| 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 | 44.4 | Very low | 46.1 | Very low | 218 Ų | 218 | 125.6 Ų | 125.6 | 100% | 1.074 | 64% | 0.642 | S | S | * | * | 0 | 23.3 | 0 | -99.4 | 173.8 | 172.5 | 0 | 0 | 109.9 | |||||
| 2 | D | 39.9 | Very low | 46.8 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 68% | 0.684 | 63% | 0.627 | S | S | * | * | trans | -101.7 | -16.1 | -166 | -51.1 | -76 | 0 | 0 | 0 | 113 | ||||
| 3 | F | 36.2 | Very low | 47.5 | Very low | 174 Ų | 174 | 118.2 Ų | 118.2 | 76% | 0.763 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.1 | -26.6 | 178.9 | -115 | -86.5 | 0 | 0 | 0 | 114.3 | ||
| 4 | I | 46.9 | Very low | 48 | Very low | 138 Ų | 138 | 118.4 Ų | 118.4 | 71% | 0.708 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -81 | -24.8 | -179.6 | -62.9 | -171.6 | 0 | 0 | 0 | 111.1 | M8 | I4-M8 WeakPolarHBondContact O-CB 3.47Å; I4-M8 PolarHBondContact O-N 3.06Å |
| 5 | L | 43.3 | Very low | 48.5 | Very low | 112 Ų | 112 | 117.6 Ų | 117.6 | 59% | 0.586 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.9 | -39.7 | -178.6 | -138.2 | 111.3 | 0 | 0 | 0 | 111.6 | M8 D9 | L5-M8 PolarHBondContact O-N 2.9Å; L5-D9 PolarHBondContact O-N 3.17Å; L5-D9 VanDerWaalsContact O-N 3.09Å |
| 6 | E | 48.9 | Very low | 49.2 | Very low | 130 Ų | 130 | 113.4 Ų | 113.4 | 61% | 0.607 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.9 | -40.5 | 178.5 | -86.2 | 178.5 | 126.2 | 0 | 0 | 113.4 | M8 D9 L10 | E6-M8 VanDerWaalsContact C-N 3.32Å; E6-M8 PolarHBondContact O-N 3.17Å; E6-D9 PolarHBondContact O-N 3.32Å; E6-L10 WeakPolarHBondContact O-CB 3.27Å; E6-L10 PolarHBondContact O-N 3.16Å |
| 7 | D | 47.3 | Very low | 49.8 | Very low | 110 Ų | 110 | 111.5 Ų | 111.5 | 59% | 0.588 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.3 | -32.7 | 177.1 | -87.9 | -13.5 | 0 | 0 | 0 | 112.2 | A11 | D7-A11 WeakPolarHBondContact O-CB 3.33Å; D7-A11 PolarHBondContact O-N 3.42Å |
| 8 | M | 46.5 | Very low | 50.2 | Low | 126 Ų | 126 | 113.9 Ų | 113.9 | 62% | 0.621 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -73.6 | -36.5 | 179.3 | -146.7 | 173.5 | 74.4 | 0 | 0 | 111.6 | I4 L5 E6 A12 | I4-M8 WeakPolarHBondContact O-CB 3.47Å; I4-M8 PolarHBondContact O-N 3.06Å; L5-M8 PolarHBondContact O-N 2.9Å; E6-M8 VanDerWaalsContact C-N 3.32Å; E6-M8 PolarHBondContact O-N 3.17Å; M8-A12 VanDerWaalsContact O-CB 3.3Å; M8-A12 WeakPolarHBondContact O-CB 3.25Å; M8-A12 PolarHBondContact O-N 3.27Å |
| 9 | D | 49.6 | Very low | 51 | Low | 99 Ų | 99 | 113.2 Ų | 113.2 | 53% | 0.529 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.6 | -34.7 | 174.8 | -76.4 | -20.7 | 0 | 0 | 0 | 112.3 | L5 E6 N13 | L5-D9 PolarHBondContact O-N 3.17Å; L5-D9 VanDerWaalsContact O-N 3.09Å; E6-D9 PolarHBondContact O-N 3.32Å; D9-N13 VanDerWaalsContact O-CB 3.31Å; D9-N13 WeakPolarHBondContact O-CB 3.45Å; D9-N13 PolarHBondContact O-N 3.3Å |
| 10 | L | 53.5 | Low | 51.6 | Low | 103 Ų | 103 | 114.4 Ų | 114.4 | 54% | 0.539 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.5 | -46.8 | 171.3 | -90.2 | 157.4 | 0 | 0 | 0 | 111.9 | E6 N13 E14 | E6-L10 WeakPolarHBondContact O-CB 3.27Å; E6-L10 PolarHBondContact O-N 3.16Å; L10-N13 PolarHBondContact O-N 3.46Å; L10-E14 PolarHBondContact O-N 3.41Å |
| 11 | A | 51 | Low | 52.2 | Low | 44 Ų | 44 | 111.4 Ų | 111.4 | 36% | 0.364 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.7 | -39.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D7 N13 E14 I15 | D7-A11 WeakPolarHBondContact O-CB 3.33Å; D7-A11 PolarHBondContact O-N 3.42Å; A11-N13 VanDerWaalsContact C-N 3.34Å; A11-E14 PolarHBondContact O-N 3.17Å; A11-I15 WeakPolarHBondContact O-CD1 2.94Å; A11-I15 WeakPolarHBondContact O-CG1 3.47Å; A11-I15 PolarHBondContact O-N 2.89Å |
| 12 | A | 53.9 | Low | 53.3 | Low | 56 Ų | 56 | 103.7 Ų | 103.7 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | M8 S16 | M8-A12 VanDerWaalsContact O-CB 3.3Å; M8-A12 WeakPolarHBondContact O-CB 3.25Å; M8-A12 PolarHBondContact O-N 3.27Å; A12-S16 WeakPolarHBondContact O-CB 3.01Å; A12-S16 PolarHBondContact O-N 2.91Å; A12-S16 VanDerWaalsContact O-N 3.09Å |
| 13 | N | 55.9 | Low | 54.7 | Low | 99 Ų | 99 | 104.5 Ų | 104.5 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.4 | -38.6 | 175.2 | -164.7 | 25.7 | 0 | 0 | 0 | 111.8 | D9 L10 A11 S16 I17 | D9-N13 VanDerWaalsContact O-CB 3.31Å; D9-N13 WeakPolarHBondContact O-CB 3.45Å; D9-N13 PolarHBondContact O-N 3.3Å; L10-N13 PolarHBondContact O-N 3.46Å; A11-N13 VanDerWaalsContact C-N 3.34Å; N13-S16 PolarHBondContact O-N 3.23Å; N13-I17 WeakPolarHBondContact O-CD1 3.27Å; N13-I17 VanDerWaalsContact O-CG1 3.25Å; N13-I17 WeakPolarHBondContact O-CG1 3.33Å; N13-I17 PolarHBondContact O-N 2.87Å; N13-I17 VanDerWaalsContact O-N 3.14Å |
| 14 | E | 54.8 | Low | 56.3 | Low | 120 Ų | 120 | 100.1 Ų | 100.1 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63 | -45.8 | 173.5 | -77.3 | -171.5 | 164.7 | 0 | 0 | 112 | L10 A11 S16 I17 Y18 | L10-E14 PolarHBondContact O-N 3.41Å; A11-E14 PolarHBondContact O-N 3.17Å; E14-S16 VanDerWaalsContact C-N 3.29Å; E14-S16 PolarHBondContact O-N 2.92Å; E14-I17 PolarHBondContact O-N 3.48Å; E14-I17 VanDerWaalsContact O-N 3.14Å; E14-Y18 WeakPolarHBondContact O-CD2 3.4Å; E14-Y18 PolarHBondContact O-N 3.48Å |
| 15 | I | 55.7 | Low | 57.3 | Low | 107 Ų | 107 | 95 Ų | 95 | 55% | 0.549 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 176.8 | -66.8 | 160.2 | 0 | 0 | 0 | 110.8 | A11 I17 Y18 D19 | A11-I15 WeakPolarHBondContact O-CD1 2.94Å; A11-I15 WeakPolarHBondContact O-CG1 3.47Å; A11-I15 PolarHBondContact O-N 2.89Å; I15-I17 VanDerWaalsContact C-N 3.33Å; I15-I17 PolarHBondContact O-N 3.03Å; I15-Y18 PolarHBondContact O-N 3.1Å; I15-D19 PolarHBondContact O-N 2.94Å; I15-D19 VanDerWaalsContact O-N 3.15Å |
| 16 | S | 58.6 | Low | 58.7 | Low | 51 Ų | 51 | 94.3 Ų | 94.3 | 36% | 0.357 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -31.4 | 176.9 | -176.1 | 0 | 0 | 0 | 0 | 113.9 | A12 N13 E14 K20 | A12-S16 WeakPolarHBondContact O-CB 3.01Å; A12-S16 PolarHBondContact O-N 2.91Å; A12-S16 VanDerWaalsContact O-N 3.09Å; N13-S16 PolarHBondContact O-N 3.23Å; E14-S16 VanDerWaalsContact C-N 3.29Å; E14-S16 PolarHBondContact O-N 2.92Å; S16-K20 WeakPolarHBondContact O-CG 3.3Å; S16-K20 PolarHBondContact O-N 2.98Å |
| 17 | I | 59.7 | Low | 59.9 | Low | 81 Ų | 81 | 93.1 Ų | 93.1 | 42% | 0.415 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.4 | -41.1 | 179.4 | -68 | 161.8 | 0 | 0 | 0 | 110.7 | N13 E14 I15 K20 L21 | N13-I17 WeakPolarHBondContact O-CD1 3.27Å; N13-I17 VanDerWaalsContact O-CG1 3.25Å; N13-I17 WeakPolarHBondContact O-CG1 3.33Å; N13-I17 PolarHBondContact O-N 2.87Å; N13-I17 VanDerWaalsContact O-N 3.14Å; E14-I17 PolarHBondContact O-N 3.48Å; E14-I17 VanDerWaalsContact O-N 3.14Å; I15-I17 VanDerWaalsContact C-N 3.33Å; I15-I17 PolarHBondContact O-N 3.03Å; I17-K20 PolarHBondContact O-N 3.3Å; I17-L21 HydrophobicContact CG2-CD1 4.09Å; I17-L21 PolarHBondContact O-N 3.47Å |
| 18 | Y | 58.3 | Low | 61.2 | Low | 154 Ų | 154 | 89.3 Ų | 89.3 | 60% | 0.604 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.2 | -38.7 | 177.6 | -72.3 | -70.7 | 0 | 0 | 0 | 112.5 | E14 I15 L21 S22 | E14-Y18 WeakPolarHBondContact O-CD2 3.4Å; E14-Y18 PolarHBondContact O-N 3.48Å; I15-Y18 PolarHBondContact O-N 3.1Å; Y18-L21 PolarHBondContact O-N 3.24Å; Y18-S22 PolarHBondContact O-N 2.94Å; Y18-S22 PolarHBondContact O-OG 3.43Å |
| 19 | D | 63.9 | Low | 62.4 | Low | 101 Ų | 101 | 88.1 Ų | 88.1 | 54% | 0.54 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 175.7 | -82.3 | -13.6 | 0 | 0 | 0 | 112 | I15 L21 S22 E23 | I15-D19 PolarHBondContact O-N 2.94Å; I15-D19 VanDerWaalsContact O-N 3.15Å; D19-L21 VanDerWaalsContact C-N 3.32Å; D19-L21 PolarHBondContact O-N 3.48Å; D19-S22 WeakPolarHBondContact CA-OG 3.41Å; D19-S22 PolarHBondContact O-N 3.03Å; D19-S22 PolarHBondContact O-OG 3.04Å; D19-E23 PolarHBondContact O-N 3.26Å |
| 20 | K | 64.3 | Low | 63.6 | Low | 136 Ų | 136 | 89.7 Ų | 89.7 | 59% | 0.591 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.7 | -37.7 | 174 | -79.5 | 179.8 | 178.8 | 173.1 | 0 | 112 | S16 I17 T24 | S16-K20 WeakPolarHBondContact O-CG 3.3Å; S16-K20 PolarHBondContact O-N 2.98Å; I17-K20 PolarHBondContact O-N 3.3Å; K20-T24 PolarHBondContact O-N 3.09Å; K20-T24 VanDerWaalsContact O-N 3.08Å; K20-T24 PolarHBondContact O-OG1 3.48Å |
| 21 | L | 62.8 | Low | 64.6 | Low | 53 Ų | 53 | 88.1 Ų | 88.1 | 28% | 0.277 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 175.8 | -110.1 | 111.4 | 0 | 0 | 0 | 111.9 | I17 Y18 D19 T24 V25 L50 | I17-L21 HydrophobicContact CG2-CD1 4.09Å; I17-L21 PolarHBondContact O-N 3.47Å; Y18-L21 PolarHBondContact O-N 3.24Å; D19-L21 VanDerWaalsContact C-N 3.32Å; D19-L21 PolarHBondContact O-N 3.48Å; L21-T24 PolarHBondContact O-N 3.45Å; L21-V25 WeakPolarHBondContact O-CB 3.49Å; L21-V25 VanDerWaalsContact O-CG2 3.27Å; L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 3.37Å; L21-L50 HydrophobicContact CD2-CD2 3.59Å |
| 22 | S | 67.6 | Low | 65.5 | Low | 56 Ų | 56 | 86.4 Ų | 86.4 | 39% | 0.392 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 175.8 | 52 | 0 | 0 | 0 | 0 | 112.1 | Y18 D19 T24 V25 D26 | Y18-S22 PolarHBondContact O-N 2.94Å; Y18-S22 PolarHBondContact O-OG 3.43Å; D19-S22 WeakPolarHBondContact CA-OG 3.41Å; D19-S22 PolarHBondContact O-N 3.03Å; D19-S22 PolarHBondContact O-OG 3.04Å; S22-T24 VanDerWaalsContact C-N 3.28Å; S22-T24 PolarHBondContact O-N 3.42Å; S22-V25 PolarHBondContact O-N 3.33Å; S22-V25 VanDerWaalsContact O-N 3.16Å; S22-D26 PolarHBondContact O-N 2.94Å |
| 23 | E | 70.8 | Confident | 66.4 | Low | 144 Ų | 144 | 88.6 Ų | 88.6 | 67% | 0.673 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.7 | -38.1 | 177 | -167.9 | 177.8 | -167.6 | 0 | 0 | 111.5 | D19 L27 | D19-E23 PolarHBondContact O-N 3.26Å; E23-L27 WeakPolarHBondContact O-CB 3.47Å; E23-L27 PolarHBondContact O-N 3.29Å; E23-L27 VanDerWaalsContact O-N 3.08Å |
| 24 | T | 69 | Low | 67.1 | Low | 83 Ų | 83 | 91.5 Ų | 91.5 | 51% | 0.509 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.1 | -37.7 | 176 | -40.5 | 0 | 0 | 0 | 0 | 111.9 | K20 L21 S22 V28 | K20-T24 PolarHBondContact O-N 3.09Å; K20-T24 VanDerWaalsContact O-N 3.08Å; K20-T24 PolarHBondContact O-OG1 3.48Å; L21-T24 PolarHBondContact O-N 3.45Å; S22-T24 VanDerWaalsContact C-N 3.28Å; S22-T24 PolarHBondContact O-N 3.42Å; T24-V28 VanDerWaalsContact O-CG2 3.24Å; T24-V28 WeakPolarHBondContact O-CG2 3.41Å; T24-V28 PolarHBondContact O-N 2.98Å; T24-V28 VanDerWaalsContact O-N 3.1Å |
| 25 | V | 68.6 | Low | 67.8 | Low | 29 Ų | 29 | 90.9 Ų | 90.9 | 18% | 0.176 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -69 | -40.1 | 177.9 | 168.3 | 0 | 0 | 0 | 0 | 111.4 | L21 S22 V28 R29 I46 | L21-V25 WeakPolarHBondContact O-CB 3.49Å; L21-V25 VanDerWaalsContact O-CG2 3.27Å; L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 3.37Å; S22-V25 PolarHBondContact O-N 3.33Å; S22-V25 VanDerWaalsContact O-N 3.16Å; V25-V28 PolarHBondContact O-N 3.04Å; V25-R29 PolarHBondContact O-N 3.08Å; V25-I46 HydrophobicContact CG1-CD1 3.95Å; V25-I46 HydrophobicContact CG1-CG1 4.2Å; V25-I46 HydrophobicContact CG1-CG2 3.94Å; V25-I46 HydrophobicContact CG2-CG2 4.31Å |
| 26 | D | 72.8 | Confident | 68.6 | Low | 99 Ų | 99 | 89.1 Ų | 89.1 | 53% | 0.529 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 177.4 | -73.4 | -25.1 | 0 | 0 | 0 | 111.6 | S22 V28 R29 Q30 | S22-D26 PolarHBondContact O-N 2.94Å; D26-V28 VanDerWaalsContact C-N 3.33Å; D26-V28 PolarHBondContact O-N 3.37Å; D26-R29 PolarHBondContact O-N 3.14Å; D26-Q30 WeakPolarHBondContact O-CB 3.37Å; D26-Q30 PolarHBondContact O-N 3.09Å |
| 27 | L | 74.3 | Confident | 69.4 | Low | 105 Ų | 105 | 90.6 Ų | 90.6 | 55% | 0.55 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 173.1 | -173.2 | 67.1 | 0 | 0 | 0 | 112 | E23 Q30 T31 | E23-L27 WeakPolarHBondContact O-CB 3.47Å; E23-L27 PolarHBondContact O-N 3.29Å; E23-L27 VanDerWaalsContact O-N 3.08Å; L27-Q30 PolarHBondContact O-N 3.25Å; L27-T31 PolarHBondContact O-N 2.95Å; L27-T31 PolarHBondContact O-OG1 3.35Å |
| 28 | V | 73.3 | Confident | 70 | Confident | 29 Ų | 29 | 90.5 Ų | 90.5 | 18% | 0.176 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -66.3 | -37.1 | 175.5 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | T24 V25 D26 T31 G32 F45 I46 L49 | T24-V28 VanDerWaalsContact O-CG2 3.24Å; T24-V28 WeakPolarHBondContact O-CG2 3.41Å; T24-V28 PolarHBondContact O-N 2.98Å; T24-V28 VanDerWaalsContact O-N 3.1Å; V25-V28 PolarHBondContact O-N 3.04Å; D26-V28 VanDerWaalsContact C-N 3.33Å; D26-V28 PolarHBondContact O-N 3.37Å; V28-T31 WeakPolarHBondContact CA-OG1 3.23Å; V28-T31 PolarHBondContact O-OG1 3.37Å; V28-G32 PolarHBondContact O-N 2.96Å; V28-F45 HydrophobicContact CG1-CD1 3.78Å; V28-F45 HydrophobicContact CG1-CE1 4.15Å; V28-I46 HydrophobicContact CG1-CG1 4.31Å; V28-L49 HydrophobicContact CG1-CD1 4.34Å; V28-L49 HydrophobicContact CG2-CD1 4.14Å |
| 29 | R | 72.8 | Confident | 70.8 | Confident | 102 Ų | 102 | 89 Ų | 89 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 175.5 | -158.6 | 179.1 | -159.7 | 118.6 | 2.8 | 111.1 | V25 D26 G32 H33 E39 I42 | V25-R29 PolarHBondContact O-N 3.08Å; D26-R29 PolarHBondContact O-N 3.14Å; R29-G32 PolarHBondContact O-N 2.76Å; R29-H33 PolarHBondContact O-CD2 3.32Å; R29-H33 PolarHBondContact O-N 3Å; R29-E39 IonicContact NH2-OE1 3.75Å; R29-E39 PolarHBondContact NH2-OE1 3.36Å; R29-I42 HydrophobicContact CB-CG2 4.5Å; R29-I42 HydrophobicContact CG-CG2 4.16Å |
| 30 | Q | 74.4 | Confident | 71.3 | Confident | 132 Ų | 132 | 92.1 Ų | 92.1 | 62% | 0.617 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.2 | -44.3 | 178.9 | -170.3 | 175.6 | 1.7 | 0 | 0 | 112.1 | D26 L27 H33 Q34 | D26-Q30 WeakPolarHBondContact O-CB 3.37Å; D26-Q30 PolarHBondContact O-N 3.09Å; L27-Q30 PolarHBondContact O-N 3.25Å; Q30-H33 PolarHBondContact O-N 3.38Å; Q30-Q34 PolarHBondContact O-N 3.45Å; Q30-Q34 VanDerWaalsContact O-N 3.11Å |
| 31 | T | 74 | Confident | 71.7 | Confident | 69 Ų | 69 | 87.3 Ų | 87.3 | 42% | 0.423 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.1 | -37.8 | 175.3 | 38.5 | 0 | 0 | 0 | 0 | 112.5 | L27 V28 H33 Q34 C35 | L27-T31 PolarHBondContact O-N 2.95Å; L27-T31 PolarHBondContact O-OG1 3.35Å; V28-T31 WeakPolarHBondContact CA-OG1 3.23Å; V28-T31 PolarHBondContact O-OG1 3.37Å; T31-H33 VanDerWaalsContact C-N 3.35Å; T31-H33 PolarHBondContact O-N 3.3Å; T31-Q34 PolarHBondContact O-N 3.36Å; T31-C35 PolarHBondContact O-N 3.3Å |
| 32 | G | 70.3 | Confident | 72.1 | Confident | 8 Ų | 8 | 85 Ų | 85 | 8% | 0.082 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | V28 R29 C35 G36 M37 | V28-G32 PolarHBondContact O-N 2.96Å; R29-G32 PolarHBondContact O-N 2.76Å; G32-C35 PolarHBondContact O-N 3.22Å; G32-G36 PolarHBondContact O-N 3.16Å; G32-M37 WeakPolarHBondContact O-CB 3.26Å; G32-M37 PolarHBondContact O-N 3.1Å |
| 33 | H | 72.9 | Confident | 72.5 | Confident | 103 Ų | 103 | 87.9 Ų | 87.9 | 48% | 0.477 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.9 | -37.9 | 173.6 | -76.3 | -59.6 | 0 | 0 | 0 | 112.5 | R29 Q30 T31 C35 G36 | R29-H33 PolarHBondContact O-CD2 3.32Å; R29-H33 PolarHBondContact O-N 3Å; Q30-H33 PolarHBondContact O-N 3.38Å; T31-H33 VanDerWaalsContact C-N 3.35Å; T31-H33 PolarHBondContact O-N 3.3Å; H33-C35 VanDerWaalsContact C-N 3.3Å; H33-C35 PolarHBondContact O-N 2.87Å; H33-G36 PolarHBondContact O-N 3.33Å; H33-G36 VanDerWaalsContact O-N 3.15Å |
| 34 | Q | 70.3 | Confident | 72.9 | Confident | 160 Ų | 160 | 88.5 Ų | 88.5 | 75% | 0.748 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.1 | -30.6 | 176.1 | -120.7 | 174.7 | -11 | 0 | 0 | 113 | Q30 T31 G36 | Q30-Q34 PolarHBondContact O-N 3.45Å; Q30-Q34 VanDerWaalsContact O-N 3.11Å; T31-Q34 PolarHBondContact O-N 3.36Å; Q34-G36 VanDerWaalsContact C-N 3.31Å |
| 35 | C | 70.4 | Confident | 73.2 | Confident | 107 Ų | 107 | 89.5 Ų | 89.5 | 72% | 0.723 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 7 | 174.1 | -75.7 | 0 | 0 | 0 | 0 | 114.2 | T31 G32 H33 M37 | T31-C35 PolarHBondContact O-N 3.3Å; G32-C35 PolarHBondContact O-N 3.22Å; H33-C35 VanDerWaalsContact C-N 3.3Å; H33-C35 PolarHBondContact O-N 2.87Å; C35-M37 VanDerWaalsContact C-N 3.28Å; C35-M37 PolarHBondContact O-N 3.24Å |
| 36 | G | 70.6 | Confident | 73.4 | Confident | 69 Ų | 69 | 89 Ų | 89 | 71% | 0.711 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 20.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G32 H33 Q34 | G32-G36 PolarHBondContact O-N 3.16Å; H33-G36 PolarHBondContact O-N 3.33Å; H33-G36 VanDerWaalsContact O-N 3.15Å; Q34-G36 VanDerWaalsContact C-N 3.31Å |
| 37 | M | 75.5 | Confident | 73.4 | Confident | 83 Ų | 83 | 92.4 Ų | 92.4 | 41% | 0.409 | 47% | 0.471 | S | S | . | . | trans | -73 | 139.7 | 177.4 | -67 | -176.9 | 64.4 | 0 | 0 | 111.1 | G32 C35 A41 I42 | G32-M37 WeakPolarHBondContact O-CB 3.26Å; G32-M37 PolarHBondContact O-N 3.1Å; C35-M37 VanDerWaalsContact C-N 3.28Å; C35-M37 PolarHBondContact O-N 3.24Å; M37-A41 HydrophobicContact CE-CB 3.71Å; M37-I42 HydrophobicContact CB-CD1 4.27Å; M37-I42 HydrophobicContact CB-CG1 3.91Å | ||
