact O-CG 3.39Å; Q641-R645 PolarHBondContact O-N 2.96Å |
| 642 | W | 75.8 | Confident | 70 | Confident | 146 Ų | 146 | 112.8 Ų | 112.8 | 55% | 0.553 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70 | -40.6 | 177.9 | -178 | 85.7 | 0 | 0 | 0 | 111.9 | R638 C639 D640 R645 M646 | R638-W642 VanDerWaalsContact O-CB 3.3Å; R638-W642 WeakPolarHBondContact O-CB 3.44Å; R638-W642 PolarHBondContact O-N 3.45Å; C639-W642 CarbonylContact O-C 3.55Å; C639-W642 WeakPolarHBondContact O-CB 3.32Å; C639-W642 PolarHBondContact O-N 3.31Å; C639-W642 VanDerWaalsContact O-N 3.1Å; D640-W642 VanDerWaalsContact C-N 3.34Å; D640-W642 PolarHBondContact O-N 3.18Å; W642-R645 PolarHBondContact O-N 3.42Å; W642-M646 HydrophobicContact CD2-CG 4.38Å; W642-M646 HydrophobicContact CE3-CG 4.5Å; W642-M646 HydrophobicContact CH2-CE 3.48Å; W642-M646 VanDerWaalsContact CH2-CE 3.48Å; W642-M646 HydrophobicContact CH2-CG 4.34Å; W642-M646 HydrophobicContact CH2-SD 3.52Å; W642-M646 VanDerWaalsContact CH2-SD 3.52Å; W642-M646 HydrophobicContact CZ2-CE 3.1Å; W642-M646 HydrophobicContact CZ2-CG 4.22Å; W642-M646 HydrophobicContact CZ2-SD 3.72Å; W642-M646 HydrophobicContact CZ3-CE 4.44Å; W642-M646 HydrophobicContact CZ3-CG 4.46Å; W642-M646 HydrophobicContact CZ3-SD 3.98Å; W642-M646 PolarHBondContact O-N 3.02Å |
| 643 | I | 74.9 | Confident | 68.4 | Low | 69 Ų | 69 | 116.7 Ų | 116.7 | 35% | 0.354 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 173 | -68.8 | 168.2 | 0 | 0 | 0 | 109.9 | C639 D640 R645 M646 E647 | C639-I643 VanDerWaalsContact O-CG1 3.31Å; C639-I643 WeakPolarHBondContact O-CG1 3.43Å; C639-I643 PolarHBondContact O-N 3.35Å; D640-I643 PolarHBondContact O-N 3.43Å; I643-R645 VanDerWaalsContact C-N 3.31Å; I643-R645 PolarHBondContact O-N 2.93Å; I643-M646 CarbonylContact O-C 3.54Å; I643-M646 PolarHBondContact O-N 3.38Å; I643-M646 VanDerWaalsContact O-N 3.12Å; I643-E647 HydrophobicContact CG2-CG 4.46Å; I643-E647 PolarHBondContact O-N 3.37Å |
| 644 | Q | 74.6 | Confident | 66.8 | Low | 132 Ų | 132 | 116.9 Ų | 116.9 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.5 | -41.5 | 175.5 | -78.6 | -179.8 | -7.1 | 0 | 0 | 112 | D640 E647 H648 | D640-Q644 WeakPolarHBondContact O-CB 3.3Å; D640-Q644 WeakPolarHBondContact O-CG 3.36Å; D640-Q644 PolarHBondContact O-N 2.61Å; Q644-E647 PolarHBondContact O-N 3.5Å; Q644-H648 WeakPolarHBondContact O-CB 3.44Å; Q644-H648 PolarHBondContact O-N 3Å |
| 645 | R | 74.5 | Confident | 64.9 | Low | 172 Ų | 172 | 119 Ų | 119 | 65% | 0.649 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.9 | -43.4 | 173.7 | -75.1 | -177.7 | -165.1 | -171.8 | 4.5 | 112.2 | Q641 W642 I643 H648 D649 | Q641-R645 WeakPolarHBondContact O-CG 3.39Å; Q641-R645 PolarHBondContact O-N 2.96Å; W642-R645 PolarHBondContact O-N 3.42Å; I643-R645 VanDerWaalsContact C-N 3.31Å; I643-R645 PolarHBondContact O-N 2.93Å; R645-H648 PolarHBondContact O-N 2.91Å; R645-D649 PolarHBondContact O-N 3.44Å |