| 38 | S | 73.8 | Confident | 73.3 | Confident | 79 Ų | 79 | 93.5 Ų | 93.5 | 55% | 0.552 | 47% | 0.473 | S | S | * | . | trans | -65.6 | 146.8 | 171.9 | 68.8 | 0 | 0 | 0 | 0 | 111.1 | K40 A41 I42 | S38-K40 PolarHBondContact O-N 3.44Å; S38-K40 VanDerWaalsContact O-N 3.11Å; S38-A41 WeakPolarHBondContact O-CA 3.3Å; S38-A41 WeakPolarHBondContact O-CB 3.31Å; S38-A41 PolarHBondContact O-N 3.15Å; S38-I42 PolarHBondContact O-N 3.45Å | ||
| 39 | E | 74.4 | Confident | 73.2 | Confident | 122 Ų | 122 | 94.8 Ų | 94.8 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -56 | -33.8 | -176 | -162.6 | 172.8 | -168.9 | 0 | 0 | 113 | R29 A41 I42 E43 | R29-E39 IonicContact NH2-OE1 3.75Å; R29-E39 PolarHBondContact NH2-OE1 3.36Å; E39-A41 VanDerWaalsContact C-N 3.33Å; E39-A41 PolarHBondContact O-N 2.03Å; E39-I42 PolarHBondContact O-N 3.11Å; E39-E43 PolarHBondContact O-N 3.38Å |
| 40 | K | 73.5 | Confident | 72.9 | Confident | 166 Ų | 166 | 93.9 Ų | 93.9 | 72% | 0.722 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.3 | -29.4 | 175.4 | -66.9 | -175.8 | 178.9 | -179.9 | 0 | 113.8 | S38 K44 | S38-K40 PolarHBondContact O-N 3.44Å; S38-K40 VanDerWaalsContact O-N 3.11Å; K40-K44 PolarHBondContact O-N 2.9Å |
| 41 | A | 72.9 | Confident | 72.8 | Confident | 35 Ų | 35 | 94.4 Ų | 94.4 | 29% | 0.289 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -77.4 | -37.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | M37 S38 E39 K44 F45 | M37-A41 HydrophobicContact CE-CB 3.71Å; S38-A41 WeakPolarHBondContact O-CA 3.3Å; S38-A41 WeakPolarHBondContact O-CB 3.31Å; S38-A41 PolarHBondContact O-N 3.15Å; E39-A41 VanDerWaalsContact C-N 3.33Å; E39-A41 PolarHBondContact O-N 2.03Å; A41-K44 PolarHBondContact O-N 3.43Å; A41-F45 PolarHBondContact O-N 3Å; A41-F45 VanDerWaalsContact O-N 3.1Å |
| 42 | I | 72.4 | Confident | 72.6 | Confident | 5 Ų | 5 | 99.6 Ų | 99.6 | 3% | 0.026 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 173.7 | -59.9 | 173.1 | 0 | 0 | 0 | 109.9 | R29 M37 S38 E39 K44 F45 I46 | R29-I42 HydrophobicContact CB-CG2 4.5Å; R29-I42 HydrophobicContact CG-CG2 4.16Å; M37-I42 HydrophobicContact CB-CD1 4.27Å; M37-I42 HydrophobicContact CB-CG1 3.91Å; S38-I42 PolarHBondContact O-N 3.45Å; E39-I42 PolarHBondContact O-N 3.11Å; I42-K44 PolarHBondContact O-N 2.93Å; I42-F45 PolarHBondContact O-N 3.05Å; I42-F45 VanDerWaalsContact O-N 3.16Å; I42-I46 HydrophobicContact CG2-CD1 3.76Å; I42-I46 HydrophobicContact CG2-CG1 4.36Å; I42-I46 WeakPolarHBondContact O-CG1 3.41Å; I42-I46 PolarHBondContact O-N 2.97Å |
| 43 | E | 76.5 | Confident | 72 | Confident | 116 Ų | 116 | 103.6 Ų | 103.6 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 177.6 | -168.8 | -173.7 | 170.1 | 0 | 0 | 112.7 | E39 F45 I46 R47 | E39-E43 PolarHBondContact O-N 3.38Å; E43-F45 VanDerWaalsContact C-N 3.3Å; E43-F45 PolarHBondContact O-N 2.85Å; E43-I46 PolarHBondContact O-N 3.32Å; E43-R47 WeakPolarHBondContact O-CB 3.25Å; E43-R47 PolarHBondContact O-N 3.49Å |
| 44 | K | 78.4 | Confident | 71.4 | Confident | 158 Ų | 158 | 104.1 Ų | 104.1 | 69% | 0.687 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.4 | -38.7 | 174.8 | -81.8 | -174.5 | 178.5 | -176.8 | 0 | 112.3 | K40 A41 I42 R47 Q48 | K40-K44 PolarHBondContact O-N 2.9Å; A41-K44 PolarHBondContact O-N 3.43Å; I42-K44 PolarHBondContact O-N 2.93Å; K44-R47 PolarHBondContact O-N 2.89Å; K44-Q48 PolarHBondContact O-N 2.89Å |
| 45 | F | 74.2 | Confident | 70.5 | Confident | 103 Ų | 103 | 100.9 Ų | 100.9 | 45% | 0.452 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.9 | -42 | 179.4 | -166.1 | -102.6 | 0 | 0 | 0 | 112 | V28 A41 I42 E43 R47 Q48 L49 | V28-F45 HydrophobicContact CG1-CD1 3.78Å; V28-F45 HydrophobicContact CG1-CE1 4.15Å; A41-F45 PolarHBondContact O-N 3Å; A41-F45 VanDerWaalsContact O-N 3.1Å; I42-F45 PolarHBondContact O-N 3.05Å; I42-F45 VanDerWaalsContact O-N 3.16Å; E43-F45 VanDerWaalsContact C-N 3.3Å; E43-F45 PolarHBondContact O-N 2.85Å; F45-R47 VanDerWaalsContact C-N 3.31Å; F45-R47 PolarHBondContact O-N 2.97Å; F45-Q48 PolarHBondContact O-N 3.42Å; F45-L49 HydrophobicContact CD1-CD1 3.69Å; F45-L49 HydrophobicContact CD1-CG 4.43Å; F45-L49 HydrophobicContact CE1-CD1 3.5Å; F45-L49 VanDerWaalsContact CE1-CD1 3.5Å; F45-L49 HydrophobicContact CE1-CG 4.21Å; F45-L49 HydrophobicContact CZ-CD1 4.38Å; F45-L49 PolarHBondContact O-N 2.83Å |
| 46 | I | 73 | Confident | 69.8 | Low | 19 Ų | 19 | 104.8 Ų | 104.8 | 10% | 0.097 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 172.6 | -68.3 | 167.4 | 0 | 0 | 0 | 110.3 | V25 V28 I42 E43 Q48 L49 L50 | V25-I46 HydrophobicContact CG1-CD1 3.95Å; V25-I46 HydrophobicContact CG1-CG1 4.2Å; V25-I46 HydrophobicContact CG1-CG2 3.94Å; V25-I46 HydrophobicContact CG2-CG2 4.31Å; V28-I46 HydrophobicContact CG1-CG1 4.31Å; I42-I46 HydrophobicContact CG2-CD1 3.76Å; I42-I46 HydrophobicContact CG2-CG1 4.36Å; I42-I46 WeakPolarHBondContact O-CG1 3.41Å; I42-I46 PolarHBondContact O-N 2.97Å; E43-I46 PolarHBondContact O-N 3.32Å; I46-Q48 PolarHBondContact O-N 3.49Å; I46-L49 PolarHBondContact O-N 3.07Å; I46-L50 HydrophobicContact CG2-CD1 3.78Å; I46-L50 HydrophobicContact CG2-CG 4.32Å; I46-L50 WeakPolarHBondContact O-CG 3.27Å; I46-L50 PolarHBondContact O-N 3.46Å |
| 47 | R | 73.8 | Confident | 69 | Low | 171 Ų | 171 | 111.3 Ų | 111.3 | 65% | 0.645 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 178 | -170.6 | 178.4 | -88.6 | -104.3 | 2.6 | 111.8 | E43 K44 F45 L50 E51 | E43-R47 WeakPolarHBondContact O-CB 3.25Å; E43-R47 PolarHBondContact O-N 3.49Å; K44-R47 PolarHBondContact O-N 2.89Å; F45-R47 VanDerWaalsContact C-N 3.31Å; F45-R47 PolarHBondContact O-N 2.97Å; R47-L50 PolarHBondContact O-N 2.93Å; R47-E51 VanDerWaalsContact O-CB 3.31Å; R47-E51 WeakPolarHBondContact O-CB 3.36Å; R47-E51 PolarHBondContact O-N 3.03Å |
| 48 | Q | 72.3 | Confident | 68 | Low | 127 Ų | 127 | 112.7 Ų | 112.7 | 59% | 0.593 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65 | -36.4 | 174.3 | -77.8 | -172.2 | -40.7 | 0 | 0 | 113.1 | K44 F45 I46 K52 | K44-Q48 PolarHBondContact O-N 2.89Å; F45-Q48 PolarHBondContact O-N 3.42Å; I46-Q48 PolarHBondContact O-N 3.49Å; Q48-K52 VanDerWaalsContact O-CB 3.26Å; Q48-K52 WeakPolarHBondContact O-CB 3.43Å; Q48-K52 PolarHBondContact O-N 3.3Å; Q48-K52 VanDerWaalsContact O-N 3.08Å |
| 49 | L | 70.9 | Confident | 67 | Low | 56 Ų | 56 | 114.2 Ų | 114.2 | 29% | 0.293 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 176.1 | -86.7 | 167.5 | 0 | 0 | 0 | 112.1 | V28 F45 I46 K52 N53 | V28-L49 HydrophobicContact CG1-CD1 4.34Å; V28-L49 HydrophobicContact CG2-CD1 4.14Å; F45-L49 HydrophobicContact CD1-CD1 3.69Å; F45-L49 HydrophobicContact CD1-CG 4.43Å; F45-L49 HydrophobicContact CE1-CD1 3.5Å; F45-L49 VanDerWaalsContact CE1-CD1 3.5Å; F45-L49 HydrophobicContact CE1-CG 4.21Å; F45-L49 HydrophobicContact CZ-CD1 4.38Å; F45-L49 PolarHBondContact O-N 2.83Å; I46-L49 PolarHBondContact O-N 3.07Å; L49-K52 PolarHBondContact O-N 2.97Å; L49-N53 WeakPolarHBondContact O-CB 3.43Å; L49-N53 PolarHBondContact O-N 3.09Å; L49-N53 VanDerWaalsContact O-N 3.09Å; L49-N53 PolarHBondContact O-ND2 3.19Å |
| 50 | L | 67.1 | Low | 66.1 | Low | 83 Ų | 83 | 112.1 Ų | 112.1 | 44% | 0.435 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.5 | -42.7 | 177.7 | -73.4 | 168.9 | 0 | 0 | 0 | 111.6 | L21 I46 R47 K52 N53 E54 | L21-L50 HydrophobicContact CD2-CD2 3.59Å; I46-L50 HydrophobicContact CG2-CD1 3.78Å; I46-L50 HydrophobicContact CG2-CG 4.32Å; I46-L50 WeakPolarHBondContact O-CG 3.27Å; I46-L50 PolarHBondContact O-N 3.46Å; R47-L50 PolarHBondContact O-N 2.93Å; L50-K52 VanDerWaalsContact C-N 3.29Å; L50-K52 PolarHBondContact O-N 3.37Å; L50-N53 PolarHBondContact O-N 3.15Å; L50-E54 PolarHBondContact O-N 3.43Å |
| 51 | E | 71.3 | Confident | 65.7 | Low | 143 Ų | 143 | 112.5 Ų | 112.5 | 67% | 0.668 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.3 | -32.8 | 178.4 | -166.6 | 171.9 | -168.1 | 0 | 0 | 112 | R47 | R47-E51 VanDerWaalsContact O-CB 3.31Å; R47-E51 WeakPolarHBondContact O-CB 3.36Å; R47-E51 PolarHBondContact O-N 3.03Å |
| 52 | K | 69.1 | Low | 65.1 | Low | 179 Ų | 179 | 118.2 Ų | 118.2 | 78% | 0.778 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -78.2 | -25.7 | 176.8 | -170.9 | 172.6 | 179.2 | 176.8 | 0 | 113.7 | Q48 L49 L50 | Q48-K52 VanDerWaalsContact O-CB 3.26Å; Q48-K52 WeakPolarHBondContact O-CB 3.43Å; Q48-K52 PolarHBondContact O-N 3.3Å; Q48-K52 VanDerWaalsContact O-N 3.08Å; L49-K52 PolarHBondContact O-N 2.97Å; L50-K52 VanDerWaalsContact C-N 3.29Å; L50-K52 PolarHBondContact O-N 3.37Å |
| 53 | N | 58.8 | Low | 64.9 | Low | 92 Ų | 92 | 121.7 Ų | 121.7 | 49% | 0.492 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -103.9 | 7.9 | -178.9 | -72.3 | -73.2 | 0 | 0 | 0 | 113.4 | L49 L50 P55 | L49-N53 WeakPolarHBondContact O-CB 3.43Å; L49-N53 PolarHBondContact O-N 3.09Å; L49-N53 VanDerWaalsContact O-N 3.09Å; L49-N53 PolarHBondContact O-ND2 3.19Å; L50-N53 PolarHBondContact O-N 3.15Å; N53-P55 VanDerWaalsContact O-CD 3.23Å; N53-P55 WeakPolarHBondContact O-CD 3.23Å; N53-P55 VanDerWaalsContact O-N 3.08Å |
| 54 | E | 61.2 | Low | 64.6 | Low | 114 Ų | 114 | 122.9 Ų | 122.9 | 53% | 0.533 | 60% | 0.597 | S | S | . | * | trans | -60.6 | 116.9 | 173.9 | -164.9 | 173.2 | 178.7 | 0 | 0 | 108.1 | L50 Q56 R57 | L50-E54 PolarHBondContact O-N 3.43Å; E54-Q56 PolarHBondContact O-N 3.4Å; E54-R57 IonicContact OE1-NH2 3.62Å | ||
| 55 | P | 51.3 | Low | 64.4 | Low | 91 Ų | 91 | 120.8 Ų | 120.8 | 59% | 0.591 | 59% | 0.593 | S | S | * | * | trans | -59.9 | 126.4 | 179.3 | 21.6 | -29.3 | 0 | 0 | 0 | 107.6 | N53 R57 | N53-P55 VanDerWaalsContact O-CD 3.23Å; N53-P55 WeakPolarHBondContact O-CD 3.23Å; N53-P55 VanDerWaalsContact O-N 3.08Å; P55-R57 PolarHBondContact O-N 3.24Å | ||
| 56 | Q | 54 | Low | 64.4 | Low | 190 Ų | 190 | 119.5 Ų | 119.5 | 89% | 0.888 | 59% | 0.59 | S | S | * | * | trans | -57.1 | 109.8 | 174.4 | -73 | -151.4 | 10.8 | 0 | 0 | 107.9 | E54 P58 | E54-Q56 PolarHBondContact O-N 3.4Å; Q56-P58 WeakPolarHBondContact O-CD 3.06Å; Q56-P58 VanDerWaalsContact O-N 3.1Å | ||
| 57 | R | 54.1 | Low | 64.9 | Low | 206 Ų | 206 | 122.8 Ų | 122.8 | 78% | 0.777 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 121.7 | 177.6 | -75.6 | -170.7 | -168.6 | 108.9 | 14.6 | 107.5 | E54 P55 | E54-R57 IonicContact OE1-NH2 3.62Å; P55-R57 PolarHBondContact O-N 3.24Å |
| 58 | P | 55.8 | Low | 65.4 | Low | 111 Ų | 111 | 118.5 Ų | 118.5 | 72% | 0.721 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 138.7 | 174.9 | 22.4 | -30.4 | 0 | 0 | 0 | 108.2 | Q56 | Q56-P58 WeakPolarHBondContact O-CD 3.06Å; Q56-P58 VanDerWaalsContact O-N 3.1Å |
| 59 | P | 52.4 | Low | 66 | Low | 112 Ų | 112 | 120.5 Ų | 120.5 | 73% | 0.727 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 134.4 | 177.7 | 22.9 | -31.7 | 0 | 0 | 0 | 108.7 | Q61 | P59-Q61 PolarHBondContact O-N 3.14Å; P59-Q61 VanDerWaalsContact O-N 3.17Å |
| 60 | P | 56.1 | Low | 66.7 | Low | 77 Ų | 77 | 124.3 Ų | 124.3 | 50% | 0.5 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 124.1 | -175.8 | 21.6 | -31.9 | 0 | 0 | 0 | 109.8 | Y62 P63 I66 | P60-Y62 PolarHBondContact O-N 3.34Å; P60-P63 HydrophobicContact CG-CB 4.48Å; P60-P63 WeakPolarHBondContact O-CD 3.24Å; P60-I66 HydrophobicContact CB-CD1 3.65Å |
| 61 | Q | 63.2 | Low | 67.8 | Low | 175 Ų | 175 | 124.4 Ų | 124.4 | 82% | 0.818 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -61.8 | -17.6 | -175.5 | -82 | 174.2 | -8.5 | 0 | 0 | 113.6 | P59 | P59-Q61 PolarHBondContact O-N 3.14Å; P59-Q61 VanDerWaalsContact O-N 3.17Å |
| 62 | Y | 61.3 | Low | 68.6 | Low | 154 Ų | 154 | 122.8 Ų | 122.8 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | trans | -144.6 | 82 | 174.3 | -61.6 | -79.6 | 0 | 0 | 0 | 111.7 | P60 L64 L65 I66 | P60-Y62 PolarHBondContact O-N 3.34Å; Y62-L64 PolarHBondContact O-N 2.89Å; Y62-L65 HydrophobicContact CD1-CD1 4.32Å; Y62-L65 HydrophobicContact CG-CD1 3.98Å; Y62-L65 PolarHBondContact O-N 3.21Å; Y62-I66 PolarHBondContact O-N 3.02Å | ||
| 63 | P | 68.6 | Low | 69.5 | Low | 78 Ų | 78 | 116.7 Ų | 116.7 | 51% | 0.506 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.5 | -31.2 | -176.8 | 25 | -33 | 0 | 0 | 0 | 112.3 | P60 V67 | P60-P63 HydrophobicContact CG-CB 4.48Å; P60-P63 WeakPolarHBondContact O-CD 3.24Å; P63-V67 VanDerWaalsContact O-CG2 3.25Å; P63-V67 WeakPolarHBondContact O-CG2 3.32Å; P63-V67 PolarHBondContact O-N 2.92Å |
| 64 | L | 70.9 | Confident | 71 | Confident | 141 Ų | 141 | 116 Ų | 116 | 74% | 0.738 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.3 | -41.1 | 179.6 | -66.2 | 174.4 | 0 | 0 | 0 | 112.8 | Y62 I66 V67 V68 | Y62-L64 PolarHBondContact O-N 2.89Å; L64-I66 VanDerWaalsContact C-N 3.33Å; L64-I66 PolarHBondContact O-N 3.29Å; L64-V67 PolarHBondContact O-N 3.23Å; L64-V68 VanDerWaalsContact O-CG2 3.27Å; L64-V68 WeakPolarHBondContact O-CG2 3.42Å; L64-V68 PolarHBondContact O-N 2.66Å |
| 65 | L | 73.3 | Confident | 72.4 | Confident | 114 Ų | 114 | 115 Ų | 115 | 60% | 0.597 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65 | -38.7 | 178.7 | -81 | 168.4 | 0 | 0 | 0 | 111.8 | Y62 V67 V68 Y69 | Y62-L65 HydrophobicContact CD1-CD1 4.32Å; Y62-L65 HydrophobicContact CG-CD1 3.98Å; Y62-L65 PolarHBondContact O-N 3.21Å; L65-V67 VanDerWaalsContact C-N 3.35Å; L65-V68 PolarHBondContact O-N 3.08Å; L65-Y69 WeakPolarHBondContact O-CB 3.4Å; L65-Y69 PolarHBondContact O-N 3.5Å |
| 66 | I | 74.4 | Confident | 74.2 | Confident | 77 Ų | 77 | 112.5 Ų | 112.5 | 40% | 0.395 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66 | -40.1 | 176.6 | -63.1 | 170.8 | 0 | 0 | 0 | 110.8 | P60 Y62 L64 K70 | P60-I66 HydrophobicContact CB-CD1 3.65Å; Y62-I66 PolarHBondContact O-N 3.02Å; L64-I66 VanDerWaalsContact C-N 3.33Å; L64-I66 PolarHBondContact O-N 3.29Å; I66-K70 HydrophobicContact CG2-CD 4.35Å; I66-K70 WeakPolarHBondContact O-CB 3.31Å; I66-K70 VanDerWaalsContact O-CG 3.32Å; I66-K70 WeakPolarHBondContact O-CG 2.99Å; I66-K70 PolarHBondContact O-N 2.91Å |
| 67 | V | 82.3 | Confident | 75.8 | Confident | 87 Ų | 87 | 108.9 Ų | 108.9 | 53% | 0.527 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.2 | -46 | 176.4 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | P63 L64 L65 Y69 K70 V71 | P63-V67 VanDerWaalsContact O-CG2 3.25Å; P63-V67 WeakPolarHBondContact O-CG2 3.32Å; P63-V67 PolarHBondContact O-N 2.92Å; L64-V67 PolarHBondContact O-N 3.23Å; L65-V67 VanDerWaalsContact C-N 3.35Å; V67-Y69 PolarHBondContact O-N 2.89Å; V67-K70 PolarHBondContact O-N 2.83Å; V67-V71 HydrophobicContact CG1-CG2 4.46Å; V67-V71 VanDerWaalsContact O-CG2 3.3Å; V67-V71 WeakPolarHBondContact O-CG2 3.34Å; V67-V71 PolarHBondContact O-N 2.98Å |
| 68 | V | 84.2 | Confident | 77.5 | Confident | 81 Ų | 81 | 103.9 Ų | 103.9 | 49% | 0.491 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.2 | -45.4 | 177.9 | 172 | 0 | 0 | 0 | 0 | 111.1 | L64 L65 K70 V71 L72 | L64-V68 VanDerWaalsContact O-CG2 3.27Å; L64-V68 WeakPolarHBondContact O-CG2 3.42Å; L64-V68 PolarHBondContact O-N 2.66Å; L65-V68 PolarHBondContact O-N 3.08Å; V68-K70 PolarHBondContact O-N 3.36Å; V68-V71 PolarHBondContact O-N 3.44Å; V68-L72 HydrophobicContact CG1-CD1 4.01Å; V68-L72 HydrophobicContact CG1-CG 4.48Å; V68-L72 WeakPolarHBondContact O-CG 3.47Å; V68-L72 PolarHBondContact O-N 3.4Å |
| 69 | Y | 85.7 | Confident | 79 | Confident | 170 Ų | 170 | 104 Ų | 104 | 67% | 0.667 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.4 | -44.4 | 175.8 | 174.9 | -101.1 | 0 | 0 | 0 | 112.1 | L65 V67 V71 L72 A73 | L65-Y69 WeakPolarHBondContact O-CB 3.4Å; L65-Y69 PolarHBondContact O-N 3.5Å; V67-Y69 PolarHBondContact O-N 2.89Å; Y69-V71 VanDerWaalsContact C-N 3.32Å; Y69-V71 PolarHBondContact O-N 3.12Å; Y69-L72 PolarHBondContact O-N 2.95Å; Y69-A73 WeakPolarHBondContact O-CB 3.28Å; Y69-A73 PolarHBondContact O-N 3.31Å |
| 70 | K | 86.4 | Confident | 80.4 | Confident | 136 Ų | 136 | 103.2 Ų | 103.2 | 59% | 0.591 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.4 | -40.5 | 176.2 | -79 | -179.5 | 176.7 | -177.5 | 0 | 112.1 | I66 V67 V68 A73 T74 | I66-K70 HydrophobicContact CG2-CD 4.35Å; I66-K70 WeakPolarHBondContact O-CB 3.31Å; I66-K70 VanDerWaalsContact O-CG 3.32Å; I66-K70 WeakPolarHBondContact O-CG 2.99Å; I66-K70 PolarHBondContact O-N 2.91Å; V67-K70 PolarHBondContact O-N 2.83Å; V68-K70 PolarHBondContact O-N 3.36Å; K70-A73 PolarHBondContact O-N 2.77Å; K70-T74 VanDerWaalsContact O-CG2 3.28Å; K70-T74 WeakPolarHBondContact O-CG2 3.35Å; K70-T74 PolarHBondContact O-N 2.94Å; K70-T74 PolarHBondContact O-OG1 2.85Å; K70-T74 VanDerWaalsContact O-OG1 3.05Å |