| 646 | M | 68.9 | Low | 63.1 | Low | 78 Ų | 78 | 119.3 Ų | 119.3 | 38% | 0.384 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.9 | -33.8 | 177.3 | -84.3 | -143.2 | 167.3 | 0 | 0 | 113.6 | W642 I643 R650 | W642-M646 HydrophobicContact CD2-CG 4.38Å; W642-M646 HydrophobicContact CE3-CG 4.5Å; W642-M646 HydrophobicContact CH2-CE 3.48Å; W642-M646 VanDerWaalsContact CH2-CE 3.48Å; W642-M646 HydrophobicContact CH2-CG 4.34Å; W642-M646 HydrophobicContact CH2-SD 3.52Å; W642-M646 VanDerWaalsContact CH2-SD 3.52Å; W642-M646 HydrophobicContact CZ2-CE 3.1Å; W642-M646 HydrophobicContact CZ2-CG 4.22Å; W642-M646 HydrophobicContact CZ2-SD 3.72Å; W642-M646 HydrophobicContact CZ3-CE 4.44Å; W642-M646 HydrophobicContact CZ3-CG 4.46Å; W642-M646 HydrophobicContact CZ3-SD 3.98Å; W642-M646 PolarHBondContact O-N 3.02Å; I643-M646 CarbonylContact O-C 3.54Å; I643-M646 PolarHBondContact O-N 3.38Å; I643-M646 VanDerWaalsContact O-N 3.12Å; M646-R650 WeakPolarHBondContact O-CB 3.47Å; M646-R650 PolarHBondContact O-N 3.04Å |
| 647 | E | 64.7 | Low | 61 | Low | 102 Ų | 102 | 116 Ų | 116 | 48% | 0.477 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.7 | -42.6 | 171.3 | -75.9 | -178.1 | 165.4 | 0 | 0 | 110.7 | I643 Q644 D649 R650 F651 | I643-E647 HydrophobicContact CG2-CG 4.46Å; I643-E647 PolarHBondContact O-N 3.37Å; Q644-E647 PolarHBondContact O-N 3.5Å; E647-D649 VanDerWaalsContact C-N 3.32Å; E647-D649 PolarHBondContact O-N 2.81Å; E647-R650 PolarHBondContact O-N 2.78Å; E647-F651 WeakPolarHBondContact O-CD2 3.23Å; E647-F651 PolarHBondContact O-N 3.48Å |
| 648 | H | 60.2 | Low | 58.9 | Low | 152 Ų | 152 | 119.6 Ų | 119.6 | 70% | 0.704 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.4 | -39.3 | 175.4 | -146.6 | -72.4 | 0 | 0 | 0 | 112 | Q644 R645 G652 | Q644-H648 WeakPolarHBondContact O-CB 3.44Å; Q644-H648 PolarHBondContact O-N 3Å; R645-H648 PolarHBondContact O-N 2.91Å; H648-G652 PolarHBondContact O-N 3.4Å |
| 649 | D | 59.6 | Low | 56.6 | Low | 106 Ų | 106 | 121.1 Ų | 121.1 | 57% | 0.567 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.4 | -41.9 | 173.8 | -74.5 | -23.7 | 0 | 0 | 0 | 111.4 | R645 E647 F651 G652 W653 | R645-D649 PolarHBondContact O-N 3.44Å; E647-D649 VanDerWaalsContact C-N 3.32Å; E647-D649 PolarHBondContact O-N 2.81Å; D649-F651 PolarHBondContact O-N 3.48Å; D649-G652 CarbonylContact O-C 3.6Å; D649-G652 VanDerWaalsContact O-CA 3.3Å; D649-G652 WeakPolarHBondContact O-CA 3.48Å; D649-G652 PolarHBondContact O-N 3.21Å; D649-W653 VanDerWaalsContact O-CD1 3.24Å; D649-W653 PolarHBondContact O-N 3.08Å |