| 71 | V | 89.7 | Confident | 81.5 | Confident | 84 Ų | 84 | 103.2 Ų | 103.2 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 177.3 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | V67 V68 Y69 T74 L75 | V67-V71 HydrophobicContact CG1-CG2 4.46Å; V67-V71 VanDerWaalsContact O-CG2 3.3Å; V67-V71 WeakPolarHBondContact O-CG2 3.34Å; V67-V71 PolarHBondContact O-N 2.98Å; V68-V71 PolarHBondContact O-N 3.44Å; Y69-V71 VanDerWaalsContact C-N 3.32Å; Y69-V71 PolarHBondContact O-N 3.12Å; V71-T74 WeakPolarHBondContact CA-OG1 2.97Å; V71-T74 PolarHBondContact O-OG1 3.4Å; V71-L75 VanDerWaalsContact O-CB 3.23Å; V71-L75 WeakPolarHBondContact O-CB 3.31Å; V71-L75 PolarHBondContact O-N 3.26Å |
| 72 | L | 88.4 | Confident | 82.5 | Confident | 109 Ų | 109 | 96.4 Ų | 96.4 | 57% | 0.571 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.3 | -41.5 | 176.6 | -71.8 | 171.2 | 0 | 0 | 0 | 111.9 | V68 Y69 L75 G76 | V68-L72 HydrophobicContact CG1-CD1 4.01Å; V68-L72 HydrophobicContact CG1-CG 4.48Å; V68-L72 WeakPolarHBondContact O-CG 3.47Å; V68-L72 PolarHBondContact O-N 3.4Å; Y69-L72 PolarHBondContact O-N 2.95Å; L72-L75 PolarHBondContact O-N 2.95Å; L72-G76 PolarHBondContact O-N 3.02Å |
| 73 | A | 87.6 | Confident | 83.3 | Confident | 51 Ų | 51 | 96 Ų | 96 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y69 K70 G76 L77 | Y69-A73 WeakPolarHBondContact O-CB 3.28Å; Y69-A73 PolarHBondContact O-N 3.31Å; K70-A73 PolarHBondContact O-N 2.77Å; A73-G76 PolarHBondContact O-N 3.13Å; A73-L77 PolarHBondContact O-N 2.9Å |
| 74 | T | 89.6 | Confident | 83.6 | Confident | 79 Ų | 79 | 99 Ų | 99 | 49% | 0.485 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 176.2 | 55.3 | 0 | 0 | 0 | 0 | 111.7 | K70 V71 G76 L77 I78 | K70-T74 VanDerWaalsContact O-CG2 3.28Å; K70-T74 WeakPolarHBondContact O-CG2 3.35Å; K70-T74 PolarHBondContact O-N 2.94Å; K70-T74 PolarHBondContact O-OG1 2.85Å; K70-T74 VanDerWaalsContact O-OG1 3.05Å; V71-T74 WeakPolarHBondContact CA-OG1 2.97Å; V71-T74 PolarHBondContact O-OG1 3.4Å; T74-G76 PolarHBondContact O-N 3.17Å; T74-L77 PolarHBondContact O-N 3.38Å; T74-I78 WeakPolarHBondContact O-CD1 3.46Å; T74-I78 VanDerWaalsContact O-CG1 3.22Å; T74-I78 WeakPolarHBondContact O-CG1 3.21Å; T74-I78 PolarHBondContact O-N 3.31Å |
| 75 | L | 91.3 | Very high | 83.7 | Confident | 93 Ų | 93 | 98 Ų | 98 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 175 | -171.9 | 70.8 | 0 | 0 | 0 | 111.6 | V71 L72 I78 L79 | V71-L75 VanDerWaalsContact O-CB 3.23Å; V71-L75 WeakPolarHBondContact O-CB 3.31Å; V71-L75 PolarHBondContact O-N 3.26Å; L72-L75 PolarHBondContact O-N 2.95Å; L75-I78 PolarHBondContact O-N 3.17Å; L75-L79 HydrophobicContact CG-CD1 4.32Å; L75-L79 WeakPolarHBondContact O-CB 3.27Å; L75-L79 WeakPolarHBondContact O-CG 3.5Å; L75-L79 PolarHBondContact O-N 2.91Å |
| 76 | G | 88.4 | Confident | 83.5 | Confident | 38 Ų | 38 | 98.9 Ų | 98.9 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L72 A73 T74 L79 L80 | L72-G76 PolarHBondContact O-N 3.02Å; A73-G76 PolarHBondContact O-N 3.13Å; T74-G76 PolarHBondContact O-N 3.17Å; G76-L79 PolarHBondContact O-N 3.41Å; G76-L80 WeakPolarHBondContact O-CB 3.13Å; G76-L80 PolarHBondContact O-N 3.14Å |
| 77 | L | 89 | Confident | 82.6 | Confident | 113 Ų | 113 | 100.5 Ų | 100.5 | 59% | 0.592 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.4 | -37.3 | 176.5 | -166.7 | 74.5 | 0 | 0 | 0 | 112.2 | A73 T74 L80 T81 | A73-L77 PolarHBondContact O-N 2.9Å; T74-L77 PolarHBondContact O-N 3.38Å; L77-L80 PolarHBondContact O-N 3.09Å; L77-T81 WeakPolarHBondContact O-CG2 3.38Å; L77-T81 PolarHBondContact O-N 3.02Å; L77-T81 PolarHBondContact O-OG1 3.45Å |
| 78 | I | 88.8 | Confident | 80.9 | Confident | 102 Ų | 102 | 101.1 Ų | 101.1 | 52% | 0.523 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 175.6 | -68 | 163.7 | 0 | 0 | 0 | 110.6 | T74 L75 L80 T81 A82 | T74-I78 WeakPolarHBondContact O-CD1 3.46Å; T74-I78 VanDerWaalsContact O-CG1 3.22Å; T74-I78 WeakPolarHBondContact O-CG1 3.21Å; T74-I78 PolarHBondContact O-N 3.31Å; L75-I78 PolarHBondContact O-N 3.17Å; I78-L80 VanDerWaalsContact C-N 3.33Å; I78-L80 PolarHBondContact O-N 2.86Å; I78-T81 WeakPolarHBondContact CA-OG1 3.33Å; I78-T81 PolarHBondContact O-N 3.29Å; I78-T81 PolarHBondContact O-OG1 3Å; I78-A82 VanDerWaalsContact O-CB 3.24Å; I78-A82 WeakPolarHBondContact O-CB 3.24Å; I78-A82 PolarHBondContact O-N 3.5Å |
| 79 | L | 86.8 | Confident | 79.2 | Confident | 113 Ų | 113 | 107.4 Ų | 107.4 | 59% | 0.592 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.7 | -39.7 | 175.6 | -79.9 | 165.6 | 0 | 0 | 0 | 111.9 | L75 G76 A82 Y83 | L75-L79 HydrophobicContact CG-CD1 4.32Å; L75-L79 WeakPolarHBondContact O-CB 3.27Å; L75-L79 WeakPolarHBondContact O-CG 3.5Å; L75-L79 PolarHBondContact O-N 2.91Å; G76-L79 PolarHBondContact O-N 3.41Å; L79-A82 PolarHBondContact O-N 3.44Å; L79-Y83 VanDerWaalsContact O-CB 3.31Å; L79-Y83 WeakPolarHBondContact O-CB 3.42Å; L79-Y83 PolarHBondContact O-N 3.46Å |
| 80 | L | 82.5 | Confident | 77 | Confident | 95 Ų | 95 | 104.1 Ų | 104.1 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.4 | -47.1 | 176.1 | -166.6 | 80.5 | 0 | 0 | 0 | 111.1 | G76 L77 I78 Y83 F84 | G76-L80 WeakPolarHBondContact O-CB 3.13Å; G76-L80 PolarHBondContact O-N 3.14Å; L77-L80 PolarHBondContact O-N 3.09Å; I78-L80 VanDerWaalsContact C-N 3.33Å; I78-L80 PolarHBondContact O-N 2.86Å; L80-Y83 WeakPolarHBondContact O-CB 3.44Å; L80-Y83 PolarHBondContact O-N 3.43Å; L80-F84 HydrophobicContact CD1-CE2 4.2Å; L80-F84 HydrophobicContact CD2-CE2 4.41Å; L80-F84 HydrophobicContact CG-CD2 4.12Å; L80-F84 HydrophobicContact CG-CE2 3.98Å; L80-F84 VanDerWaalsContact O-CD2 3.24Å; L80-F84 WeakPolarHBondContact O-CD2 3.49Å; L80-F84 PolarHBondContact O-N 2.93Å |
| 81 | T | 80.2 | Confident | 74.8 | Confident | 77 Ų | 77 | 103.5 Ų | 103.5 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.4 | -40.3 | 177.4 | 48.5 | 0 | 0 | 0 | 0 | 111.7 | L77 I78 Y83 F84 V85 | L77-T81 WeakPolarHBondContact O-CG2 3.38Å; L77-T81 PolarHBondContact O-N 3.02Å; L77-T81 PolarHBondContact O-OG1 3.45Å; I78-T81 WeakPolarHBondContact CA-OG1 3.33Å; I78-T81 PolarHBondContact O-N 3.29Å; I78-T81 PolarHBondContact O-OG1 3Å; T81-Y83 VanDerWaalsContact C-N 3.35Å; T81-Y83 PolarHBondContact O-N 3.25Å; T81-F84 PolarHBondContact O-N 3.44Å; T81-V85 WeakPolarHBondContact O-CB 3.47Å; T81-V85 WeakPolarHBondContact O-CG2 3.11Å; T81-V85 PolarHBondContact O-N 3.43Å |
| 82 | A | 82.4 | Confident | 72.5 | Confident | 33 Ų | 33 | 107.8 Ų | 107.8 | 27% | 0.273 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.4 | -41.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | I78 L79 F84 V85 I86 | I78-A82 VanDerWaalsContact O-CB 3.24Å; I78-A82 WeakPolarHBondContact O-CB 3.24Å; I78-A82 PolarHBondContact O-N 3.5Å; L79-A82 PolarHBondContact O-N 3.44Å; A82-F84 PolarHBondContact O-N 2.81Å; A82-V85 PolarHBondContact O-N 3.46Å; A82-I86 HydrophobicContact CB-CD1 4.09Å; A82-I86 VanDerWaalsContact O-CB 3.25Å; A82-I86 WeakPolarHBondContact O-CB 3.46Å; A82-I86 WeakPolarHBondContact O-CD1 3.48Å; A82-I86 WeakPolarHBondContact O-CG1 3.48Å; A82-I86 PolarHBondContact O-N 2.91Å |
| 83 | Y | 79.2 | Confident | 69.9 | Low | 146 Ų | 146 | 106.8 Ų | 106.8 | 57% | 0.573 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -59.9 | -44.3 | 175.5 | 179.9 | -95.4 | 0 | 0 | 0 | 112 | L79 L80 T81 V85 Q87 | L79-Y83 VanDerWaalsContact O-CB 3.31Å; L79-Y83 WeakPolarHBondContact O-CB 3.42Å; L79-Y83 PolarHBondContact O-N 3.46Å; L80-Y83 WeakPolarHBondContact O-CB 3.44Å; L80-Y83 PolarHBondContact O-N 3.43Å; T81-Y83 VanDerWaalsContact C-N 3.35Å; T81-Y83 PolarHBondContact O-N 3.25Å; Y83-V85 VanDerWaalsContact C-N 3.33Å; Y83-V85 PolarHBondContact O-N 3.45Å; Y83-Q87 PolarHBondContact O-N 3.1Å |
| 84 | F | 73.6 | Confident | 67.7 | Low | 140 Ų | 140 | 110.1 Ų | 110.1 | 61% | 0.614 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.6 | -28.5 | 176.2 | -84.3 | -73.3 | 0 | 0 | 0 | 113.8 | L80 T81 A82 | L80-F84 HydrophobicContact CD1-CE2 4.2Å; L80-F84 HydrophobicContact CD2-CE2 4.41Å; L80-F84 HydrophobicContact CG-CD2 4.12Å; L80-F84 HydrophobicContact CG-CE2 3.98Å; L80-F84 VanDerWaalsContact O-CD2 3.24Å; L80-F84 WeakPolarHBondContact O-CD2 3.49Å; L80-F84 PolarHBondContact O-N 2.93Å; T81-F84 PolarHBondContact O-N 3.44Å; A82-F84 PolarHBondContact O-N 2.81Å |
| 85 | V | 73.9 | Confident | 65 | Low | 120 Ų | 120 | 114.4 Ų | 114.4 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -87 | -31.4 | -179.5 | 173.3 | 0 | 0 | 0 | 0 | 112.3 | T81 A82 Y83 | T81-V85 WeakPolarHBondContact O-CB 3.47Å; T81-V85 WeakPolarHBondContact O-CG2 3.11Å; T81-V85 PolarHBondContact O-N 3.43Å; A82-V85 PolarHBondContact O-N 3.46Å; Y83-V85 VanDerWaalsContact C-N 3.33Å; Y83-V85 PolarHBondContact O-N 3.45Å |
| 86 | I | 69 | Low | 62.5 | Low | 132 Ų | 132 | 116.1 Ų | 116.1 | 68% | 0.677 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -87 | -14.6 | -177.2 | -62.1 | 165.3 | 0 | 0 | 0 | 111.8 | A82 P88 | A82-I86 HydrophobicContact CB-CD1 4.09Å; A82-I86 VanDerWaalsContact O-CB 3.25Å; A82-I86 WeakPolarHBondContact O-CB 3.46Å; A82-I86 WeakPolarHBondContact O-CD1 3.48Å; A82-I86 WeakPolarHBondContact O-CG1 3.48Å; A82-I86 PolarHBondContact O-N 2.91Å; I86-P88 WeakPolarHBondContact O-CD 3.42Å; I86-P88 VanDerWaalsContact O-N 3.14Å |
| 87 | Q | 54.9 | Low | 60.1 | Low | 111 Ų | 111 | 118.8 Ų | 118.8 | 52% | 0.519 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -65.9 | 108.2 | 162.1 | -95.5 | -169.8 | -34.2 | 0 | 0 | 108.7 | Y83 F89 | Y83-Q87 PolarHBondContact O-N 3.1Å; Q87-F89 PolarHBondContact O-N 3.3Å |
| 88 | P | 48.3 | Very low | 57.8 | Low | 100 Ų | 100 | 120.9 Ų | 120.9 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | trans | -66.8 | 132.9 | 173.6 | 30.3 | -30.8 | 0 | 0 | 0 | 107.2 | I86 S90 | I86-P88 WeakPolarHBondContact O-CD 3.42Å; I86-P88 VanDerWaalsContact O-N 3.14Å; P88-S90 PolarHBondContact O-N 3.16Å | ||
| 89 | F | 47.9 | Very low | 55.5 | Low | 213 Ų | 213 | 121.7 Ų | 121.7 | 93% | 0.934 | 68% | 0.682 | S | S | * | * | trans | -51.6 | 98.7 | 153.7 | -74 | -87.1 | 0 | 0 | 0 | 107.2 | Q87 P91 | Q87-F89 PolarHBondContact O-N 3.3Å; F89-P91 WeakPolarHBondContact O-CD 3.49Å | ||
| 90 | S | 39.4 | Very low | 53.3 | Low | 102 Ų | 102 | 120 Ų | 120 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 123.6 | 170.4 | -74.2 | 0 | 0 | 0 | 0 | 107.3 | P88 | P88-S90 PolarHBondContact O-N 3.16Š|
| 91 | P | 40.8 | Very low | 51.2 | Low | 122 Ų | 122 | 119.7 Ų | 119.7 | 79% | 0.792 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 139.2 | 175.2 | 28.9 | -31.3 | 0 | 0 | 0 | 108.7 | F89 A93 | F89-P91 WeakPolarHBondContact O-CD 3.49Å; P91-A93 PolarHBondContact O-N 2.89Å |
| 92 | L | 40.4 | Very low | 49.5 | Very low | 174 Ų | 174 | 123 Ų | 123 | 91% | 0.911 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 130.7 | 179.4 | -76 | 89.3 | 0 | 0 | 0 | 112.6 | ||
| 93 | A | 33.8 | Very low | 47.9 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 140.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | P91 | P91-A93 PolarHBondContact O-N 2.89Š|
| 94 | P | 42.4 | Very low | 46.1 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 153.5 | -164.2 | 31.4 | -36.5 | 0 | 0 | 0 | 112.8 | ||
| 95 | E | 32.8 | Very low | 44.5 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -26.2 | 138.4 | -179.9 | -73.8 | -173.2 | 137.6 | 0 | 0 | 116.4 | V97 | E95-V97 HydrophobicContact CB-CG2 4.47Š| ||
| 96 | P | 37.6 | Very low | 43.1 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | -111.8 | 116.1 | 107.3 | 31 | -31.3 | 0 | 0 | 0 | 110.9 | |||||
| 97 | V | 39.2 | Very low | 42.1 | Very low | 95 Ų | 95 | 130 Ų | 130 | 58% | 0.576 | 73% | 0.734 | S | S | * | * | trans | -18.8 | 129.2 | 156.9 | 177.8 | 0 | 0 | 0 | 0 | 114.5 | E95 | E95-V97 HydrophobicContact CB-CG2 4.47Š| ||
| 98 | L | 40.8 | Very low | 41.7 | Very low | 157 Ų | 157 | 131 Ų | 131 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | 87.8 | 101.5 | 159 | -67.8 | 161.3 | 0 | 0 | 0 | 120.4 | ||||
| 99 | S | 40.1 | Very low | 41.5 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | 117.3 | 105.3 | 119.8 | -150.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 100 | G | 40.4 | Very low | 41.4 | Very low | 76 Ų | 76 | 128 Ų | 128 | 78% | 0.784 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 168.9 | -1.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 101 | A | 38.5 | Very low | 41.9 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | trans | -129.7 | 61 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 102 | H | 44.6 | Very low | 42.2 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | trans | -131.6 | 27.3 | 178.2 | -73.4 | -35.1 | 0 | 0 | 0 | 114.7 | ||||
| 103 | T | 48.4 | Very low | 42.5 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -89.3 | -11.7 | -179.3 | 43.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 104 | W | 41.6 | Very low | 42.9 | Very low | 216 Ų | 216 | 134.4 Ų | 134.4 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -113.9 | -12.5 | -176.2 | -71.7 | 93 | 0 | 0 | 0 | 116.4 | ||
| 105 | R | 39.7 | Very low | 43.3 | Very low | 221 Ų | 221 | 132.8 Ų | 132.8 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -94.3 | -15 | 173.4 | -89.6 | -172.3 | -175 | -159.3 | 2.5 | 114.6 | ||
| 106 | S | 44.4 | Very low | 44 | Very low | 57 Ų | 57 | 129.6 Ų | 129.6 | 40% | 0.399 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -74 | -32.5 | -178.8 | 165.6 | 0 | 0 | 0 | 0 | 112.8 | I108 H109 H110 | S106-I108 VanDerWaalsContact C-N 3.28Å; S106-I108 PolarHBondContact O-N 3.16Å; S106-H109 PolarHBondContact O-N 2.77Å; S106-H109 VanDerWaalsContact O-N 3.15Å; S106-H110 PolarHBondContact O-CD2 3.1Å; S106-H110 PolarHBondContact O-N 3.01Å; S106-H110 PolarHBondContact OG-CD2 3.08Å; S106-H110 PolarHBondContact OG-NE2 2.9Å; S106-H110 VanDerWaalsContact OG-NE2 3.11Å |
| 107 | L | 47.6 | Very low | 44.6 | Very low | 114 Ų | 114 | 129 Ų | 129 | 60% | 0.597 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -63.4 | -29.5 | 178.8 | -82.3 | 162 | 0 | 0 | 0 | 113.8 | ||
| 108 | I | 47.9 | Very low | 45 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 68% | 0.677 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -84.1 | -19.9 | 179.4 | -60 | 175.1 | 0 | 0 | 0 | 111.7 | S106 | S106-I108 VanDerWaalsContact C-N 3.28Å; S106-I108 PolarHBondContact O-N 3.16Å |
| 109 | H | 43.2 | Very low | 45 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 62% | 0.62 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -81.3 | -28 | 176.5 | -120.2 | -46 | 0 | 0 | 0 | 113.1 | S106 I111 R112 | S106-H109 PolarHBondContact O-N 2.77Å; S106-H109 VanDerWaalsContact O-N 3.15Å; H109-I111 VanDerWaalsContact C-N 3.35Å; H109-R112 PolarHBondContact O-N 3.3Å |
| 110 | H | 46.4 | Very low | 45 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 54% | 0.537 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -74.9 | -21.5 | 178.6 | -68.8 | -57.5 | 0 | 0 | 0 | 113.9 | S106 R112 | S106-H110 PolarHBondContact O-CD2 3.1Å; S106-H110 PolarHBondContact O-N 3.01Å; S106-H110 PolarHBondContact OG-CD2 3.08Å; S106-H110 PolarHBondContact OG-NE2 2.9Å; S106-H110 VanDerWaalsContact OG-NE2 3.11Å; H110-R112 VanDerWaalsContact C-N 3.32Å |
| 111 | I | 48.8 | Very low | 44.9 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -75.6 | -23.7 | 174.2 | -63 | 171.3 | 0 | 0 | 0 | 111.3 | H109 | H109-I111 VanDerWaalsContact C-N 3.35Š|
| 112 | R | 46.4 | Very low | 45.2 | Very low | 198 Ų | 198 | 140.6 Ų | 140.6 | 75% | 0.747 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -94.3 | -4.7 | -178.2 | -120.2 | 179.2 | -176.7 | 175.8 | 1 | 115.3 | H109 H110 | H109-R112 PolarHBondContact O-N 3.3Å; H110-R112 VanDerWaalsContact C-N 3.32Å |
| 113 | L | 47.9 | Very low | 44.9 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 59% | 0.586 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -94.1 | -11.8 | 176.5 | -94.2 | 153.9 | 0 | 0 | 0 | 113.6 | S115 | L113-S115 VanDerWaalsContact C-N 3.33Š|
| 114 | M | 42.4 | Very low | 44.3 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 85% | 0.847 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 0.7 | 176 | -73.3 | -71.7 | -88.2 | 0 | 0 | 113.8 | ||
| 115 | S | 49.8 | Very low | 44.1 | Very low | 86 Ų | 86 | 139.2 Ų | 139.2 | 60% | 0.601 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 25.3 | -176.3 | 67.9 | 0 | 0 | 0 | 0 | 114.3 | L113 | L113-S115 VanDerWaalsContact C-N 3.33Š|
| 116 | L | 47.7 | Very low | 43.9 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 54% | 0.539 | 69% | 0.69 | S | S | . | * | trans | -107.3 | 129.1 | 172.5 | -71.8 | 173.2 | 0 | 0 | 0 | 111 | I118 T119 | L116-I118 PolarHBondContact O-N 3.45Å; L116-T119 PolarHBondContact O-OG1 2.92Å | ||
| 117 | P | 49.8 | Very low | 43.3 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 74% | 0.74 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 18.7 | -168.3 | 30.5 | -35.4 | 0 | 0 | 0 | 115.2 | ||
| 118 | I | 48.4 | Very low | 42.3 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 67% | 0.672 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -21.3 | -176.7 | -61.2 | 173.5 | 0 | 0 | 0 | 111.9 | L116 K120 K121 | L116-I118 PolarHBondContact O-N 3.45Å; I118-K120 VanDerWaalsContact C-N 3.25Å; I118-K120 PolarHBondContact O-N 2.89Å; I118-K121 PolarHBondContact O-N 3.41Å |
| 119 | T | 40 | Very low | 41.5 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 64% | 0.638 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -74.6 | -12.9 | 174.2 | 44.9 | 0 | 0 | 0 | 0 | 113.6 | L116 K121 | L116-T119 PolarHBondContact O-OG1 2.92Å; T119-K121 VanDerWaalsContact C-N 3.25Å; T119-K121 PolarHBondContact O-N 3.21Å |
| 120 | K | 41.1 | Very low | 41.6 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -76.3 | -7 | 175.9 | -150.7 | 177.5 | -176.2 | 178.9 | 0 | 114 | I118 | I118-K120 VanDerWaalsContact C-N 3.25Å; I118-K120 PolarHBondContact O-N 2.89Å |
| 121 | K | 39.2 | Very low | 40.8 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -92.7 | -15.8 | 179.3 | -160 | 175.7 | -178.4 | -175.9 | 0 | 113.9 | I118 T119 | I118-K121 PolarHBondContact O-N 3.41Å; T119-K121 VanDerWaalsContact C-N 3.25Å; T119-K121 PolarHBondContact O-N 3.21Å |
| 122 | Y | 43.4 | Very low | 39.7 | Very low | 190 Ų | 190 | 144.8 Ų | 144.8 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | 8.9 | -173.1 | -65.8 | -75.5 | 0 | 0 | 0 | 115.4 | ||
| 123 | M | 39.8 | Very low | 38.7 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | trans | -132.9 | 81.9 | 164.1 | -77.8 | -160.5 | 123.3 | 0 | 0 | 109.8 | ||||
| 124 | S | 34.7 | Very low | 37.6 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -105.8 | 95.2 | 152.7 | -167.2 | 0 | 0 | 0 | 0 | 107.2 | N126 | S124-N126 PolarHBondContact O-N 3.25Š| ||
| 125 | E | 38.2 | Very low | 37 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | trans | -12.7 | 117.5 | 149.8 | -166.6 | 175.4 | -177.2 | 0 | 0 | 114.4 | K127 | E125-K127 PolarHBondContact O-N 2.68Š| ||
| 126 | N | 34.2 | Very low | 36.1 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -54.9 | 102.1 | 156.4 | -94.6 | -12.9 | 0 | 0 | 0 | 108.6 | S124 | S124-N126 PolarHBondContact O-N 3.25Š| ||
| 127 | K | 32.1 | Very low | 35.3 | Very low | 184 Ų | 184 | 140.7 Ų | 140.7 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -82.4 | 130.7 | 159.5 | -85.3 | -177.1 | 174.5 | 179.5 | 0 | 108.9 | E125 | E125-K127 PolarHBondContact O-N 2.68Š| ||
| 128 | G | 27.8 | Very low | 34.4 | Very low | 66 Ų | 66 | 146.5 Ų | 146.5 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | trans | -82.8 | 161.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 129 | V | 29.6 | Very low | 33.7 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | 79.6 | 147.8 | 143.3 | -169.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 130 | P | 45.2 | Very low | 33 | Very low | 107 Ų | 107 | 150.8 Ų | 150.8 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | cis | -122.3 | 177.1 | -13.1 | 23.8 | -2.3 | 0 | 0 | 0 | 112.7 | ||||
| 131 | L | 29.6 | Very low | 32.7 | Very low | 177 Ų | 177 | 147 Ų | 147 | 93% | 0.927 | 79% | 0.791 | S | S | * | * | trans | -171.6 | 141.5 | 134.4 | -99.1 | 160.8 | 0 | 0 | 0 | 113.1 | ||||
| 132 | H | 26.9 | Very low | 32.5 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | -100.9 | 142.2 | -179.6 | -147.8 | -29.3 | 0 | 0 | 0 | 108.3 | ||||
| 133 | G | 25 | Very low | 32 | Very low | 71 Ų | 71 | 146.9 Ų | 146.9 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 113.7 | 136.6 | 146 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 134 | G | 25.8 | Very low | 31.7 | Very low | 76 Ų | 76 | 146 Ų | 146 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | 83.6 | 98.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 135 | D | 28.3 | Very low | 32.2 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | 84.6 | 123.4 | 66.1 | -148.9 | 28.7 | 0 | 0 | 0 | 114.6 | |||||
| 136 | E | 31.7 | Very low | 32.1 | Very low | 156 Ų | 156 | 150 Ų | 150 | 73% | 0.729 | 80% | 0.804 | S | S | * | * | trans | 69.7 | 131.7 | 160.8 | -45.2 | -145.9 | 120.7 | 0 | 0 | 125.3 | ||||
| 137 | D | 29.9 | Very low | 32.4 | Very low | 131 Ų | 131 | 153.8 Ų | 153.8 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | 93 | 91.1 | 140.6 | -68.8 | -26.1 | 0 | 0 | 0 | 124.1 | ||||
| 138 | R | 32.4 | Very low | 32.6 | Very low | 236 Ų | 236 | 151.2 Ų | 151.2 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | 56 | 160.8 | 133.8 | -81.9 | -175 | -179.5 | 173 | 2.9 | 121.5 | ||||
| 139 | P | 32.5 | Very low | 32.8 | Very low | 115 Ų | 115 | 157 Ų | 157 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | -116.2 | 135.5 | -62.9 | 31.4 | -13.6 | 0 | 0 | 0 | 110.8 | |||||
| 140 | F | 26.7 | Very low | 32.8 | Very low | 210 Ų | 210 | 156.4 Ų | 156.4 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -79.3 | 142.8 | 170.3 | -87.3 | -91.5 | 0 | 0 | 0 | 110.9 | ||||
| 141 | P | 34.2 | Very low | 32.7 | Very low | 111 Ų | 111 | 158 Ų | 158 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | trans | -78.3 | 136.1 | 178.9 | 31.9 | -31.4 | 0 | 0 | 0 | 111.7 | ||||
| 142 | D | 34.6 | Very low | 32.9 | Very low | 147 Ų | 147 | 156.9 Ų | 156.9 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | 25.5 | 105.2 | 154.3 | -71.1 | -22.7 | 0 | 0 | 0 | 118.8 | ||||
| 143 | F | 32.9 | Very low | 33.9 | Very low | 206 Ų | 206 | 157.2 Ų | 157.2 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -143.1 | 97.5 | 140.3 | -91.6 | -78 | 0 | 0 | 0 | 110.1 | ||||
| 144 | D | 33.6 | Very low | 34.3 | Very low | 153 Ų | 153 | 160.4 Ų | 160.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 172.5 | 161.4 | 141.2 | -89.6 | -17.6 | 0 | 0 | 0 | 107.9 | ||||
| 145 | P | 45.3 | Very low | 35.1 | Very low | 99 Ų | 99 | 165.9 Ų | 165.9 | 64% | 0.643 | 81% | 0.814 | S | S | * | * | cis | -140 | 142.1 | -11.9 | 32.6 | -13.4 | 0 | 0 | 0 | 112.9 | ||||
| 146 | W | 35.5 | Very low | 36.3 | Very low | 258 Ų | 258 | 164.1 Ų | 164.1 | 98% | 0.977 | 81% | 0.813 | S | S | * | * | trans | -108.2 | 65.9 | 174.7 | -65.5 | -14.4 | 0 | 0 | 0 | 114.3 | ||||
| 147 | W | 40.4 | Very low | 37.4 | Very low | 247 Ų | 247 | 163.9 Ų | 163.9 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | trans | -110.9 | 90.6 | 137.7 | -72.3 | -37 | 0 | 0 | 0 | 108.6 | ||||
| 148 | T | 37.4 | Very low | 39 | Very low | 130 Ų | 130 | 163.3 Ų | 163.3 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | trans | 168.6 | 144.3 | 144 | 20.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 149 | K | 31.4 | Very low | 40.4 | Very low | 188 Ų | 188 | 155.5 Ų | 155.5 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | trans | 99.1 | 118 | -178.4 | -64 | -169.4 | 178.2 | -175.1 | 0 | 113.6 | ||||
| 150 | D | 30.3 | Very low | 42 | Very low | 128 Ų | 128 | 152.9 Ų | 152.9 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | cis | -144.2 | 130 | 19.3 | -73.8 | -54.2 | 0 | 0 | 0 | 111.8 | E152 | D150-E152 VanDerWaalsContact C-N 3.3Å; D150-E152 PolarHBondContact O-N 2.95Å | ||
| 151 | C | 42.1 | Very low | 44.1 | Very low | 141 Ų | 141 | 146.9 Ų | 146.9 | 95% | 0.953 | 76% | 0.763 | S | S | * | * | trans | -77.1 | 89.3 | 147.1 | -76.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 152 | E | 34.1 | Very low | 46.1 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | trans | -119.4 | 109.8 | 154.3 | -80.2 | -163.6 | 157.8 | 0 | 0 | 108 | D150 N154 | D150-E152 VanDerWaalsContact C-N 3.3Å; D150-E152 PolarHBondContact O-N 2.95Å; E152-N154 PolarHBondContact O-N 2.96Å; E152-N154 VanDerWaalsContact O-N 3.08Å | ||
| 153 | Q | 46.9 | Very low | 48.1 | Very low | 194 Ų | 194 | 139.8 Ų | 139.8 | 91% | 0.907 | 72% | 0.719 | S | S | * | * | trans | -52.9 | 109.2 | 162.5 | -72.7 | 163.7 | -44.9 | 0 | 0 | 108.1 | ||||
| 154 | N | 35.2 | Very low | 50.3 | Low | 138 Ų | 138 | 131.8 Ų | 131.8 | 74% | 0.738 | 69% | 0.687 | S | S | * | * | trans | -144.3 | 130.5 | 155.9 | -78.9 | -48 | 0 | 0 | 0 | 108.2 | E152 | E152-N154 PolarHBondContact O-N 2.96Å; E152-N154 VanDerWaalsContact O-N 3.08Å | ||
| 155 | E | 41.8 | Very low | 52.3 | Low | 192 Ų | 192 | 124.5 Ų | 124.5 | 90% | 0.897 | 65% | 0.649 | S | S | * | * | trans | -25.6 | 126.6 | -170.7 | -63.4 | 175.8 | 159.7 | 0 | 0 | 116.6 | E157 | E155-E157 PolarHBondContact O-N 3.18Š| ||
| 156 | S | 53.1 | Low | 53.8 | Low | 114 Ų | 114 | 120.2 Ų | 120.2 | 80% | 0.797 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 123.1 | -176.8 | -34.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 157 | E | 55.6 | Low | 55.6 | Low | 151 Ų | 151 | 109.5 Ų | 109.5 | 71% | 0.706 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 133.2 | 157.1 | -74.2 | -171.1 | 156.2 | 0 | 0 | 108.1 | E155 I159 | E155-E157 PolarHBondContact O-N 3.18Å; E157-I159 PolarHBondContact O-N 3.49Å; E157-I159 VanDerWaalsContact O-N 3.09Å |
| 158 | P | 62.7 | Low | 56.8 | Low | 119 Ų | 119 | 103.5 Ų | 103.5 | 77% | 0.773 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 121.5 | -177.5 | 22.9 | -32.1 | 0 | 0 | 0 | 109.2 | P160 | P158-P160 WeakPolarHBondContact O-CD 3.35Š|
| 159 | I | 62.7 | Low | 58.2 | Low | 71 Ų | 71 | 102.7 Ų | 102.7 | 36% | 0.364 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 124.1 | 178.1 | -61 | 162.7 | 0 | 0 | 0 | 107.4 | E157 A161 C163 T164 A167 | E157-I159 PolarHBondContact O-N 3.49Å; E157-I159 VanDerWaalsContact O-N 3.09Å; I159-A161 PolarHBondContact O-N 2.94Å; I159-C163 HydrophobicContact CG2-CB 3.95Å; I159-T164 HydrophobicContact CB-CG2 4.47Å; I159-T164 HydrophobicContact CG2-CG2 3.99Å; I159-A167 HydrophobicContact CD1-CB 3.86Å; I159-A167 HydrophobicContact CG1-CB 4.44Å; I159-A167 HydrophobicContact CG2-CB 3.96Å |
| 160 | P | 66.5 | Low | 60.3 | Low | 60 Ų | 60 | 99 Ų | 99 | 39% | 0.39 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -53.8 | 138.1 | 175.4 | -24.6 | 32.6 | 0 | 0 | 0 | 109.6 | P158 N162 C163 T164 H310 | P158-P160 WeakPolarHBondContact O-CD 3.35Å; P160-N162 PolarHBondContact O-N 3.35Å; P160-C163 PolarHBondContact O-N 2.74Å; P160-T164 PolarHBondContact O-N 3.18Å; P160-H310 WeakPolarHBondContact CD-NE2 3.47Å |
| 161 | A | 70.3 | Confident | 62.8 | Low | 85 Ų | 85 | 94.2 Ų | 94.2 | 70% | 0.702 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -49.9 | -34.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | I159 C163 T164 | I159-A161 PolarHBondContact O-N 2.94Å; A161-C163 PolarHBondContact O-N 3.41Å; A161-T164 PolarHBondContact O-N 3.13Å; A161-T164 PolarHBondContact O-OG1 3.08Å |
| 162 | N | 75.1 | Confident | 64.8 | Low | 105 Ų | 105 | 93 Ų | 93 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -69.6 | -26.2 | 177.6 | -163.2 | 9.7 | 0 | 0 | 0 | 114.3 | P160 H330 | P160-N162 PolarHBondContact O-N 3.35Å; N162-H330 PolarHBondContact O-CD2 2.69Å |
| 163 | C | 78.1 | Confident | 67.2 | Low | 4 Ų | 4 | 89.2 Ų | 89.2 | 3% | 0.027 | 49% | 0.49 | C | S | . | . | G | 310 helix | trans | -94.8 | -3.6 | -179.2 | -58.8 | 0 | 0 | 0 | 0 | 113.2 | I159 P160 A161 G165 C166 A167 C307 | I159-C163 HydrophobicContact CG2-CB 3.95Å; P160-C163 PolarHBondContact O-N 2.74Å; A161-C163 PolarHBondContact O-N 3.41Å; C163-G165 VanDerWaalsContact C-N 3.28Å; C163-G165 PolarHBondContact O-N 3.24Å; C163-C166 PolarHBondContact O-N 3.11Å; C163-C166 PolarHBondContact O-SG 2.95Å; C163-A167 WeakPolarHBondContact O-CB 3.35Å; C163-A167 PolarHBondContact O-N 3.05Å; C163-C307 WeakPolarHBondContact CA-SG 3.22Å; C163-C307 HydrophobicContact CB-CB 3.69Å; C163-C307 WeakPolarHBondContact CB-SG 3.19Å; C163-C307 WeakPolarHBondContact SG-CA 3.33Å; C163-C307 WeakPolarHBondContact SG-CB 3.4Å; C163-C307 CovalentContact SG-SG 2.04Å; C163-C307 PolarHBondContact SG-SG 2.98Å |
| 164 | T | 78.4 | Confident | 69 | Low | 37 Ų | 37 | 80.7 Ų | 80.7 | 23% | 0.227 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -59.8 | -37.2 | -179.1 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | I159 P160 A161 C166 A167 Q168 | I159-T164 HydrophobicContact CB-CG2 4.47Å; I159-T164 HydrophobicContact CG2-CG2 3.99Å; P160-T164 PolarHBondContact O-N 3.18Å; A161-T164 PolarHBondContact O-N 3.13Å; A161-T164 PolarHBondContact O-OG1 3.08Å; T164-C166 VanDerWaalsContact C-N 3.26Å; T164-C166 PolarHBondContact O-N 2.98Å; T164-A167 PolarHBondContact O-N 2.99Å; T164-Q168 WeakPolarHBondContact O-CB 3.33Å; T164-Q168 VanDerWaalsContact O-CG 3.27Å; T164-Q168 WeakPolarHBondContact O-CG 3.4Å; T164-Q168 PolarHBondContact O-N 2.96Å; T164-Q168 VanDerWaalsContact O-N 3.08Å |
| 165 | G | 74.6 | Confident | 71.3 | Confident | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.01 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.8 | -26.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | C163 | C163-G165 VanDerWaalsContact C-N 3.28Å; C163-G165 PolarHBondContact O-N 3.24Å |
| 166 | C | 77.7 | Confident | 73.2 | Confident | 9 Ų | 9 | 72.5 Ų | 72.5 | 6% | 0.061 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -99.6 | -25.4 | 175.4 | 65.3 | 0 | 0 | 0 | 0 | 113.6 | C163 T164 C311 W331 | C163-C166 PolarHBondContact O-N 3.11Å; C163-C166 PolarHBondContact O-SG 2.95Å; T164-C166 VanDerWaalsContact C-N 3.26Å; T164-C166 PolarHBondContact O-N 2.98Å; C166-C311 HydrophobicContact CB-CB 3.65Å; C166-C311 WeakPolarHBondContact CB-SG 3.4Å; C166-C311 WeakPolarHBondContact SG-CB 3.28Å; C166-C311 CovalentContact SG-SG 2.03Å; C166-C311 PolarHBondContact SG-SG 3.45Å; C166-W331 HydrophobicContact CB-CD2 4.37Å; C166-W331 HydrophobicContact CB-CH2 3.93Å; C166-W331 HydrophobicContact CB-CZ2 3.33Å |
| 167 | A | 73.6 | Confident | 74.3 | Confident | 32 Ų | 32 | 76 Ų | 76 | 26% | 0.264 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -87.3 | -26.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I159 C163 T164 H310 C311 | I159-A167 HydrophobicContact CD1-CB 3.86Å; I159-A167 HydrophobicContact CG1-CB 4.44Å; I159-A167 HydrophobicContact CG2-CB 3.96Å; C163-A167 WeakPolarHBondContact O-CB 3.35Å; C163-A167 PolarHBondContact O-N 3.05Å; T164-A167 PolarHBondContact O-N 2.99Å; A167-H310 HydrophobicContact CB-CB 4.19Å; A167-C311 PolarHBondContact N-SG 2.84Å |
| 168 | Q | 65.8 | Low | 75.4 | Confident | 121 Ų | 121 | 74 Ų | 74 | 57% | 0.565 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -75 | -38.2 | -171.2 | -77.8 | -179 | 4.4 | 0 | 0 | 114.3 | T164 | T164-Q168 WeakPolarHBondContact O-CB 3.33Å; T164-Q168 VanDerWaalsContact O-CG 3.27Å; T164-Q168 WeakPolarHBondContact O-CG 3.4Å; T164-Q168 PolarHBondContact O-N 2.96Å; T164-Q168 VanDerWaalsContact O-N 3.08Å |
| 169 | K | 66.8 | Low | 75.9 | Confident | 113 Ų | 113 | 69.2 Ų | 69.2 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -149.9 | 140.8 | -178.7 | -65.1 | -174.2 | -173.2 | 165.8 | 0 | 112.2 | ||
| 170 | P | 74.6 | Confident | 76.2 | Confident | 111 Ų | 111 | 67.8 Ų | 67.8 | 72% | 0.721 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 168.6 | 176.9 | 30.8 | -35.6 | 0 | 0 | 0 | 112.2 | K172 | P170-K172 PolarHBondContact O-N 3.29Š|
| 171 | L | 82.4 | Confident | 76.3 | Confident | 28 Ų | 28 | 76.1 Ų | 76.1 | 15% | 0.147 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -48.3 | 123.7 | 171.6 | 174.7 | 63.1 | 0 | 0 | 0 | 111.2 | V173 P188 V190 L299 L301 V314 M316 | L171-V173 HydrophobicContact CD2-CG2 4.49Å; L171-V173 HydrophobicContact CG-CG2 4.33Å; L171-P188 HydrophobicContact CD1-CB 3.87Å; L171-P188 HydrophobicContact CD1-CG 4.35Å; L171-V190 HydrophobicContact CD1-CG2 4.11Å; L171-L299 HydrophobicContact CD2-CD2 4.49Å; L171-L301 HydrophobicContact CD1-CD1 3.9Å; L171-L301 HydrophobicContact CD2-CD1 4.26Å; L171-L301 HydrophobicContact CG-CD1 4.5Å; L171-V314 HydrophobicContact CB-CG1 4.12Å; L171-V314 HydrophobicContact CD2-CG1 3.7Å; L171-M316 HydrophobicContact CD2-CG 3.88Å; L171-M316 HydrophobicContact CD2-SD 3.57Å; L171-M316 VanDerWaalsContact CD2-SD 3.57Å |
| 172 | K | 84.4 | Confident | 76.2 | Confident | 114 Ų | 114 | 80.7 Ų | 80.7 | 50% | 0.496 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.8 | 176.8 | -168.3 | 176.6 | -170.4 | -171 | 0 | 109.3 | P170 M174 P188 L189 V190 | P170-K172 PolarHBondContact O-N 3.29Å; K172-M174 HydrophobicContact CD-CE 3.77Å; K172-M174 HydrophobicContact CG-CE 4.27Å; K172-P188 PolarHBondContact N-O 3.48Å; K172-L189 HydrophobicContact CB-CD1 3.75Å; K172-L189 HydrophobicContact CD-CD1 4Å; K172-L189 HydrophobicContact CG-CD1 3.92Å; K172-L189 CarbonylContact O-C 3.54Å; K172-L189 WeakPolarHBondContact O-CA 3.43Å; K172-L189 WeakPolarHBondContact O-CD1 3.49Å; K172-V190 PolarHBondContact O-N 2.82Å |
| 173 | V | 84.7 | Confident | 75.9 | Confident | 75 Ų | 75 | 77.5 Ų | 77.5 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.4 | 171.2 | -174.5 | 0 | 0 | 0 | 0 | 107.8 | L171 V190 K192 M316 | L171-V173 HydrophobicContact CD2-CG2 4.49Å; L171-V173 HydrophobicContact CG-CG2 4.33Å; V173-V190 CarbonylContact C-O 3.59Å; V173-V190 WeakPolarHBondContact CA-O 3.41Å; V173-V190 HydrophobicContact CG2-CB 4.47Å; V173-K192 HydrophobicContact CG1-CG 3.93Å; V173-M316 HydrophobicContact CG2-SD 3.86Å |