| 650 | R | 53 | Low | 54.3 | Low | 168 Ų | 168 | 122.9 Ų | 122.9 | 63% | 0.634 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.6 | -39.2 | 176.6 | -95.3 | -170.4 | -79.9 | -152 | -1.9 | 113.2 | M646 E647 G652 W653 L654 | M646-R650 WeakPolarHBondContact O-CB 3.47Å; M646-R650 PolarHBondContact O-N 3.04Å; E647-R650 PolarHBondContact O-N 2.78Å; R650-G652 VanDerWaalsContact C-N 3.31Å; R650-W653 PolarHBondContact O-N 3.18Å; R650-L654 PolarHBondContact O-N 2.97Å |
| 651 | F | 48 | Very low | 52.1 | Low | 148 Ų | 148 | 128.6 Ų | 128.6 | 65% | 0.649 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.2 | -31 | 170.7 | -84.5 | -77.4 | 0 | 0 | 0 | 111.9 | E647 D649 W653 L654 C655 | E647-F651 WeakPolarHBondContact O-CD2 3.23Å; E647-F651 PolarHBondContact O-N 3.48Å; D649-F651 PolarHBondContact O-N 3.48Å; F651-W653 VanDerWaalsContact C-N 3.31Å; F651-W653 PolarHBondContact O-N 3.46Å; F651-L654 PolarHBondContact O-N 2.97Å; F651-C655 PolarHBondContact O-N 3.44Å |
| 652 | G | 45.3 | Very low | 49.7 | Very low | 29 Ų | 29 | 133.9 Ų | 133.9 | 30% | 0.299 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -56.5 | -42.1 | 168 | 0 | 0 | 0 | 0 | 0 | 112.7 | H648 D649 R650 C655 C656 | H648-G652 PolarHBondContact O-N 3.4Å; D649-G652 CarbonylContact O-C 3.6Å; D649-G652 VanDerWaalsContact O-CA 3.3Å; D649-G652 WeakPolarHBondContact O-CA 3.48Å; D649-G652 PolarHBondContact O-N 3.21Å; R650-G652 VanDerWaalsContact C-N 3.31Å; G652-C655 CarbonylContact O-C 3.56Å; G652-C655 PolarHBondContact O-N 3.36Å; G652-C656 VanDerWaalsContact O-CB 3.23Å; G652-C656 WeakPolarHBondContact O-CB 3.31Å; G652-C656 PolarHBondContact O-N 3.13Å |
| 653 | W | 43.4 | Very low | 47.6 | Very low | 209 Ų | 209 | 132.5 Ų | 132.5 | 79% | 0.792 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69 | -32.6 | 177.7 | -82 | 86.1 | 0 | 0 | 0 | 113.9 | D649 R650 F651 C655 C656 | D649-W653 VanDerWaalsContact O-CD1 3.24Å; D649-W653 PolarHBondContact O-N 3.08Å; R650-W653 PolarHBondContact O-N 3.18Å; F651-W653 VanDerWaalsContact C-N 3.31Å; F651-W653 PolarHBondContact O-N 3.46Å; W653-C655 VanDerWaalsContact C-N 3.3Å; W653-C655 PolarHBondContact O-N 2.8Å; W653-C656 PolarHBondContact O-N 3.39Å |
| 654 | L | 38.8 | Very low | 45.3 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -67.9 | -29.7 | 172.1 | -91.4 | 146.1 | 0 | 0 | 0 | 112.3 | R650 F651 | R650-L654 PolarHBondContact O-N 2.97Å; F651-L654 PolarHBondContact O-N 2.97Å |
| 655 | C | 38.3 | Very low | 43.3 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 76% | 0.757 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -87.6 | -21.1 | 173.4 | -69.3 | 0 | 0 | 0 | 0 | 114 | F651 G652 W653 G657 | F651-C655 PolarHBondContact O-N 3.44Å; G652-C655 CarbonylContact O-C 3.56Å; G652-C655 PolarHBondContact O-N 3.36Å; W653-C655 VanDerWaalsContact C-N 3.3Å; W653-C655 PolarHBondContact O-N 2.8Å; C655-G657 PolarHBondContact O-N 3.46Å |
| 656 | C | 35.8 | Very low | 41.4 | Very low | 87 Ų | 87 | 135.5 Ų | 135.5 | 59% | 0.588 | 74% | 0.735 | S | S | * | * | trans | -86.7 | 2.6 | -176.6 | -90.3 | 0 | 0 | 0 | 0 | 115.3 | G652 W653 K658 K659 | G652-C656 VanDerWaalsContact O-CB 3.23Å; G652-C656 WeakPolarHBondContact O-CB 3.31Å; G652-C656 PolarHBondContact O-N 3.13Å; W653-C656 PolarHBondContact O-N 3.39Å; C656-K658 PolarHBondContact O-N 3.35Å; C656-K659 PolarHBondContact O-N 3.31Å | ||
| 657 | G | 32.1 | Very low | 40 | Very low | 72 Ų | 72 | 138.4 Ų | 138.4 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | 5.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | C655 | C655-G657 PolarHBondContact O-N 3.46Š|
| 658 | K | 34.1 | Very low | 38.7 | Very low | 198 Ų | 198 | 140.3 Ų | 140.3 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | 2.2 | 179.4 | -86.7 | -171.9 | 176.1 | 179 | 0 | 117.6 | C656 | C656-K658 PolarHBondContact O-N 3.35Š|
| 659 | K | 31.5 | Very low | 37.5 | Very low | 200 Ų | 200 | 139.7 Ų | 139.7 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | trans | -142.7 | 65.1 | 178.4 | -75.3 | -171.7 | 177.1 | 177.1 | 0 | 113.9 | C656 | C656-K659 PolarHBondContact O-N 3.31Š| ||
| 660 | A | 29.2 | Very low | 36.2 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -100.9 | 87 | 157.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 661 | K | 31 | Very low | 35.1 | Very low | 198 Ų | 198 | 140 Ų | 140 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -136.1 | 101 | 164.1 | -88.2 | -170 | 176.6 | -178.5 | 0 | 109.2 | ||||
| 662 | H | 29.1 | Very low | 34.3 | Very low | 188 Ų | 188 | 139.5 Ų | 139.5 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | 35.5 | 109.7 | 143.3 | -62 | -12.2 | 0 | 0 | 0 | 118.7 | ||||
| 663 | S | 32.8 | Very low | 33.5 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | -170.3 | 85.3 | 126.6 | 58 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 664 | A | 27.2 | Very low | 32.7 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | trans | -93.6 | 115.1 | 156.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 665 | S | 31.7 | Very low | 32.2 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 73% | 0.734 | 85% | 0.848 | S | S | * | * | trans | -145.6 | 109.2 | 166.1 | 63.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 666 | V | 33.6 | Very low | 31.7 | Very low | 223 Ų | 223 | 145.2 Ų | 145.2 | 100% | 1.352 | 86% | 0.857 | S | S | * | * | trans | 64.4 | 0 | 163.8 | -165.7 | 0 | 0 | 0 | 0 | 117.7 |
Retrieved 666 of 666 residues in 144.7 ms
(Link to these results)