| 174 | M | 85.2 | Confident | 75.7 | Confident | 15 Ų | 15 | 82.8 Ų | 82.8 | 7% | 0.074 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 160.7 | -177.6 | 57.7 | 171.9 | 36.5 | 0 | 0 | 112.5 | K172 D178 P180 L189 V190 I191 K192 | K172-M174 HydrophobicContact CD-CE 3.77Å; K172-M174 HydrophobicContact CG-CE 4.27Å; M174-D178 HydrophobicContact CB-CB 4.36Å; M174-D178 VanDerWaalsContact CE-O 3.31Å; M174-D178 WeakPolarHBondContact CE-O 3.44Å; M174-P180 WeakPolarHBondContact SD-CD 3.49Å; M174-L189 HydrophobicContact CE-CD1 4.02Å; M174-L189 HydrophobicContact CG-CD1 3.85Å; M174-L189 HydrophobicContact CG-CG 4.47Å; M174-L189 HydrophobicContact SD-CD1 3.68Å; M174-L189 HydrophobicContact SD-CD2 4.13Å; M174-L189 HydrophobicContact SD-CG 4.32Å; M174-V190 PolarHBondContact N-O 3.39Å; M174-I191 HydrophobicContact CG-CG1 4.19Å; M174-I191 CarbonylContact O-C 3.6Å; M174-I191 WeakPolarHBondContact O-CA 3.43Å; M174-I191 HydrophobicContact SD-CG1 4.47Å; M174-K192 PolarHBondContact O-N 2.94Å |
| 175 | L | 83.9 | Confident | 75.4 | Confident | 102 Ų | 102 | 86.7 Ų | 86.7 | 53% | 0.534 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 159.8 | 171 | -65.1 | 168.6 | 0 | 0 | 0 | 110.3 | E177 D178 K192 | L175-E177 PolarHBondContact O-N 3.23Å; L175-D178 PolarHBondContact O-N 2.82Å; L175-D178 VanDerWaalsContact O-N 3.08Å; L175-K192 HydrophobicContact CD2-CB 4.01Å |
| 176 | L | 80.4 | Confident | 75.2 | Confident | 56 Ų | 56 | 90.1 Ų | 90.1 | 29% | 0.293 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -54.6 | -35 | 178 | -178 | 61.4 | 0 | 0 | 0 | 113.2 | D178 A179 I191 K192 V255 L259 | L176-D178 VanDerWaalsContact C-N 3.31Å; L176-D178 PolarHBondContact O-N 3.21Å; L176-A179 VanDerWaalsContact O-CB 3.26Å; L176-A179 WeakPolarHBondContact O-CB 3.35Å; L176-A179 PolarHBondContact O-N 3.46Å; L176-I191 HydrophobicContact CB-CG2 4.36Å; L176-I191 HydrophobicContact CD1-CG2 4.29Å; L176-K192 PolarHBondContact N-O 3.11Å; L176-V255 HydrophobicContact CD1-CG1 3.71Å; L176-V255 HydrophobicContact CD2-CG1 4.1Å; L176-L259 HydrophobicContact CD1-CD2 3.43Å; L176-L259 VanDerWaalsContact CD1-CD2 3.43Å; L176-L259 HydrophobicContact CD1-CG 3.96Å |
| 177 | E | 77.3 | Confident | 75.2 | Confident | 188 Ų | 188 | 91.1 Ų | 91.1 | 88% | 0.879 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -69.2 | -28.8 | -179.6 | -59.5 | -173 | 172.9 | 0 | 0 | 113 | L175 A179 | L175-E177 PolarHBondContact O-N 3.23Å; E177-A179 VanDerWaalsContact C-N 3.29Å; E177-A179 PolarHBondContact O-N 2.05Å |
| 178 | D | 79.2 | Confident | 75.8 | Confident | 107 Ų | 107 | 89.7 Ų | 89.7 | 57% | 0.572 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -90.8 | 8.9 | -179.5 | -63.3 | -44.4 | 0 | 0 | 0 | 112.9 | M174 L175 L176 | M174-D178 HydrophobicContact CB-CB 4.36Å; M174-D178 VanDerWaalsContact CE-O 3.31Å; M174-D178 WeakPolarHBondContact CE-O 3.44Å; L175-D178 PolarHBondContact O-N 2.82Å; L175-D178 VanDerWaalsContact O-N 3.08Å; L176-D178 VanDerWaalsContact C-N 3.31Å; L176-D178 PolarHBondContact O-N 3.21Å |
| 179 | A | 72.2 | Confident | 76.9 | Confident | 19 Ų | 19 | 84.8 Ų | 84.8 | 16% | 0.157 | 41% | 0.407 | C | S | . | . | trans | -60 | 127.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L176 E177 L259 P260 | L176-A179 VanDerWaalsContact O-CB 3.26Å; L176-A179 WeakPolarHBondContact O-CB 3.35Å; L176-A179 PolarHBondContact O-N 3.46Å; E177-A179 VanDerWaalsContact C-N 3.29Å; E177-A179 PolarHBondContact O-N 2.05Å; A179-L259 HydrophobicContact CB-CD2 4.24Å; A179-P260 HydrophobicContact CB-CG 4.44Å | ||
| 180 | P | 69.8 | Low | 77.9 | Confident | 42 Ų | 42 | 79.4 Ų | 79.4 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | trans | -70.7 | 138 | -173.8 | 30.1 | -35.8 | 0 | 0 | 0 | 110.4 | M174 K182 | M174-P180 WeakPolarHBondContact SD-CD 3.49Å; P180-K182 WeakPolarHBondContact CB-O 3.41Å; P180-K182 PolarHBondContact O-N 2.77Å | ||
| 181 | R | 67.8 | Low | 78.6 | Confident | 234 Ų | 234 | 74.7 Ų | 74.7 | 88% | 0.883 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -66.5 | -23.2 | 176.7 | -63.9 | -175.6 | -178.6 | -176.1 | 0.6 | 113.3 | ||
| 182 | K | 67.7 | Low | 78.8 | Confident | 181 Ų | 181 | 75.1 Ų | 75.1 | 79% | 0.787 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -120.5 | 132.7 | 175.9 | -71.2 | -174.4 | -180 | -179.2 | 0 | 108.9 | P180 | P180-K182 WeakPolarHBondContact CB-O 3.41Å; P180-K182 PolarHBondContact O-N 2.77Å |
| 183 | F | 69.9 | Low | 78.6 | Confident | 39 Ų | 39 | 70.6 Ų | 70.6 | 17% | 0.171 | 34% | 0.335 | C | S | . | . | trans | -95.1 | 118.2 | -178.9 | -177 | -110.9 | 0 | 0 | 0 | 112.2 | R185 F261 Y325 | F183-R185 HydrophobicContact CD1-CB 4.36Å; F183-R185 HydrophobicContact CD1-CG 3.54Å; F183-R185 HydrophobicContact CE1-CB 4.15Å; F183-R185 HydrophobicContact CE1-CG 3.55Å; F183-R185 PolarHBondContact O-N 3.35Å; F183-F261 HydrophobicContact CB-CB 3.89Å; F183-F261 HydrophobicContact CB-CD1 3.57Å; F183-F261 HydrophobicContact CB-CD2 3.21Å; F183-F261 HydrophobicContact CB-CE1 4Å; F183-F261 HydrophobicContact CB-CE2 3.64Å; F183-F261 HydrophobicContact CB-CG 3.2Å; F183-F261 HydrophobicContact CB-CZ 4.04Å; F183-F261 AromaticContact CD1-CD1 3.76Å; F183-F261 HydrophobicContact CD1-CD1 3.76Å; F183-F261 AromaticContact CD1-CD2 3.75Å; F183-F261 HydrophobicContact CD1-CD2 3.75Å; F183-F261 AromaticContact CD1-CE1 3.24Å; F183-F261 HydrophobicContact CD1-CE1 3.24Å; F183-F261 AromaticContact CD1-CE2 3.19Å; F183-F261 HydrophobicContact CD1-CE2 3.19Å; F183-F261 HydrophobicContact CD1-CG 4.03Å; F183-F261 AromaticContact CD1-CZ 2.93Å; F183-F261 HydrophobicContact CD1-CZ 2.93Å; F183-F261 AromaticContact CD2-CD1 3.08Å; F183-F261 HydrophobicContact CD2-CD1 3.08Å; F183-F261 HydrophobicContact CD2-CD2 4.3Å; F183-F261 AromaticContact CD2-CE1 3.22Å; F183-F261 HydrophobicContact CD2-CE1 3.22Å; F183-F261 HydrophobicContact CD2-CE2 4.37Å; F183-F261 AromaticContact CD2-CG 3.73Å; F183-F261 HydrophobicContact CD2-CG 3.73Å; F183-F261 AromaticContact CD2-CZ 3.9Å; F183-F261 HydrophobicContact CD2-CZ 3.9Å; F183-F261 HydrophobicContact CE1-CD1 4.01Å; F183-F261 AromaticContact CE1-CE1 3.1Å; F183-F261 HydrophobicContact CE1-CE1 3.1Å; F183-F261 AromaticContact CE1-CE2 3.7Å; F183-F261 HydrophobicContact CE1-CE2 3.7Å; F183-F261 AromaticContact CE1-CZ 2.91Å; F183-F261 HydrophobicContact CE1-CZ 2.91Å; F183-F261 AromaticContact CE2-CD1 3.42Å; F183-F261 HydrophobicContact CE2-CD1 3.42Å; F183-F261 VanDerWaalsContact CE2-CD1 3.42Å; F183-F261 AromaticContact CE2-CE1 3.12Å; F183-F261 HydrophobicContact CE2-CE1 3.12Å; F183-F261 HydrophobicContact CE2-CG 4.44Å; F183-F261 AromaticContact CE2-CZ 3.91Å; F183-F261 HydrophobicContact CE2-CZ 3.91Å; F183-F261 HydrophobicContact CG-CB 4.45Å; F183-F261 AromaticContact CG-CD1 3.19Å; F183-F261 HydrophobicContact CG-CD1 3.19Å; F183-F261 AromaticContact CG-CD2 3.53Å; F183-F261 HydrophobicContact CG-CD2 3.53Å; F183-F261 AromaticContact CG-CE1 3.2Å; F183-F261 HydrophobicContact CG-CE1 3.2Å; F183-F261 AromaticContact CG-CE2 3.5Å; F183-F261 HydrophobicContact CG-CE2 3.5Å; F183-F261 VanDerWaalsContact CG-CE2 3.5Å; F183-F261 AromaticContact CG-CG 3.41Å; F183-F261 HydrophobicContact CG-CG 3.41Å; F183-F261 VanDerWaalsContact CG-CG 3.41Å; F183-F261 AromaticContact CG-CZ 3.36Å; F183-F261 HydrophobicContact CG-CZ 3.36Å; F183-F261 AromaticContact CZ-CD1 3.78Å; F183-F261 HydrophobicContact CZ-CD1 3.78Å; F183-F261 AromaticContact CZ-CE1 2.96Å; F183-F261 HydrophobicContact CZ-CE1 2.96Å; F183-F261 HydrophobicContact CZ-CE2 4.4Å; F183-F261 AromaticContact CZ-CZ 3.36Å; F183-F261 HydrophobicContact CZ-CZ 3.36Å; F183-Y325 HydrophobicContact CE1-CD1 4.02Å; F183-Y325 HydrophobicContact CE1-CD2 4.26Å; F183-Y325 AromaticContact CE1-CE1 3.5Å; F183-Y325 HydrophobicContact CE1-CE1 3.5Å; F183-Y325 AromaticContact CE1-CE2 3.8Å; F183-Y325 HydrophobicContact CE1-CE2 3.8Å; F183-Y325 HydrophobicContact CE1-CG 4.34Å; F183-Y325 AromaticContact CE1-CZ 3.36Å; F183-Y325 AromaticContact CE2-CD1 3.74Å; F183-Y325 HydrophobicContact CE2-CD1 3.74Å; F183-Y325 HydrophobicContact CE2-CE1 4.05Å; F183-Y325 AromaticContact CE2-CG 3.98Å; F183-Y325 HydrophobicContact CE2-CG 3.98Å; F183-Y325 AromaticContact CZ-CD1 3.11Å; F183-Y325 HydrophobicContact CZ-CD1 3.11Å; F183-Y325 AromaticContact CZ-CD2 3.57Å; F183-Y325 HydrophobicContact CZ-CD2 3.57Å; F183-Y325 AromaticContact CZ-CE1 3.08Å; F183-Y325 HydrophobicContact CZ-CE1 3.08Å; F183-Y325 AromaticContact CZ-CE2 3.57Å; F183-Y325 HydrophobicContact CZ-CE2 3.57Å; F183-Y325 AromaticContact CZ-CG 3.32Å; F183-Y325 HydrophobicContact CZ-CG 3.32Å; F183-Y325 AromaticContact CZ-CZ 3.3Å | ||
| 184 | E | 72.9 | Confident | 77.9 | Confident | 114 Ų | 114 | 70.2 Ų | 70.2 | 53% | 0.533 | 35% | 0.346 | S | S | . | . | trans | -92.6 | 96 | 174 | -65.9 | 179 | -179.5 | 0 | 0 | 108.9 | L186 H187 | E184-L186 PolarHBondContact O-N 2.84Å; E184-H187 VanDerWaalsContact CB-ND1 3.31Å; E184-H187 WeakPolarHBondContact CB-ND1 3.42Å; E184-H187 PolarHBondContact O-N 3.37Å; E184-H187 IonicContact OE2-CE1 2.98Å; E184-H187 PolarHBondContact OE2-CE1 3.25Å; E184-H187 IonicContact OE2-ND1 2.83Å; E184-H187 PolarHBondContact OE2-ND1 2.79Å | ||
| 185 | R | 72.6 | Confident | 77.3 | Confident | 119 Ų | 119 | 76.7 Ų | 76.7 | 45% | 0.449 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -21.9 | -177 | -67.8 | -176.5 | 175.3 | 172.5 | -1.9 | 115.1 | F183 H187 Y325 S327 | F183-R185 HydrophobicContact CD1-CB 4.36Å; F183-R185 HydrophobicContact CD1-CG 3.54Å; F183-R185 HydrophobicContact CE1-CB 4.15Å; F183-R185 HydrophobicContact CE1-CG 3.55Å; F183-R185 PolarHBondContact O-N 3.35Å; R185-H187 VanDerWaalsContact C-N 3.29Å; R185-Y325 WeakPolarHBondContact CB-OH 3.27Å; R185-Y325 VanDerWaalsContact O-CE1 3.3Å; R185-Y325 WeakPolarHBondContact O-CE1 3.3Å; R185-Y325 PolarHBondContact O-OH 3.24Å; R185-S327 WeakPolarHBondContact O-CB 3.41Å |
| 186 | L | 69.8 | Low | 76.8 | Confident | 74 Ų | 74 | 76 Ų | 76 | 39% | 0.387 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -22.2 | -179.2 | -65.4 | 173.1 | 0 | 0 | 0 | 112.3 | E184 H330 | E184-L186 PolarHBondContact O-N 2.84Å; L186-H330 WeakPolarHBondContact CD2-CE1 3.45Å |
| 187 | H | 78.6 | Confident | 76.4 | Confident | 30 Ų | 30 | 75.4 Ų | 75.4 | 14% | 0.139 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -97.9 | 123.2 | -171.5 | -61.5 | 109.7 | 0 | 0 | 0 | 111.4 | E184 R185 L189 | E184-H187 VanDerWaalsContact CB-ND1 3.31Å; E184-H187 WeakPolarHBondContact CB-ND1 3.42Å; E184-H187 PolarHBondContact O-N 3.37Å; E184-H187 IonicContact OE2-CE1 2.98Å; E184-H187 PolarHBondContact OE2-CE1 3.25Å; E184-H187 IonicContact OE2-ND1 2.83Å; E184-H187 PolarHBondContact OE2-ND1 2.79Å; R185-H187 VanDerWaalsContact C-N 3.29Å; H187-L189 PolarHBondContact O-N 3.48Å |
| 188 | P | 86.1 | Confident | 76.3 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | trans | -67.1 | 135 | 171.3 | 27.6 | -30.4 | 0 | 0 | 0 | 109.5 | L171 K172 L301 Y325 A326 W331 | L171-P188 HydrophobicContact CD1-CB 3.87Å; L171-P188 HydrophobicContact CD1-CG 4.35Å; K172-P188 PolarHBondContact N-O 3.48Å; P188-L301 HydrophobicContact CB-CD1 3.78Å; P188-L301 HydrophobicContact CG-CD1 4.32Å; P188-Y325 CarbonylContact C-O 3.56Å; P188-Y325 VanDerWaalsContact CA-O 3.26Å; P188-Y325 WeakPolarHBondContact CA-O 3.49Å; P188-A326 HydrophobicContact CB-CB 3.99Å; P188-W331 HydrophobicContact CG-CZ2 4.26Å | ||
| 189 | L | 88.5 | Confident | 75.9 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 9% | 0.094 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 137.6 | -172.6 | -173 | 71.7 | 0 | 0 | 0 | 109.8 | K172 M174 H187 I191 G324 Y325 | K172-L189 HydrophobicContact CB-CD1 3.75Å; K172-L189 HydrophobicContact CD-CD1 4Å; K172-L189 HydrophobicContact CG-CD1 3.92Å; K172-L189 CarbonylContact O-C 3.54Å; K172-L189 WeakPolarHBondContact O-CA 3.43Å; K172-L189 WeakPolarHBondContact O-CD1 3.49Å; M174-L189 HydrophobicContact CE-CD1 4.02Å; M174-L189 HydrophobicContact CG-CD1 3.85Å; M174-L189 HydrophobicContact CG-CG 4.47Å; M174-L189 HydrophobicContact SD-CD1 3.68Å; M174-L189 HydrophobicContact SD-CD2 4.13Å; M174-L189 HydrophobicContact SD-CG 4.32Å; H187-L189 PolarHBondContact O-N 3.48Å; L189-I191 HydrophobicContact CD2-CD1 3.99Å; L189-I191 HydrophobicContact CD2-CG1 3.9Å; L189-I191 HydrophobicContact CG-CG1 4.14Å; L189-G324 CarbonylContact O-C 3.58Å; L189-G324 VanDerWaalsContact O-CA 3.31Å; L189-G324 WeakPolarHBondContact O-CA 3.37Å; L189-Y325 PolarHBondContact N-O 3.05Å; L189-Y325 PolarHBondContact O-N 3.19Å |
| 190 | V | 88.9 | Confident | 76 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.8 | 166.5 | 173.5 | 0 | 0 | 0 | 0 | 108.7 | L171 K172 V173 M174 F290 L299 M316 D322 I323 | L171-V190 HydrophobicContact CD1-CG2 4.11Å; K172-V190 PolarHBondContact O-N 2.82Å; V173-V190 CarbonylContact C-O 3.59Å; V173-V190 WeakPolarHBondContact CA-O 3.41Å; V173-V190 HydrophobicContact CG2-CB 4.47Å; M174-V190 PolarHBondContact N-O 3.39Å; V190-F290 HydrophobicContact CG2-CZ 4.4Å; V190-L299 HydrophobicContact CG2-CD2 3.78Å; V190-M316 HydrophobicContact CB-SD 4.34Å; V190-M316 HydrophobicContact CG1-CE 4.13Å; V190-M316 HydrophobicContact CG1-SD 4.46Å; V190-M316 HydrophobicContact CG2-SD 4.07Å; V190-D322 HydrophobicContact CG1-CB 4.49Å; V190-I323 CarbonylContact C-O 3.58Å; V190-I323 WeakPolarHBondContact CA-O 3.41Å |
| 191 | I | 87.8 | Confident | 76.2 | Confident | 12 Ų | 12 | 74.4 Ų | 74.4 | 6% | 0.062 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 113.5 | 178.6 | -53.5 | 177 | 0 | 0 | 0 | 107.8 | M174 L176 L189 T193 L259 I323 | M174-I191 HydrophobicContact CG-CG1 4.19Å; M174-I191 CarbonylContact O-C 3.6Å; M174-I191 WeakPolarHBondContact O-CA 3.43Å; M174-I191 HydrophobicContact SD-CG1 4.47Å; L176-I191 HydrophobicContact CB-CG2 4.36Å; L176-I191 HydrophobicContact CD1-CG2 4.29Å; L189-I191 HydrophobicContact CD2-CD1 3.99Å; L189-I191 HydrophobicContact CD2-CG1 3.9Å; L189-I191 HydrophobicContact CG-CG1 4.14Å; I191-T193 HydrophobicContact CG2-CG2 4.31Å; I191-T193 PolarHBondContact O-N 3.48Å; I191-L259 HydrophobicContact CD1-CD2 3.78Å; I191-I323 HydrophobicContact CB-CB 4.49Å; I191-I323 PolarHBondContact N-O 3.26Å; I191-I323 PolarHBondContact O-N 3.33Å |
| 192 | K | 88.1 | Confident | 76.6 | Confident | 37 Ų | 37 | 63.3 Ų | 63.3 | 16% | 0.161 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 110.8 | 172.7 | -66.7 | -60.9 | -160.1 | 160.9 | 0 | 108.5 | V173 M174 L175 L176 E319 D322 | V173-K192 HydrophobicContact CG1-CG 3.93Å; M174-K192 PolarHBondContact O-N 2.94Å; L175-K192 HydrophobicContact CD2-CB 4.01Å; L176-K192 PolarHBondContact N-O 3.11Å; K192-E319 IonicContact NZ-OE2 2.79Å; K192-E319 PolarHBondContact NZ-OE2 2.94Å; K192-D322 VanDerWaalsContact CD-CG 3.42Å; K192-D322 WeakPolarHBondContact CD-OD1 3.15Å; K192-D322 VanDerWaalsContact CD-OD2 3.26Å; K192-D322 WeakPolarHBondContact CD-OD2 3.25Å; K192-D322 WeakPolarHBondContact CE-OD2 3.24Å; K192-D322 IonicContact NZ-OD1 2.69Å; K192-D322 IonicContact NZ-OD2 2.85Å; K192-D322 PolarHBondContact NZ-OD2 3.03Å |
| 193 | T | 78.6 | Confident | 77 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | trans | -97.2 | -21.1 | -178.1 | 70.2 | 0 | 0 | 0 | 0 | 112.8 | I191 K195 V255 G321 I323 | I191-T193 HydrophobicContact CG2-CG2 4.31Å; I191-T193 PolarHBondContact O-N 3.48Å; T193-K195 PolarHBondContact O-N 3.47Å; T193-V255 HydrophobicContact CG2-CG1 3.87Å; T193-V255 HydrophobicContact CG2-CG2 4.24Å; T193-G321 VanDerWaalsContact CG2-O 3.32Å; T193-G321 WeakPolarHBondContact CG2-O 3.49Å; T193-G321 PolarHBondContact OG1-O 3.11Å; T193-I323 HydrophobicContact CG2-CD1 3.92Å; T193-I323 HydrophobicContact CG2-CG1 4.23Å | ||
| 194 | G | 69.8 | Low | 77.2 | Confident | 67 Ų | 67 | 62.3 Ų | 62.3 | 69% | 0.691 | 32% | 0.324 | S | S | * | . | trans | 61 | 9.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P196 | G194-P196 VanDerWaalsContact O-CD 3.28Å; G194-P196 WeakPolarHBondContact O-CD 3.11Å | ||
| 195 | K | 73.1 | Confident | 77.3 | Confident | 152 Ų | 152 | 58.1 Ų | 58.1 | 66% | 0.661 | 30% | 0.304 | S | S | * | . | trans | -113.6 | 86 | 179.1 | -69.8 | -172.5 | -173.7 | -176.2 | 0 | 108.9 | T193 | T193-K195 PolarHBondContact O-N 3.47Š| ||
| 196 | P | 73.1 | Confident | 77.4 | Confident | 86 Ų | 86 | 53.1 Ų | 53.1 | 56% | 0.558 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 142.9 | 174.4 | 31.4 | -37 | 0 | 0 | 0 | 109.5 | G194 P320 | G194-P196 VanDerWaalsContact O-CD 3.28Å; G194-P196 WeakPolarHBondContact O-CD 3.11Å; P196-P320 HydrophobicContact CB-CB 3.81Å |
| 197 | L | 73.7 | Confident | 77.6 | Confident | 44 Ų | 44 | 50.5 Ų | 50.5 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 144.3 | 163.6 | -68.9 | 167.2 | 0 | 0 | 0 | 108.3 | I202 L252 F253 | L197-I202 HydrophobicContact CB-CD1 3.8Å; L197-I202 HydrophobicContact CB-CG1 3.7Å; L197-I202 HydrophobicContact CD1-CG1 4.22Å; L197-L252 HydrophobicContact CD1-CD1 4.36Å; L197-L252 WeakPolarHBondContact CD1-O 3.08Å; L197-F253 HydrophobicContact CD1-CD1 3.55Å; L197-F253 HydrophobicContact CD1-CE1 3.55Å |
| 198 | S | 74.9 | Confident | 77.4 | Confident | 44 Ų | 44 | 53.4 Ų | 53.4 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 147.1 | 174.2 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | E200 E201 I202 | S198-E200 PolarHBondContact O-N 2.92Å; S198-E201 PolarHBondContact N-OE2 3.4Å; S198-E201 PolarHBondContact O-N 3.12Å; S198-E201 VanDerWaalsContact OG-CB 3.24Å; S198-E201 WeakPolarHBondContact OG-CB 3.45Å; S198-E201 WeakPolarHBondContact OG-CG 3.24Å; S198-E201 PolarHBondContact OG-N 2.96Å; S198-E201 VanDerWaalsContact OG-N 3.16Å; S198-E201 PolarHBondContact OG-OE2 2.76Å; S198-I202 WeakPolarHBondContact O-CG1 3.12Å; S198-I202 PolarHBondContact O-N 3.46Å; S198-I202 VanDerWaalsContact O-N 3.1Å |
| 199 | S | 70.4 | Confident | 76.8 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.8 | -36.3 | 175.3 | 34.2 | 0 | 0 | 0 | 0 | 112.3 | Q203 | S199-Q203 VanDerWaalsContact O-CB 3.31Å; S199-Q203 WeakPolarHBondContact O-CB 3.32Å; S199-Q203 PolarHBondContact O-N 2.85Å |
| 200 | E | 73.3 | Confident | 76 | Confident | 130 Ų | 130 | 55.9 Ų | 55.9 | 61% | 0.607 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -69.4 | -44.5 | -178.8 | -67 | 74.5 | -169.1 | 0 | 0 | 111.7 | S198 Q203 H204 | S198-E200 PolarHBondContact O-N 2.92Å; E200-Q203 PolarHBondContact O-N 2.91Å; E200-H204 WeakPolarHBondContact O-CB 3.31Å; E200-H204 PolarHBondContact O-N 3.46Å |
| 201 | E | 75.3 | Confident | 75.2 | Confident | 115 Ų | 115 | 60.6 Ų | 60.6 | 54% | 0.537 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.1 | -75.9 | 163.9 | 154.9 | 0 | 0 | 111.2 | S198 Q203 H204 F205 | S198-E201 PolarHBondContact N-OE2 3.4Å; S198-E201 PolarHBondContact O-N 3.12Å; S198-E201 VanDerWaalsContact OG-CB 3.24Å; S198-E201 WeakPolarHBondContact OG-CB 3.45Å; S198-E201 WeakPolarHBondContact OG-CG 3.24Å; S198-E201 PolarHBondContact OG-N 2.96Å; S198-E201 VanDerWaalsContact OG-N 3.16Å; S198-E201 PolarHBondContact OG-OE2 2.76Å; E201-Q203 VanDerWaalsContact C-N 3.34Å; E201-H204 PolarHBondContact O-N 2.61Å; E201-F205 WeakPolarHBondContact O-CB 3.12Å; E201-F205 PolarHBondContact O-N 2.76Å |
| 202 | I | 75.9 | Confident | 74.6 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 176 | -62.4 | 162.9 | 0 | 0 | 0 | 109.5 | L197 S198 H204 F205 L206 G293 V344 | L197-I202 HydrophobicContact CB-CD1 3.8Å; L197-I202 HydrophobicContact CB-CG1 3.7Å; L197-I202 HydrophobicContact CD1-CG1 4.22Å; S198-I202 WeakPolarHBondContact O-CG1 3.12Å; S198-I202 PolarHBondContact O-N 3.46Å; S198-I202 VanDerWaalsContact O-N 3.1Å; I202-H204 PolarHBondContact O-N 2.85Å; I202-F205 PolarHBondContact O-N 3.19Å; I202-L206 HydrophobicContact CG2-CD1 3.77Å; I202-L206 HydrophobicContact CG2-CG 4.04Å; I202-L206 WeakPolarHBondContact O-CB 3.39Å; I202-L206 WeakPolarHBondContact O-CG 3.18Å; I202-L206 PolarHBondContact O-N 3.42Å; I202-G293 VanDerWaalsContact CD1-C 3.47Å; I202-V344 HydrophobicContact CG2-CB 4.27Å; I202-V344 HydrophobicContact CG2-CG1 3.65Å; I202-V344 HydrophobicContact CG2-CG2 4.28Å |
| 203 | Q | 75.2 | Confident | 73.9 | Confident | 74 Ų | 74 | 59.2 Ų | 59.2 | 35% | 0.346 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 179.2 | -175.4 | 174 | -30.3 | 0 | 0 | 111.7 | S199 E200 E201 F205 L206 C207 | S199-Q203 VanDerWaalsContact O-CB 3.31Å; S199-Q203 WeakPolarHBondContact O-CB 3.32Å; S199-Q203 PolarHBondContact O-N 2.85Å; E200-Q203 PolarHBondContact O-N 2.91Å; E201-Q203 VanDerWaalsContact C-N 3.34Å; Q203-F205 VanDerWaalsContact C-N 3.33Å; Q203-F205 PolarHBondContact O-N 3.36Å; Q203-L206 PolarHBondContact O-N 2.87Å; Q203-C207 WeakPolarHBondContact O-CB 3.32Å; Q203-C207 PolarHBondContact O-N 3.11Å; Q203-C207 PolarHBondContact O-SG 3.35Å |
| 204 | H | 75.1 | Confident | 73.3 | Confident | 124 Ų | 124 | 63.4 Ų | 63.4 | 57% | 0.574 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.9 | -41.2 | 177.2 | -178.2 | -100.2 | 0 | 0 | 0 | 111.9 | E200 E201 I202 C207 Q208 | E200-H204 WeakPolarHBondContact O-CB 3.31Å; E200-H204 PolarHBondContact O-N 3.46Å; E201-H204 PolarHBondContact O-N 2.61Å; I202-H204 PolarHBondContact O-N 2.85Å; H204-C207 WeakPolarHBondContact O-CB 3.42Å; H204-C207 PolarHBondContact O-N 3.29Å; H204-Q208 PolarHBondContact CE1-NE2 2.89Å; H204-Q208 PolarHBondContact ND1-NE2 2.9Å; H204-Q208 PolarHBondContact O-N 2.95Å |
| 205 | F | 74.6 | Confident | 72.5 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.6 | -43.4 | 177.6 | -170.6 | -86.7 | 0 | 0 | 0 | 112.4 | E201 I202 Q203 C207 Q208 Y209 V248 E251 L252 | E201-F205 WeakPolarHBondContact O-CB 3.12Å; E201-F205 PolarHBondContact O-N 2.76Å; I202-F205 PolarHBondContact O-N 3.19Å; Q203-F205 VanDerWaalsContact C-N 3.33Å; Q203-F205 PolarHBondContact O-N 3.36Å; F205-C207 PolarHBondContact O-N 2.95Å; F205-Q208 WeakPolarHBondContact O-CB 3.44Å; F205-Q208 PolarHBondContact O-N 3.34Å; F205-Y209 AromaticContact CD1-CD2 3.92Å; F205-Y209 HydrophobicContact CD1-CD2 3.92Å; F205-Y209 HydrophobicContact CD1-CE2 4.4Å; F205-Y209 HydrophobicContact CD2-CE2 4.35Å; F205-Y209 AromaticContact CE1-CD2 3.45Å; F205-Y209 HydrophobicContact CE1-CD2 3.45Å; F205-Y209 VanDerWaalsContact CE1-CD2 3.45Å; F205-Y209 AromaticContact CE1-CE2 3.73Å; F205-Y209 HydrophobicContact CE1-CE2 3.73Å; F205-Y209 HydrophobicContact CE2-CD2 4.17Å; F205-Y209 AromaticContact CE2-CE2 3.66Å; F205-Y209 HydrophobicContact CE2-CE2 3.66Å; F205-Y209 HydrophobicContact CG-CD2 4.48Å; F205-Y209 AromaticContact CZ-CD2 3.6Å; F205-Y209 HydrophobicContact CZ-CD2 3.6Å; F205-Y209 AromaticContact CZ-CE2 3.32Å; F205-Y209 HydrophobicContact CZ-CE2 3.32Å; F205-Y209 PolarHBondContact O-N 2.79Å; F205-V248 HydrophobicContact CE1-CG1 3.6Å; F205-V248 HydrophobicContact CZ-CG1 3.88Å; F205-E251 HydrophobicContact CE2-CB 3.72Å; F205-E251 HydrophobicContact CZ-CB 3.78Å; F205-L252 HydrophobicContact CB-CD1 3.98Å; F205-L252 HydrophobicContact CD1-CB 3.98Å; F205-L252 HydrophobicContact CD1-CD1 3.59Å; F205-L252 HydrophobicContact CD1-CD2 4.12Å; F205-L252 HydrophobicContact CD1-CG 4.09Å; F205-L252 HydrophobicContact CE1-CB 3.62Å; F205-L252 HydrophobicContact CE1-CD1 4.17Å; F205-L252 HydrophobicContact CE1-CD2 4.22Å; F205-L252 HydrophobicContact CE1-CG 4.2Å; F205-L252 HydrophobicContact CG-CD1 3.78Å; F205-L252 HydrophobicContact CZ-CB 3.93Å |
| 206 | L | 74.3 | Confident | 71.6 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.2 | -36.3 | 174.1 | -72.6 | -177.7 | 0 | 0 | 0 | 111.2 | I202 Q203 Q208 Y209 I213 C270 V344 | I202-L206 HydrophobicContact CG2-CD1 3.77Å; I202-L206 HydrophobicContact CG2-CG 4.04Å; I202-L206 WeakPolarHBondContact O-CB 3.39Å; I202-L206 WeakPolarHBondContact O-CG 3.18Å; I202-L206 PolarHBondContact O-N 3.42Å; Q203-L206 PolarHBondContact O-N 2.87Å; L206-Q208 VanDerWaalsContact C-N 3.26Å; L206-Q208 PolarHBondContact O-N 3.21Å; L206-Y209 CarbonylContact O-C 3.57Å; L206-Y209 PolarHBondContact O-N 3.42Å; L206-Y209 VanDerWaalsContact O-N 3.17Å; L206-I213 HydrophobicContact CB-CD1 3.67Å; L206-I213 HydrophobicContact CB-CG1 4.16Å; L206-I213 HydrophobicContact CD2-CD1 4.46Å; L206-I213 HydrophobicContact CD2-CG1 3.99Å; L206-I213 HydrophobicContact CG-CD1 4.45Å; L206-I213 HydrophobicContact CG-CG1 4.46Å; L206-I213 WeakPolarHBondContact O-CD1 3.27Å; L206-C270 HydrophobicContact CD2-CB 3.76Å; L206-V344 HydrophobicContact CD1-CG1 4.31Å |
| 207 | C | 75.1 | Confident | 70.3 | Confident | 19 Ų | 19 | 60.2 Ų | 60.2 | 13% | 0.128 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.3 | -23.2 | 173.5 | -72.1 | 0 | 0 | 0 | 0 | 114.4 | Q203 H204 F205 C227 | Q203-C207 WeakPolarHBondContact O-CB 3.32Å; Q203-C207 PolarHBondContact O-N 3.11Å; Q203-C207 PolarHBondContact O-SG 3.35Å; H204-C207 WeakPolarHBondContact O-CB 3.42Å; H204-C207 PolarHBondContact O-N 3.29Å; F205-C207 PolarHBondContact O-N 2.95Å; C207-C227 WeakPolarHBondContact CA-SG 3.4Å; C207-C227 HydrophobicContact CB-CB 3.52Å; C207-C227 WeakPolarHBondContact CB-SG 3.49Å; C207-C227 WeakPolarHBondContact SG-CA 3.36Å; C207-C227 WeakPolarHBondContact SG-CB 3.32Å; C207-C227 CovalentContact SG-SG 2.03Å; C207-C227 PolarHBondContact SG-SG 3.3Å |
| 208 | Q | 74.3 | Confident | 69.3 | Low | 90 Ų | 90 | 62.2 Ų | 62.2 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -78.8 | -27.7 | 172.5 | -64.6 | 177.5 | 17.4 | 0 | 0 | 112.6 | H204 F205 L206 P210 | H204-Q208 PolarHBondContact CE1-NE2 2.89Å; H204-Q208 PolarHBondContact ND1-NE2 2.9Å; H204-Q208 PolarHBondContact O-N 2.95Å; F205-Q208 WeakPolarHBondContact O-CB 3.44Å; F205-Q208 PolarHBondContact O-N 3.34Å; L206-Q208 VanDerWaalsContact C-N 3.26Å; L206-Q208 PolarHBondContact O-N 3.21Å; Q208-P210 VanDerWaalsContact C-CD 3.47Å; Q208-P210 WeakPolarHBondContact O-CD 3.04Å |
| 209 | Y | 73.6 | Confident | 68.1 | Low | 23 Ų | 23 | 62.7 Ų | 62.7 | 9% | 0.09 | 33% | 0.329 | C | S | . | . | trans | -125.7 | 66.8 | -177.4 | -60 | -74.4 | 0 | 0 | 0 | 111.5 | F205 L206 E211 V212 L243 V248 E251 | F205-Y209 AromaticContact CD1-CD2 3.92Å; F205-Y209 HydrophobicContact CD1-CD2 3.92Å; F205-Y209 HydrophobicContact CD1-CE2 4.4Å; F205-Y209 HydrophobicContact CD2-CE2 4.35Å; F205-Y209 AromaticContact CE1-CD2 3.45Å; F205-Y209 HydrophobicContact CE1-CD2 3.45Å; F205-Y209 VanDerWaalsContact CE1-CD2 3.45Å; F205-Y209 AromaticContact CE1-CE2 3.73Å; F205-Y209 HydrophobicContact CE1-CE2 3.73Å; F205-Y209 HydrophobicContact CE2-CD2 4.17Å; F205-Y209 AromaticContact CE2-CE2 3.66Å; F205-Y209 HydrophobicContact CE2-CE2 3.66Å; F205-Y209 HydrophobicContact CG-CD2 4.48Å; F205-Y209 AromaticContact CZ-CD2 3.6Å; F205-Y209 HydrophobicContact CZ-CD2 3.6Å; F205-Y209 AromaticContact CZ-CE2 3.32Å; F205-Y209 HydrophobicContact CZ-CE2 3.32Å; F205-Y209 PolarHBondContact O-N 2.79Å; L206-Y209 CarbonylContact O-C 3.57Å; L206-Y209 PolarHBondContact O-N 3.42Å; L206-Y209 VanDerWaalsContact O-N 3.17Å; Y209-E211 PolarHBondContact O-N 3.08Å; Y209-E211 VanDerWaalsContact O-N 3.13Å; Y209-V212 PolarHBondContact O-N 3.06Å; Y209-L243 HydrophobicContact CD1-CD1 4.5Å; Y209-V248 HydrophobicContact CD1-CG2 4.12Å; Y209-V248 HydrophobicContact CD2-CG1 4.12Å; Y209-V248 HydrophobicContact CE1-CG2 3.95Å; Y209-V248 HydrophobicContact CE2-CG1 4.4Å; Y209-V248 HydrophobicContact CG-CG1 4.25Å; Y209-V248 HydrophobicContact CG-CG2 4.47Å; Y209-E251 PolarHBondContact OH-OE2 3.18Å | ||
| 210 | P | 70.8 | Confident | 67.5 | Low | 49 Ų | 49 | 67.5 Ų | 67.5 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -63.1 | -20.7 | -175.7 | 27.3 | -36 | 0 | 0 | 0 | 113.6 | Q208 V212 I213 K223 | Q208-P210 VanDerWaalsContact C-CD 3.47Å; Q208-P210 WeakPolarHBondContact O-CD 3.04Å; P210-V212 PolarHBondContact O-N 3.47Å; P210-I213 PolarHBondContact O-N 3.39Å; P210-K223 PolarHBondContact O-NZ 3.44Å |
| 211 | E | 72.2 | Confident | 66.6 | Low | 99 Ų | 99 | 67.4 Ų | 67.4 | 46% | 0.463 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -67.3 | -21.4 | 178.7 | -57 | 84.6 | 176.2 | 0 | 0 | 113.1 | Y209 I213 | Y209-E211 PolarHBondContact O-N 3.08Å; Y209-E211 VanDerWaalsContact O-N 3.13Å; E211-I213 VanDerWaalsContact C-N 3.34Å |
| 212 | V | 74.8 | Confident | 66 | Low | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -87.9 | -5.5 | -178.2 | -173.3 | 0 | 0 | 0 | 0 | 111.4 | Y209 P210 L243 L267 K269 C270 | Y209-V212 PolarHBondContact O-N 3.06Å; P210-V212 PolarHBondContact O-N 3.47Å; V212-L243 HydrophobicContact CG2-CD1 4.07Å; V212-L267 HydrophobicContact CG1-CD2 3.56Å; V212-L267 HydrophobicContact CG1-CG 3.74Å; V212-K269 CarbonylContact O-C 3.47Å; V212-K269 WeakPolarHBondContact O-CA 3.35Å; V212-C270 PolarHBondContact O-N 3.43Å |
| 213 | I | 74.4 | Confident | 65.3 | Low | 17 Ų | 17 | 65.7 Ų | 65.7 | 9% | 0.087 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -104.7 | 124.4 | -176.3 | -49.8 | 165.8 | 0 | 0 | 0 | 111.2 | L206 P210 E211 F216 K223 | L206-I213 HydrophobicContact CB-CD1 3.67Å; L206-I213 HydrophobicContact CB-CG1 4.16Å; L206-I213 HydrophobicContact CD2-CD1 4.46Å; L206-I213 HydrophobicContact CD2-CG1 3.99Å; L206-I213 HydrophobicContact CG-CD1 4.45Å; L206-I213 HydrophobicContact CG-CG1 4.46Å; L206-I213 WeakPolarHBondContact O-CD1 3.27Å; P210-I213 PolarHBondContact O-N 3.39Å; E211-I213 VanDerWaalsContact C-N 3.34Å; I213-F216 HydrophobicContact CD1-CE2 4.29Å; I213-F216 HydrophobicContact CG2-CD2 3.74Å; I213-F216 HydrophobicContact CG2-CE2 3.67Å; I213-K223 PolarHBondContact O-NZ 3.02Å |
| 214 | E | 65.9 | Low | 64.6 | Low | 106 Ų | 106 | 63.7 Ų | 63.7 | 50% | 0.495 | 33% | 0.329 | S | S | . | . | trans | -100.8 | -31.8 | -177.2 | -161 | 156 | -148.3 | 0 | 0 | 115.8 | K269 F271 | E214-K269 HydrophobicContact CB-CD 3.92Å; E214-K269 HydrophobicContact CG-CD 4.2Å; E214-K269 IonicContact OE1-NZ 3.41Å; E214-K269 PolarHBondContact OE1-NZ 2.78Å; E214-K269 WeakPolarHBondContact OE2-CD 3.32Å; E214-K269 WeakPolarHBondContact OE2-CE 3.33Å; E214-K269 IonicContact OE2-NZ 3.24Å; E214-K269 PolarHBondContact OE2-NZ 2.89Å; E214-F271 HydrophobicContact CB-CD1 4.41Å; E214-F271 HydrophobicContact CB-CE1 3.88Å | ||
| 215 | D | 52.5 | Low | 63.9 | Low | 50 Ų | 50 | 63.6 Ų | 63.6 | 27% | 0.267 | 32% | 0.323 | S | S | . | . | trans | -116.3 | 49.6 | -156.9 | -140.4 | 16.6 | 0 | 0 | 0 | 114.3 | F271 K282 | D215-F271 HydrophobicContact CB-CD1 3.94Å; D215-K282 IonicContact OD2-NZ 3.94Å; D215-K282 PolarHBondContact OD2-NZ 3.36Å | ||
| 216 | F | 53.6 | Low | 63.5 | Low | 47 Ų | 47 | 66.3 Ų | 66.3 | 21% | 0.206 | 33% | 0.333 | C | S | . | . | trans | -90.5 | 103.2 | 157.7 | -75.5 | -73.4 | 0 | 0 | 0 | 107.7 | I213 E218 K223 L272 | I213-F216 HydrophobicContact CD1-CE2 4.29Å; I213-F216 HydrophobicContact CG2-CD2 3.74Å; I213-F216 HydrophobicContact CG2-CE2 3.67Å; F216-E218 HydrophobicContact CB-CB 4.13Å; F216-E218 HydrophobicContact CD1-CB 4.31Å; F216-E218 PolarHBondContact O-N 3.11Å; F216-K223 HydrophobicContact CD2-CB 4.39Å; F216-K223 HydrophobicContact CD2-CD 3.85Å; F216-K223 HydrophobicContact CD2-CG 3.85Å; F216-K223 HydrophobicContact CE2-CD 4.44Å; F216-K223 HydrophobicContact CE2-CG 4.12Å; F216-K223 HydrophobicContact CG-CG 4.48Å; F216-L272 HydrophobicContact CE1-CD2 3.89Å; F216-L272 HydrophobicContact CZ-CD2 3.88Å | ||
| 217 | T | 46.9 | Very low | 63.2 | Low | 142 Ų | 142 | 67.1 Ų | 67.1 | 87% | 0.871 | 34% | 0.34 | S | S | * | . | trans | -60.2 | -12 | 158.8 | 43.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 218 | E | 51.8 | Low | 62.7 | Low | 86 Ų | 86 | 68.5 Ų | 68.5 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -72.2 | 124.4 | 168.1 | -78 | 175.2 | -167.3 | 0 | 0 | 111.2 | F216 A222 | F216-E218 HydrophobicContact CB-CB 4.13Å; F216-E218 HydrophobicContact CD1-CB 4.31Å; F216-E218 PolarHBondContact O-N 3.11Å; E218-A222 HydrophobicContact CB-CB 3.74Å; E218-A222 HydrophobicContact CG-CB 4.15Å |
| 219 | G | 51.3 | Low | 61.8 | Low | 53 Ų | 53 | 68.5 Ų | 68.5 | 55% | 0.546 | 35% | 0.351 | S | S | . | . | trans | -54.9 | 155.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F221 A222 K223 | G219-F221 CarbonylContact O-C 3.51Å; G219-F221 PolarHBondContact O-N 3.43Å; G219-A222 PolarHBondContact O-N 3.21Å; G219-K223 PolarHBondContact O-N 3.23Å | ||
| 220 | F | 57.1 | Low | 60.8 | Low | 149 Ų | 149 | 76.1 Ų | 76.1 | 65% | 0.654 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -39.4 | -39.1 | -175.5 | 176.5 | -97.4 | 0 | 0 | 0 | 115.1 | W224 | F220-W224 PolarHBondContact O-N 2.85Å; F220-W224 VanDerWaalsContact O-N 3.09Å |
| 221 | F | 54.9 | Low | 60 | Low | 127 Ų | 127 | 81.2 Ų | 81.2 | 56% | 0.557 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.6 | -45 | 176.9 | -72.7 | -78.2 | 0 | 0 | 0 | 113.7 | G219 K223 W224 W225 P234 | G219-F221 CarbonylContact O-C 3.51Å; G219-F221 PolarHBondContact O-N 3.43Å; F221-K223 VanDerWaalsContact C-N 3.35Å; F221-K223 PolarHBondContact O-N 3.15Å; F221-W224 WeakPolarHBondContact O-CB 3.49Å; F221-W224 PolarHBondContact O-N 3.42Å; F221-W224 VanDerWaalsContact O-N 3.14Å; F221-W225 PolarHBondContact O-N 3.48Å; F221-P234 HydrophobicContact CE1-CB 4.2Å |
| 222 | A | 61 | Low | 58.9 | Low | 37 Ų | 37 | 86.2 Ų | 86.2 | 31% | 0.306 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.1 | -37.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E218 G219 W224 W225 R226 | E218-A222 HydrophobicContact CB-CB 3.74Å; E218-A222 HydrophobicContact CG-CB 4.15Å; G219-A222 PolarHBondContact O-N 3.21Å; A222-W224 VanDerWaalsContact C-N 3.31Å; A222-W224 PolarHBondContact O-N 2.92Å; A222-W225 PolarHBondContact O-N 3.37Å; A222-R226 PolarHBondContact O-N 3.46Å; A222-R226 VanDerWaalsContact O-N 3.07Å |
| 223 | K | 61.3 | Low | 57.6 | Low | 43 Ų | 43 | 92.7 Ų | 92.7 | 19% | 0.187 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 169.5 | -175 | 176.4 | 179.6 | 177.5 | 0 | 112 | P210 I213 F216 G219 F221 | P210-K223 PolarHBondContact O-NZ 3.44Å; I213-K223 PolarHBondContact O-NZ 3.02Å; F216-K223 HydrophobicContact CD2-CB 4.39Å; F216-K223 HydrophobicContact CD2-CD 3.85Å; F216-K223 HydrophobicContact CD2-CG 3.85Å; F216-K223 HydrophobicContact CE2-CD 4.44Å; F216-K223 HydrophobicContact CE2-CG 4.12Å; F216-K223 HydrophobicContact CG-CG 4.48Å; G219-K223 PolarHBondContact O-N 3.23Å; F221-K223 VanDerWaalsContact C-N 3.35Å; F221-K223 PolarHBondContact O-N 3.15Å |
| 224 | W | 61 | Low | 56.3 | Low | 33 Ų | 33 | 95.5 Ų | 95.5 | 13% | 0.125 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -70.7 | -43.7 | 177.7 | -173.4 | 85.5 | 0 | 0 | 0 | 112.9 | F220 F221 A222 R226 C227 F228 R231 F233 | F220-W224 PolarHBondContact O-N 2.85Å; F220-W224 VanDerWaalsContact O-N 3.09Å; F221-W224 WeakPolarHBondContact O-CB 3.49Å; F221-W224 PolarHBondContact O-N 3.42Å; F221-W224 VanDerWaalsContact O-N 3.14Å; A222-W224 VanDerWaalsContact C-N 3.31Å; A222-W224 PolarHBondContact O-N 2.92Å; W224-R226 VanDerWaalsContact C-N 3.27Å; W224-R226 PolarHBondContact O-N 3.26Å; W224-C227 PolarHBondContact O-N 3.08Å; W224-C227 VanDerWaalsContact O-N 3.11Å; W224-F228 HydrophobicContact CZ2-CB 4.48Å; W224-F228 AromaticContact NE1-CD2 3.93Å; W224-F228 PolarHBondContact O-N 3.09Å; W224-R231 HydrophobicContact CH2-CB 4.16Å; W224-R231 WeakPolarHBondContact CH2-O 3.1Å; W224-R231 HydrophobicContact CZ2-CB 4.2Å; W224-R231 VanDerWaalsContact CZ3-O 3.27Å; W224-R231 WeakPolarHBondContact CZ3-O 3.29Å; W224-F233 WeakPolarHBondContact CH2-O 3.38Å; W224-F233 WeakPolarHBondContact CZ2-O 3.5Å |
| 225 | W | 61.3 | Low | 55.7 | Low | 121 Ų | 121 | 97.7 Ų | 97.7 | 46% | 0.458 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58 | -38 | 176.2 | -80.3 | 113.8 | 0 | 0 | 0 | 112.5 | F221 A222 C227 F228 | F221-W225 PolarHBondContact O-N 3.48Å; A222-W225 PolarHBondContact O-N 3.37Å; W225-C227 VanDerWaalsContact C-N 3.31Å; W225-C227 PolarHBondContact O-N 3.2Å; W225-F228 CarbonylContact O-C 3.59Å |
| 226 | R | 65.6 | Low | 55.6 | Low | 84 Ų | 84 | 100.1 Ų | 100.1 | 32% | 0.317 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.3 | -29.4 | 178.4 | -165.5 | 171.9 | -172.1 | 142.7 | -0.8 | 113.3 | A222 W224 | A222-R226 PolarHBondContact O-N 3.46Å; A222-R226 VanDerWaalsContact O-N 3.07Å; W224-R226 VanDerWaalsContact C-N 3.27Å; W224-R226 PolarHBondContact O-N 3.26Å |
| 227 | C | 68 | Low | 55.5 | Low | 32 Ų | 32 | 104.4 Ų | 104.4 | 22% | 0.216 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -91.8 | -25.6 | -179.9 | -70.8 | 0 | 0 | 0 | 0 | 113.7 | C207 W224 W225 | C207-C227 WeakPolarHBondContact CA-SG 3.4Å; C207-C227 HydrophobicContact CB-CB 3.52Å; C207-C227 WeakPolarHBondContact CB-SG 3.49Å; C207-C227 WeakPolarHBondContact SG-CA 3.36Å; C207-C227 WeakPolarHBondContact SG-CB 3.32Å; C207-C227 CovalentContact SG-SG 2.03Å; C207-C227 PolarHBondContact SG-SG 3.3Å; W224-C227 PolarHBondContact O-N 3.08Å; W224-C227 VanDerWaalsContact O-N 3.11Å; W225-C227 VanDerWaalsContact C-N 3.31Å; W225-C227 PolarHBondContact O-N 3.2Å |
| 228 | F | 64.7 | Low | 55.3 | Low | 47 Ų | 47 | 102.8 Ų | 102.8 | 21% | 0.206 | 50% | 0.498 | C | S | . | . | trans | -138.8 | 68.2 | -179 | -59.4 | -75.1 | 0 | 0 | 0 | 111.7 | W224 W225 E230 R231 Y237 | W224-F228 HydrophobicContact CZ2-CB 4.48Å; W224-F228 AromaticContact NE1-CD2 3.93Å; W224-F228 PolarHBondContact O-N 3.09Å; W225-F228 CarbonylContact O-C 3.59Å; F228-E230 PolarHBondContact O-N 2.88Å; F228-E230 VanDerWaalsContact O-N 3.16Å; F228-R231 HydrophobicContact CB-CB 4.17Å; F228-R231 PolarHBondContact O-N 2.73Å; F228-Y237 AromaticContact CE2-CE2 3.92Å; F228-Y237 HydrophobicContact CE2-CE2 3.92Å; F228-Y237 AromaticContact CZ-CE2 3.8Å; F228-Y237 HydrophobicContact CZ-CE2 3.8Å | ||
| 229 | P | 55.1 | Low | 55.3 | Low | 91 Ų | 91 | 108.2 Ų | 108.2 | 59% | 0.591 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.9 | 179.6 | 24 | -33.3 | 0 | 0 | 0 | 113.1 | ||
| 230 | E | 52.1 | Low | 55.3 | Low | 182 Ų | 182 | 111.7 Ų | 111.7 | 85% | 0.85 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -7.2 | -177.6 | -63 | -156 | 172.5 | 0 | 0 | 115.4 | F228 | F228-E230 PolarHBondContact O-N 2.88Å; F228-E230 VanDerWaalsContact O-N 3.16Å |
| 231 | R | 54.8 | Low | 55.4 | Low | 156 Ų | 156 | 112.7 Ų | 112.7 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | trans | -97.1 | 131.6 | 174.4 | -78.5 | 179.4 | 170.6 | 171.8 | -2.5 | 109.1 | W224 F228 | W224-R231 HydrophobicContact CH2-CB 4.16Å; W224-R231 WeakPolarHBondContact CH2-O 3.1Å; W224-R231 HydrophobicContact CZ2-CB 4.2Å; W224-R231 VanDerWaalsContact CZ3-O 3.27Å; W224-R231 WeakPolarHBondContact CZ3-O 3.29Å; F228-R231 HydrophobicContact CB-CB 4.17Å; F228-R231 PolarHBondContact O-N 2.73Å | ||
| 232 | W | 48.9 | Very low | 55.6 | Low | 204 Ų | 204 | 112.7 Ų | 112.7 | 77% | 0.773 | 54% | 0.538 | S | S | * | . | trans | -98.5 | 2.9 | -174 | -88.6 | 62.6 | 0 | 0 | 0 | 114.8 | ||||
| 233 | F | 48 | Very low | 56 | Low | 140 Ų | 140 | 114 Ų | 114 | 61% | 0.614 | 54% | 0.539 | S | S | * | . | trans | -124.9 | 127.7 | -173 | -81.5 | -83.4 | 0 | 0 | 0 | 114.8 | W224 F235 | W224-F233 WeakPolarHBondContact CH2-O 3.38Å; W224-F233 WeakPolarHBondContact CZ2-O 3.5Å; F233-F235 HydrophobicContact CB-CD2 3.71Å; F233-F235 HydrophobicContact CB-CE2 3.6Å; F233-F235 HydrophobicContact CD1-CE2 4.12Å; F233-F235 HydrophobicContact CD1-CZ 4.43Å; F233-F235 HydrophobicContact CG-CE2 4Å; F233-F235 PolarHBondContact O-N 3.3Å | ||
| 234 | P | 47.5 | Very low | 57.1 | Low | 76 Ų | 76 | 115.6 Ų | 115.6 | 49% | 0.494 | 55% | 0.55 | S | S | . | . | trans | -83.6 | 60.7 | -178.2 | 38.1 | -35.3 | 0 | 0 | 0 | 110 | F221 | F221-P234 HydrophobicContact CE1-CB 4.2Š| ||
| 235 | F | 51.6 | Low | 58.2 | Low | 151 Ų | 151 | 118.1 Ų | 118.1 | 66% | 0.662 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 125.5 | 167.5 | -67.5 | -68.4 | 0 | 0 | 0 | 108.2 | F233 Y237 | F233-F235 HydrophobicContact CB-CD2 3.71Å; F233-F235 HydrophobicContact CB-CE2 3.6Å; F233-F235 HydrophobicContact CD1-CE2 4.12Å; F233-F235 HydrophobicContact CD1-CZ 4.43Å; F233-F235 HydrophobicContact CG-CE2 4Å; F233-F235 PolarHBondContact O-N 3.3Å; F235-Y237 PolarHBondContact O-N 3.47Å |
| 236 | P | 50.5 | Low | 59.3 | Low | 102 Ų | 102 | 113.5 Ų | 113.5 | 66% | 0.662 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 132.8 | 171.4 | 23.8 | -30.9 | 0 | 0 | 0 | 108 | P238 | P236-P238 VanDerWaalsContact O-CD 3.27Å; P236-P238 WeakPolarHBondContact O-CD 3.46Å; P236-P238 VanDerWaalsContact O-N 3.12Å |
| 237 | Y | 51.3 | Low | 60.2 | Low | 137 Ų | 137 | 114.1 Ų | 114.1 | 54% | 0.537 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -52.6 | 119.6 | 178.5 | -124.1 | -97 | 0 | 0 | 0 | 108.7 | F228 F235 W239 | F228-Y237 AromaticContact CE2-CE2 3.92Å; F228-Y237 HydrophobicContact CE2-CE2 3.92Å; F228-Y237 AromaticContact CZ-CE2 3.8Å; F228-Y237 HydrophobicContact CZ-CE2 3.8Å; F235-Y237 PolarHBondContact O-N 3.47Å; Y237-W239 PolarHBondContact O-N 2.96Å |
| 238 | P | 44.3 | Very low | 61 | Low | 108 Ų | 108 | 112.8 Ų | 112.8 | 70% | 0.701 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -75.2 | 9.4 | -171.7 | -16.4 | 29.7 | 0 | 0 | 0 | 114.9 | P236 | P236-P238 VanDerWaalsContact O-CD 3.27Å; P236-P238 WeakPolarHBondContact O-CD 3.46Å; P236-P238 VanDerWaalsContact O-N 3.12Å |
| 239 | W | 50.7 | Low | 62 | Low | 199 Ų | 199 | 110.6 Ų | 110.6 | 75% | 0.754 | 53% | 0.533 | S | S | * | . | trans | -140.7 | 90.5 | -172 | -56.8 | 86.8 | 0 | 0 | 0 | 109.4 | Y237 R241 | Y237-W239 PolarHBondContact O-N 2.96Å; W239-R241 PolarHBondContact O-N 2.79Å | ||
| 240 | T | 52.9 | Low | 63.5 | Low | 127 Ų | 127 | 111.7 Ų | 111.7 | 78% | 0.779 | 53% | 0.525 | S | S | * | . | trans | -58.4 | 90.3 | 148.1 | 23.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 241 | R | 59 | Low | 65 | Low | 169 Ų | 169 | 107 Ų | 107 | 64% | 0.638 | 50% | 0.504 | S | S | * | . | trans | -58.1 | 139.4 | 169.1 | -77.7 | -173.9 | 179.4 | -178.5 | 1.8 | 106.7 | W239 L243 | W239-R241 PolarHBondContact O-N 2.79Å; R241-L243 PolarHBondContact O-N 2.75Å | ||
| 242 | P | 57.8 | Low | 66.2 | Low | 128 Ų | 128 | 100 Ų | 100 | 83% | 0.831 | 48% | 0.478 | S | S | * | . | trans | -54.8 | 113.6 | 171.4 | 22.1 | -30.7 | 0 | 0 | 0 | 108 | N244 | P242-N244 PolarHBondContact O-N 3.02Š| ||
| 243 | L | 70.8 | Confident | 67.9 | Low | 64 Ų | 64 | 90.9 Ų | 90.9 | 34% | 0.335 | 44% | 0.444 | S | S | . | . | trans | -77.9 | 91.9 | -170.7 | -171.8 | 77.7 | 0 | 0 | 0 | 109.1 | Y209 V212 R241 R245 V248 | Y209-L243 HydrophobicContact CD1-CD1 4.5Å; V212-L243 HydrophobicContact CG2-CD1 4.07Å; R241-L243 PolarHBondContact O-N 2.75Å; L243-R245 HydrophobicContact CD2-CG 3.71Å; L243-R245 HydrophobicContact CG-CG 3.96Å; L243-R245 PolarHBondContact O-N 2.73Å; L243-V248 HydrophobicContact CD1-CG2 4.41Å | ||
| 244 | N | 82.8 | Confident | 69.6 | Low | 77 Ų | 77 | 87.5 Ų | 87.5 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | trans | -84.2 | 86.8 | 168.5 | -169.8 | -11.2 | 0 | 0 | 0 | 109.7 | P242 S246 Q247 V248 | P242-N244 PolarHBondContact O-N 3.02Å; N244-S246 PolarHBondContact O-N 2.87Å; N244-S246 VanDerWaalsContact O-N 3.13Å; N244-S246 PolarHBondContact OD1-N 2.85Å; N244-S246 PolarHBondContact OD1-OG 2.87Å; N244-Q247 HydrophobicContact CB-CB 3.93Å; N244-Q247 WeakPolarHBondContact O-CA 3.35Å; N244-Q247 WeakPolarHBondContact O-CB 3.29Å; N244-Q247 PolarHBondContact O-N 3.24Å; N244-Q247 PolarHBondContact OD1-N 3.29Å; N244-V248 WeakPolarHBondContact O-CG2 3.4Å; N244-V248 PolarHBondContact O-N 2.92Å | ||
| 245 | R | 84.2 | Confident | 71.3 | Confident | 85 Ų | 85 | 85 Ų | 85 | 32% | 0.321 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -54 | -32 | -178 | -73.8 | 177.3 | 178.5 | 147.4 | -1.1 | 114.3 | L243 L249 L267 E353 | L243-R245 HydrophobicContact CD2-CG 3.71Å; L243-R245 HydrophobicContact CG-CG 3.96Å; L243-R245 PolarHBondContact O-N 2.73Å; R245-L249 WeakPolarHBondContact O-CB 3.2Å; R245-L249 PolarHBondContact O-N 2.87Å; R245-L249 VanDerWaalsContact O-N 3.11Å; R245-L267 VanDerWaalsContact CB-O 3.27Å; R245-L267 WeakPolarHBondContact CB-O 3.33Å; R245-L267 WeakPolarHBondContact CD-O 3.37Å; R245-L267 VanDerWaalsContact CG-O 3.25Å; R245-L267 WeakPolarHBondContact CG-O 3.48Å; R245-L267 PolarHBondContact O-N 2.69Å; R245-E353 IonicContact NH1-OE2 3.81Å; R245-E353 PolarHBondContact NH1-OE2 3.34Å |
| 246 | S | 84.9 | Confident | 72.7 | Confident | 24 Ų | 24 | 78.3 Ų | 78.3 | 17% | 0.168 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -71.9 | -35.7 | 176.4 | 72.8 | 0 | 0 | 0 | 0 | 112.4 | N244 R250 A265 | N244-S246 PolarHBondContact O-N 2.87Å; N244-S246 VanDerWaalsContact O-N 3.13Å; N244-S246 PolarHBondContact OD1-N 2.85Å; N244-S246 PolarHBondContact OD1-OG 2.87Å; S246-R250 WeakPolarHBondContact O-CG 3.25Å; S246-R250 PolarHBondContact O-N 2.83Å; S246-A265 WeakPolarHBondContact CB-O 2.86Å |
| 247 | Q | 84.1 | Confident | 74.1 | Confident | 97 Ų | 97 | 77.5 Ų | 77.5 | 45% | 0.453 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.2 | -45.2 | 175.3 | -177.8 | 179.3 | -15 | 0 | 0 | 110.8 | N244 L249 R250 E251 | N244-Q247 HydrophobicContact CB-CB 3.93Å; N244-Q247 WeakPolarHBondContact O-CA 3.35Å; N244-Q247 WeakPolarHBondContact O-CB 3.29Å; N244-Q247 PolarHBondContact O-N 3.24Å; N244-Q247 PolarHBondContact OD1-N 3.29Å; Q247-L249 PolarHBondContact O-N 2.89Å; Q247-R250 PolarHBondContact O-N 3.09Å; Q247-E251 HydrophobicContact CG-CG 4.47Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.27Å; Q247-E251 PolarHBondContact NE2-OE1 3.45Å; Q247-E251 PolarHBondContact O-N 3.24Å |
| 248 | V | 84.4 | Confident | 75.4 | Confident | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.03 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -56.6 | -40.7 | 176.1 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | F205 Y209 L243 N244 R250 E251 L252 L267 | F205-V248 HydrophobicContact CE1-CG1 3.6Å; F205-V248 HydrophobicContact CZ-CG1 3.88Å; Y209-V248 HydrophobicContact CD1-CG2 4.12Å; Y209-V248 HydrophobicContact CD2-CG1 4.12Å; Y209-V248 HydrophobicContact CE1-CG2 3.95Å; Y209-V248 HydrophobicContact CE2-CG1 4.4Å; Y209-V248 HydrophobicContact CG-CG1 4.25Å; Y209-V248 HydrophobicContact CG-CG2 4.47Å; L243-V248 HydrophobicContact CD1-CG2 4.41Å; N244-V248 WeakPolarHBondContact O-CG2 3.4Å; N244-V248 PolarHBondContact O-N 2.92Å; V248-R250 PolarHBondContact O-N 3.41Å; V248-E251 PolarHBondContact O-N 3.29Å; V248-L252 WeakPolarHBondContact O-CB 3.22Å; V248-L252 PolarHBondContact O-N 2.8Å; V248-L267 HydrophobicContact CG1-CD2 3.9Å |
| 249 | L | 85.9 | Confident | 76.9 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.5 | -45.6 | 175.1 | -175 | 68.2 | 0 | 0 | 0 | 112.6 | R245 Q247 F253 F256 A265 L267 I291 | R245-L249 WeakPolarHBondContact O-CB 3.2Å; R245-L249 PolarHBondContact O-N 2.87Å; R245-L249 VanDerWaalsContact O-N 3.11Å; Q247-L249 PolarHBondContact O-N 2.89Å; L249-F253 HydrophobicContact CD1-CD2 4Å; L249-F253 PolarHBondContact O-N 3.22Å; L249-F256 HydrophobicContact CD1-CD2 4.18Å; L249-F256 HydrophobicContact CD1-CE2 3.84Å; L249-F256 HydrophobicContact CD1-CZ 4.28Å; L249-F256 HydrophobicContact CD2-CD1 4.02Å; L249-F256 HydrophobicContact CD2-CD2 4.11Å; L249-F256 HydrophobicContact CD2-CE1 4.09Å; L249-F256 HydrophobicContact CD2-CE2 4.18Å; L249-F256 HydrophobicContact CD2-CG 4.03Å; L249-F256 HydrophobicContact CD2-CZ 4.17Å; L249-F256 HydrophobicContact CG-CD2 3.84Å; L249-F256 HydrophobicContact CG-CE2 3.98Å; L249-F256 HydrophobicContact CG-CG 4.17Å; L249-F256 HydrophobicContact CG-CZ 4.45Å; L249-A265 HydrophobicContact CD2-CB 3.4Å; L249-A265 VanDerWaalsContact CD2-CB 3.4Å; L249-L267 HydrophobicContact CB-CB 3.91Å; L249-L267 HydrophobicContact CD1-CB 3.97Å; L249-L267 HydrophobicContact CD1-CD1 4.07Å; L249-L267 HydrophobicContact CG-CB 4.49Å; L249-I291 HydrophobicContact CD1-CD1 3.63Å |
| 250 | R | 86.2 | Confident | 77.8 | Confident | 113 Ų | 113 | 66.4 Ų | 66.4 | 43% | 0.426 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -72.9 | -31.2 | -177.9 | -66.9 | 174.3 | -168.5 | 172.7 | 5.2 | 112.5 | S246 Q247 V248 F253 P254 F256 T257 K263 | S246-R250 WeakPolarHBondContact O-CG 3.25Å; S246-R250 PolarHBondContact O-N 2.83Å; Q247-R250 PolarHBondContact O-N 3.09Å; V248-R250 PolarHBondContact O-N 3.41Å; R250-F253 CarbonylContact O-C 3.56Å; R250-P254 WeakPolarHBondContact O-CA 3.44Å; R250-F256 HydrophobicContact CG-CB 4.12Å; R250-T257 HydrophobicContact CB-CG2 4.16Å; R250-T257 HydrophobicContact CG-CG2 4.39Å; R250-K263 PolarHBondContact NH2-O 2.8Å |
| 251 | E | 84.3 | Confident | 78.6 | Confident | 85 Ų | 85 | 62.3 Ų | 62.3 | 40% | 0.397 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.1 | -44.3 | 173.6 | -72.3 | 177.9 | -167.1 | 0 | 0 | 111.2 | F205 Y209 Q247 V248 | F205-E251 HydrophobicContact CE2-CB 3.72Å; F205-E251 HydrophobicContact CZ-CB 3.78Å; Y209-E251 PolarHBondContact OH-OE2 3.18Å; Q247-E251 HydrophobicContact CG-CG 4.47Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.27Å; Q247-E251 PolarHBondContact NE2-OE1 3.45Å; Q247-E251 PolarHBondContact O-N 3.24Å; V248-E251 PolarHBondContact O-N 3.29Å |
| 252 | L | 80.5 | Confident | 79.2 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.9 | -42.9 | 178.5 | -175 | 54.7 | 0 | 0 | 0 | 111.8 | L197 F205 V248 P254 L267 | L197-L252 HydrophobicContact CD1-CD1 4.36Å; L197-L252 WeakPolarHBondContact CD1-O 3.08Å; F205-L252 HydrophobicContact CB-CD1 3.98Å; F205-L252 HydrophobicContact CD1-CB 3.98Å; F205-L252 HydrophobicContact CD1-CD1 3.59Å; F205-L252 HydrophobicContact CD1-CD2 4.12Å; F205-L252 HydrophobicContact CD1-CG 4.09Å; F205-L252 HydrophobicContact CE1-CB 3.62Å; F205-L252 HydrophobicContact CE1-CD1 4.17Å; F205-L252 HydrophobicContact CE1-CD2 4.22Å; F205-L252 HydrophobicContact CE1-CG 4.2Å; F205-L252 HydrophobicContact CG-CD1 3.78Å; F205-L252 HydrophobicContact CZ-CB 3.93Å; V248-L252 WeakPolarHBondContact O-CB 3.22Å; V248-L252 PolarHBondContact O-N 2.8Å; L252-P254 WeakPolarHBondContact O-CD 3.26Å; L252-L267 HydrophobicContact CD2-CD2 4.29Å |
| 253 | F | 85.1 | Confident | 80 | Confident | 11 Ų | 11 | 56 Ų | 56 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | trans | -124.5 | 88.6 | -177.8 | -58.9 | -74 | 0 | 0 | 0 | 109.9 | L197 L249 R250 V255 F256 I291 C346 | L197-F253 HydrophobicContact CD1-CD1 3.55Å; L197-F253 HydrophobicContact CD1-CE1 3.55Å; L249-F253 HydrophobicContact CD1-CD2 4Å; L249-F253 PolarHBondContact O-N 3.22Å; R250-F253 CarbonylContact O-C 3.56Å; F253-V255 PolarHBondContact O-N 3.35Å; F253-F256 HydrophobicContact CB-CD2 3.66Å; F253-F256 HydrophobicContact CB-CE2 3.82Å; F253-F256 HydrophobicContact CD2-CE2 4.49Å; F253-F256 HydrophobicContact CG-CE2 4.39Å; F253-F256 WeakPolarHBondContact O-CD2 3.48Å; F253-F256 PolarHBondContact O-N 2.8Å; F253-F256 VanDerWaalsContact O-N 3.11Å; F253-I291 HydrophobicContact CD1-CG2 3.57Å; F253-I291 HydrophobicContact CD2-CB 4.42Å; F253-I291 HydrophobicContact CD2-CD1 4.3Å; F253-I291 HydrophobicContact CD2-CG1 4.5Å; F253-I291 HydrophobicContact CD2-CG2 4.09Å; F253-I291 HydrophobicContact CE1-CB 4.31Å; F253-I291 HydrophobicContact CE1-CG2 3.34Å; F253-I291 HydrophobicContact CE2-CB 4.03Å; F253-I291 HydrophobicContact CE2-CD1 4.26Å; F253-I291 HydrophobicContact CE2-CG1 4.49Å; F253-I291 HydrophobicContact CE2-CG2 3.88Å; F253-I291 HydrophobicContact CG-CG2 3.94Å; F253-I291 HydrophobicContact CZ-CB 3.98Å; F253-I291 HydrophobicContact CZ-CG2 3.51Å; F253-C346 HydrophobicContact CE2-CB 3.88Å; F253-C346 HydrophobicContact CZ-CB 4.15Å | ||
| 254 | P | 82.4 | Confident | 80.3 | Confident | 70 Ų | 70 | 58 Ų | 58 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -19.3 | -179.1 | -26.5 | 34.5 | 0 | 0 | 0 | 113.9 | R250 L252 F256 T257 | R250-P254 WeakPolarHBondContact O-CA 3.44Å; L252-P254 WeakPolarHBondContact O-CD 3.26Å; P254-F256 PolarHBondContact O-N 3.33Å; P254-F256 VanDerWaalsContact O-N 3.12Å; P254-T257 PolarHBondContact O-N 2.79Å; P254-T257 PolarHBondContact O-OG1 3.31Å |
| 255 | V | 83 | Confident | 80.4 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.2 | -31.6 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 112 | L176 T193 F253 T257 H258 L259 I323 | L176-V255 HydrophobicContact CD1-CG1 3.71Å; L176-V255 HydrophobicContact CD2-CG1 4.1Å; T193-V255 HydrophobicContact CG2-CG1 3.87Å; T193-V255 HydrophobicContact CG2-CG2 4.24Å; F253-V255 PolarHBondContact O-N 3.35Å; V255-T257 PolarHBondContact O-N 2.82Å; V255-H258 PolarHBondContact O-N 2.8Å; V255-H258 VanDerWaalsContact O-N 3.08Å; V255-L259 HydrophobicContact CG1-CD1 3.75Å; V255-L259 HydrophobicContact CG1-CG 3.84Å; V255-L259 WeakPolarHBondContact O-CG 3.42Å; V255-L259 PolarHBondContact O-N 2.95Å; V255-I323 HydrophobicContact CB-CD1 4.06Å; V255-I323 HydrophobicContact CG1-CD1 3.72Å |
| 256 | F | 80.9 | Confident | 80.4 | Confident | 12 Ų | 12 | 50.8 Ų | 50.8 | 5% | 0.053 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.2 | -15 | 177.3 | -72.4 | -83.2 | 0 | 0 | 0 | 114.6 | L249 R250 F253 P254 H258 L259 A265 L289 I291 I323 | L249-F256 HydrophobicContact CD1-CD2 4.18Å; L249-F256 HydrophobicContact CD1-CE2 3.84Å; L249-F256 HydrophobicContact CD1-CZ 4.28Å; L249-F256 HydrophobicContact CD2-CD1 4.02Å; L249-F256 HydrophobicContact CD2-CD2 4.11Å; L249-F256 HydrophobicContact CD2-CE1 4.09Å; L249-F256 HydrophobicContact CD2-CE2 4.18Å; L249-F256 HydrophobicContact CD2-CG 4.03Å; L249-F256 HydrophobicContact CD2-CZ 4.17Å; L249-F256 HydrophobicContact CG-CD2 3.84Å; L249-F256 HydrophobicContact CG-CE2 3.98Å; L249-F256 HydrophobicContact CG-CG 4.17Å; L249-F256 HydrophobicContact CG-CZ 4.45Å; R250-F256 HydrophobicContact CG-CB 4.12Å; F253-F256 HydrophobicContact CB-CD2 3.66Å; F253-F256 HydrophobicContact CB-CE2 3.82Å; F253-F256 HydrophobicContact CD2-CE2 4.49Å; F253-F256 HydrophobicContact CG-CE2 4.39Å; F253-F256 WeakPolarHBondContact O-CD2 3.48Å; F253-F256 PolarHBondContact O-N 2.8Å; F253-F256 VanDerWaalsContact O-N 3.11Å; P254-F256 PolarHBondContact O-N 3.33Å; P254-F256 VanDerWaalsContact O-N 3.12Å; F256-H258 VanDerWaalsContact C-N 3.31Å; F256-L259 HydrophobicContact CD1-CD1 4.09Å; F256-L259 HydrophobicContact CE1-CD1 4.26Å; F256-L259 HydrophobicContact CG-CD1 4.49Å; F256-A265 HydrophobicContact CD1-CB 4.21Å; F256-A265 HydrophobicContact CE1-CB 4.25Å; F256-L289 HydrophobicContact CE1-CD1 4.37Å; F256-L289 HydrophobicContact CE1-CD2 3.99Å; F256-L289 HydrophobicContact CZ-CD1 4.38Å; F256-L289 HydrophobicContact CZ-CD2 4.07Å; F256-I291 HydrophobicContact CE2-CD1 3.88Å; F256-I291 HydrophobicContact CE2-CG1 3.77Å; F256-I291 HydrophobicContact CZ-CD1 3.8Å; F256-I291 HydrophobicContact CZ-CG1 3.7Å; F256-I323 HydrophobicContact CE1-CG2 4.38Å; F256-I323 HydrophobicContact CE2-CD1 4Å; F256-I323 HydrophobicContact CZ-CD1 4.04Å; F256-I323 HydrophobicContact CZ-CG1 4.4Å; F256-I323 HydrophobicContact CZ-CG2 3.91Å |
| 257 | T | 79.9 | Confident | 80.5 | Confident | 84 Ų | 84 | 49.7 Ų | 49.7 | 52% | 0.515 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -76.1 | -25 | 171.7 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | R250 P254 V255 | R250-T257 HydrophobicContact CB-CG2 4.16Å; R250-T257 HydrophobicContact CG-CG2 4.39Å; P254-T257 PolarHBondContact O-N 2.79Å; P254-T257 PolarHBondContact O-OG1 3.31Å; V255-T257 PolarHBondContact O-N 2.82Å |
| 258 | H | 78.8 | Confident | 80.6 | Confident | 148 Ų | 148 | 45.9 Ų | 45.9 | 69% | 0.685 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -101.4 | -22.5 | -177.6 | -59.5 | -64.4 | 0 | 0 | 0 | 112.7 | V255 F256 | V255-H258 PolarHBondContact O-N 2.8Å; V255-H258 VanDerWaalsContact O-N 3.08Å; F256-H258 VanDerWaalsContact C-N 3.31Å |
| 259 | L | 77.2 | Confident | 80.6 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | trans | -66.6 | 128.8 | 177.8 | -81.4 | 171.2 | 0 | 0 | 0 | 111.1 | L176 A179 I191 V255 F256 F261 I323 | L176-L259 HydrophobicContact CD1-CD2 3.43Å; L176-L259 VanDerWaalsContact CD1-CD2 3.43Å; L176-L259 HydrophobicContact CD1-CG 3.96Å; A179-L259 HydrophobicContact CB-CD2 4.24Å; I191-L259 HydrophobicContact CD1-CD2 3.78Å; V255-L259 HydrophobicContact CG1-CD1 3.75Å; V255-L259 HydrophobicContact CG1-CG 3.84Å; V255-L259 WeakPolarHBondContact O-CG 3.42Å; V255-L259 PolarHBondContact O-N 2.95Å; F256-L259 HydrophobicContact CD1-CD1 4.09Å; F256-L259 HydrophobicContact CE1-CD1 4.26Å; F256-L259 HydrophobicContact CG-CD1 4.49Å; L259-F261 PolarHBondContact O-N 3.28Å; L259-I323 HydrophobicContact CD1-CD1 3.71Å | ||
| 260 | P | 68.9 | Low | 80.5 | Confident | 50 Ų | 50 | 48.2 Ų | 48.2 | 33% | 0.325 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -67.4 | -18 | 176.8 | 27.1 | -33.7 | 0 | 0 | 0 | 112.7 | A179 | A179-P260 HydrophobicContact CB-CG 4.44Š|
| 261 | F | 70.4 | Confident | 80.3 | Confident | 41 Ų | 41 | 44.1 Ų | 44.1 | 18% | 0.18 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -154.6 | 147.3 | 178.6 | 172.5 | -81.6 | 0 | 0 | 0 | 109.9 | F183 L259 T350 | F183-F261 HydrophobicContact CB-CB 3.89Å; F183-F261 HydrophobicContact CB-CD1 3.57Å; F183-F261 HydrophobicContact CB-CD2 3.21Å; F183-F261 HydrophobicContact CB-CE1 4Å; F183-F261 HydrophobicContact CB-CE2 3.64Å; F183-F261 HydrophobicContact CB-CG 3.2Å; F183-F261 HydrophobicContact CB-CZ 4.04Å; F183-F261 AromaticContact CD1-CD1 3.76Å; F183-F261 HydrophobicContact CD1-CD1 3.76Å; F183-F261 AromaticContact CD1-CD2 3.75Å; F183-F261 HydrophobicContact CD1-CD2 3.75Å; F183-F261 AromaticContact CD1-CE1 3.24Å; F183-F261 HydrophobicContact CD1-CE1 3.24Å; F183-F261 AromaticContact CD1-CE2 3.19Å; F183-F261 HydrophobicContact CD1-CE2 3.19Å; F183-F261 HydrophobicContact CD1-CG 4.03Å; F183-F261 AromaticContact CD1-CZ 2.93Å; F183-F261 HydrophobicContact CD1-CZ 2.93Å; F183-F261 AromaticContact CD2-CD1 3.08Å; F183-F261 HydrophobicContact CD2-CD1 3.08Å; F183-F261 HydrophobicContact CD2-CD2 4.3Å; F183-F261 AromaticContact CD2-CE1 3.22Å; F183-F261 HydrophobicContact CD2-CE1 3.22Å; F183-F261 HydrophobicContact CD2-CE2 4.37Å; F183-F261 AromaticContact CD2-CG 3.73Å; F183-F261 HydrophobicContact CD2-CG 3.73Å; F183-F261 AromaticContact CD2-CZ 3.9Å; F183-F261 HydrophobicContact CD2-CZ 3.9Å; F183-F261 HydrophobicContact CE1-CD1 4.01Å; F183-F261 AromaticContact CE1-CE1 3.1Å; F183-F261 HydrophobicContact CE1-CE1 3.1Å; F183-F261 AromaticContact CE1-CE2 3.7Å; F183-F261 HydrophobicContact CE1-CE2 3.7Å; F183-F261 AromaticContact CE1-CZ 2.91Å; F183-F261 HydrophobicContact CE1-CZ 2.91Å; F183-F261 AromaticContact CE2-CD1 3.42Å; F183-F261 HydrophobicContact CE2-CD1 3.42Å; F183-F261 VanDerWaalsContact CE2-CD1 3.42Å; F183-F261 AromaticContact CE2-CE1 3.12Å; F183-F261 HydrophobicContact CE2-CE1 3.12Å; F183-F261 HydrophobicContact CE2-CG 4.44Å; F183-F261 AromaticContact CE2-CZ 3.91Å; F183-F261 HydrophobicContact CE2-CZ 3.91Å; F183-F261 HydrophobicContact CG-CB 4.45Å; F183-F261 AromaticContact CG-CD1 3.19Å; F183-F261 HydrophobicContact CG-CD1 3.19Å; F183-F261 AromaticContact CG-CD2 3.53Å; F183-F261 HydrophobicContact CG-CD2 3.53Å; F183-F261 AromaticContact CG-CE1 3.2Å; F183-F261 HydrophobicContact CG-CE1 3.2Å; F183-F261 AromaticContact CG-CE2 3.5Å; F183-F261 HydrophobicContact CG-CE2 3.5Å; F183-F261 VanDerWaalsContact CG-CE2 3.5Å; F183-F261 AromaticContact CG-CG 3.41Å; F183-F261 HydrophobicContact CG-CG 3.41Å; F183-F261 VanDerWaalsContact CG-CG 3.41Å; F183-F261 AromaticContact CG-CZ 3.36Å; F183-F261 HydrophobicContact CG-CZ 3.36Å; F183-F261 AromaticContact CZ-CD1 3.78Å; F183-F261 HydrophobicContact CZ-CD1 3.78Å; F183-F261 AromaticContact CZ-CE1 2.96Å; F183-F261 HydrophobicContact CZ-CE1 2.96Å; F183-F261 HydrophobicContact CZ-CE2 4.4Å; F183-F261 AromaticContact CZ-CZ 3.36Å; F183-F261 HydrophobicContact CZ-CZ 3.36Å; L259-F261 PolarHBondContact O-N 3.28Å; F261-T350 HydrophobicContact CE1-CG2 4.24Å; F261-T350 HydrophobicContact CZ-CG2 3.96Å |
| 262 | P | 70.6 | Confident | 80.1 | Confident | 11 Ų | 11 | 41.2 Ų | 41.2 | 7% | 0.071 | 21% | 0.213 | C | C | . | . | cis | -81.8 | 129.3 | -2.8 | 4.3 | 10.4 | 0 | 0 | 0 | 111.9 | D264 A265 L289 T350 | P262-D264 VanDerWaalsContact C-N 3.35Å; P262-A265 HydrophobicContact CB-CB 3.83Å; P262-A265 HydrophobicContact CG-CB 3.83Å; P262-L289 HydrophobicContact CG-CD1 4.39Å; P262-L289 HydrophobicContact CG-CD2 4.35Å; P262-T350 HydrophobicContact CB-CG2 4Å; P262-T350 HydrophobicContact CG-CG2 3.71Å | ||
| 263 | K | 73.9 | Confident | 79.9 | Confident | 153 Ų | 153 | 41.3 Ų | 41.3 | 67% | 0.665 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -35.6 | 176.6 | -67.3 | -172.9 | 177.8 | -176.6 | 0 | 112.3 | R250 A265 | R250-K263 PolarHBondContact NH2-O 2.8Å; K263-A265 VanDerWaalsContact C-N 3.33Å |
| 264 | D | 78.6 | Confident | 79.3 | Confident | 105 Ų | 105 | 45.8 Ų | 45.8 | 56% | 0.561 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 27.4 | -178.3 | -50 | -45.3 | 0 | 0 | 0 | 111.7 | P262 S266 F351 S352 | P262-D264 VanDerWaalsContact C-N 3.35Å; D264-S266 PolarHBondContact O-N 2.98Å; D264-F351 CarbonylContact O-C 3.53Å; D264-S352 PolarHBondContact O-N 2.93Å |
| 265 | A | 83.1 | Confident | 78.5 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | trans | -66 | 130.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S246 L249 F256 P262 K263 L289 T349 | S246-A265 WeakPolarHBondContact CB-O 2.86Å; L249-A265 HydrophobicContact CD2-CB 3.4Å; L249-A265 VanDerWaalsContact CD2-CB 3.4Å; F256-A265 HydrophobicContact CD1-CB 4.21Å; F256-A265 HydrophobicContact CE1-CB 4.25Å; P262-A265 HydrophobicContact CB-CB 3.83Å; P262-A265 HydrophobicContact CG-CB 3.83Å; K263-A265 VanDerWaalsContact C-N 3.33Å; A265-L289 HydrophobicContact CB-CD2 4.01Å; A265-T349 CarbonylContact C-O 3.56Å; A265-T349 VanDerWaalsContact CA-O 3.29Å; A265-T349 WeakPolarHBondContact CA-O 3.49Å | ||
| 266 | S | 86.1 | Confident | 77.6 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 137.2 | 171.1 | 52.1 | 0 | 0 | 0 | 0 | 111.2 | D264 N268 G348 T349 F351 | D264-S266 PolarHBondContact O-N 2.98Å; S266-N268 PolarHBondContact O-N 2.78Å; S266-G348 CarbonylContact O-C 3.59Å; S266-G348 WeakPolarHBondContact O-CA 3.2Å; S266-T349 PolarHBondContact N-O 3.27Å; S266-T349 PolarHBondContact O-N 2.6Å; S266-T349 PolarHBondContact OG-OG1 3.31Å; S266-F351 PolarHBondContact OG-O 3.36Å |
| 267 | L | 86.1 | Confident | 76.4 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 121.2 | 173.7 | -176.9 | 62.6 | 0 | 0 | 0 | 109.4 | V212 R245 V248 L249 L252 C346 | V212-L267 HydrophobicContact CG1-CD2 3.56Å; V212-L267 HydrophobicContact CG1-CG 3.74Å; R245-L267 VanDerWaalsContact CB-O 3.27Å; R245-L267 WeakPolarHBondContact CB-O 3.33Å; R245-L267 WeakPolarHBondContact CD-O 3.37Å; R245-L267 VanDerWaalsContact CG-O 3.25Å; R245-L267 WeakPolarHBondContact CG-O 3.48Å; R245-L267 PolarHBondContact O-N 2.69Å; V248-L267 HydrophobicContact CG1-CD2 3.9Å; L249-L267 HydrophobicContact CB-CB 3.91Å; L249-L267 HydrophobicContact CD1-CB 3.97Å; L249-L267 HydrophobicContact CD1-CD1 4.07Å; L249-L267 HydrophobicContact CG-CB 4.49Å; L252-L267 HydrophobicContact CD2-CD2 4.29Å; L267-C346 HydrophobicContact CD1-CB 3.67Å |
| 268 | N | 85.4 | Confident | 75.2 | Confident | 16 Ų | 16 | 56.6 Ų | 56.6 | 9% | 0.086 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -69.9 | 175.6 | -179.5 | 31.1 | 0 | 0 | 0 | 108.6 | S266 R287 D347 | S266-N268 PolarHBondContact O-N 2.78Å; N268-R287 PolarHBondContact ND2-NE 2.92Å; N268-D347 WeakPolarHBondContact CA-O 3.06Å; N268-D347 WeakPolarHBondContact CB-O 3.43Å; N268-D347 PolarHBondContact N-O 3.09Å; N268-D347 PolarHBondContact ND2-OD2 3.37Å |
| 269 | K | 84.9 | Confident | 73.6 | Confident | 56 Ų | 56 | 57.1 Ų | 57.1 | 24% | 0.243 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 151.9 | -175.4 | -61.6 | -178.5 | -170.4 | 173.4 | 0 | 112.2 | V212 E214 F271 C346 D347 | V212-K269 CarbonylContact O-C 3.47Å; V212-K269 WeakPolarHBondContact O-CA 3.35Å; E214-K269 HydrophobicContact CB-CD 3.92Å; E214-K269 HydrophobicContact CG-CD 4.2Å; E214-K269 IonicContact OE1-NZ 3.41Å; E214-K269 PolarHBondContact OE1-NZ 2.78Å; E214-K269 WeakPolarHBondContact OE2-CD 3.32Å; E214-K269 WeakPolarHBondContact OE2-CE 3.33Å; E214-K269 IonicContact OE2-NZ 3.24Å; E214-K269 PolarHBondContact OE2-NZ 2.89Å; K269-F271 HydrophobicContact CB-CE2 4.26Å; K269-F271 HydrophobicContact CB-CZ 4.14Å; K269-C346 CarbonylContact O-C 3.4Å; K269-D347 PolarHBondContact N-O 3.46Å; K269-D347 VanDerWaalsContact N-O 3.09Å; K269-D347 WeakPolarHBondContact O-CA 3.04Å; K269-D347 PolarHBondContact O-N 2.86Å |
| 270 | C | 84.8 | Confident | 72.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 140.3 | 171.8 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | L206 V212 I345 C346 | L206-C270 HydrophobicContact CD2-CB 3.76Å; V212-C270 PolarHBondContact O-N 3.43Å; C270-I345 CarbonylContact C-O 3.57Å; C270-I345 WeakPolarHBondContact CA-O 3.27Å; C270-C346 HydrophobicContact CB-CB 4.17Å; C270-C346 WeakPolarHBondContact CB-SG 3.06Å; C270-C346 WeakPolarHBondContact SG-CB 3.26Å; C270-C346 CovalentContact SG-SG 2.05Å; C270-C346 PolarHBondContact SG-SG 3.4Å |
| 271 | F | 81.3 | Confident | 72 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 11% | 0.114 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.4 | -177.3 | -54.1 | -88.6 | 0 | 0 | 0 | 109 | E214 D215 K269 L273 V344 I345 D347 | E214-F271 HydrophobicContact CB-CD1 4.41Å; E214-F271 HydrophobicContact CB-CE1 3.88Å; D215-F271 HydrophobicContact CB-CD1 3.94Å; K269-F271 HydrophobicContact CB-CE2 4.26Å; K269-F271 HydrophobicContact CB-CZ 4.14Å; F271-L273 HydrophobicContact CB-CD2 4.08Å; F271-L273 HydrophobicContact CB-CG 4.22Å; F271-V344 WeakPolarHBondContact O-CA 3.32Å; F271-I345 HydrophobicContact CB-CG2 3.86Å; F271-I345 HydrophobicContact CD2-CG2 4.36Å; F271-I345 PolarHBondContact N-O 2.88Å; F271-I345 PolarHBondContact O-N 3.28Å; F271-D347 HydrophobicContact CE2-CB 3.78Å |
| 272 | L | 79.7 | Confident | 72 | Confident | 25 Ų | 25 | 63.1 Ų | 63.1 | 13% | 0.131 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 104.9 | 170.6 | 177.2 | 70.3 | 0 | 0 | 0 | 107.7 | F216 P342 L343 V344 | F216-L272 HydrophobicContact CE1-CD2 3.89Å; F216-L272 HydrophobicContact CZ-CD2 3.88Å; L272-P342 HydrophobicContact CD1-CB 4.04Å; L272-L343 CarbonylContact C-O 3.18Å; L272-L343 WeakPolarHBondContact CA-O 3.45Å; L272-V344 HydrophobicContact CD1-CG2 3.54Å |
| 273 | L | 76.3 | Confident | 72.4 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.052 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 121.4 | -174.5 | -54.2 | 178.2 | 0 | 0 | 0 | 109.3 | F271 P275 H284 L343 I345 | F271-L273 HydrophobicContact CB-CD2 4.08Å; F271-L273 HydrophobicContact CB-CG 4.22Å; L273-P275 WeakPolarHBondContact O-CD 3.03Å; L273-H284 HydrophobicContact CD1-CB 4.26Å; L273-H284 VanDerWaalsContact CD1-ND1 3.32Å; L273-H284 WeakPolarHBondContact CD1-ND1 3.33Å; L273-H284 VanDerWaalsContact CD2-CE1 3.44Å; L273-H284 WeakPolarHBondContact CD2-CE1 3.26Å; L273-H284 WeakPolarHBondContact CD2-NE2 3.16Å; L273-L343 HydrophobicContact CB-CB 4.21Å; L273-L343 HydrophobicContact CD1-CD2 4.1Å; L273-L343 PolarHBondContact N-O 3.34Å; L273-L343 PolarHBondContact O-N 2.95Å; L273-I345 HydrophobicContact CD1-CG2 3.89Å; L273-I345 HydrophobicContact CG-CG2 4.42Å |
| 274 | H | 72.2 | Confident | 72.8 | Confident | 106 Ų | 106 | 61.1 Ų | 61.1 | 49% | 0.491 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -92.2 | 116.2 | 170.6 | -64.6 | 79 | 0 | 0 | 0 | 107.4 | E276 | H274-E276 PolarHBondContact O-N 2.94Š|
| 275 | P | 67 | Low | 73.3 | Confident | 34 Ų | 34 | 62 Ų | 62 | 22% | 0.221 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 123.2 | 179.2 | 22.2 | -29.3 | 0 | 0 | 0 | 109.7 | L273 A337 G339 Q341 | L273-P275 WeakPolarHBondContact O-CD 3.03Å; P275-A337 HydrophobicContact CB-CB 4.3Å; P275-G339 VanDerWaalsContact CB-O 3.29Å; P275-G339 WeakPolarHBondContact CB-O 3.46Å; P275-G339 WeakPolarHBondContact CG-O 3.31Å; P275-Q341 VanDerWaalsContact CD-O 3.32Å; P275-Q341 WeakPolarHBondContact CD-O 3.28Å; P275-Q341 WeakPolarHBondContact CG-O 3.46Å |
| 276 | E | 63.6 | Low | 73.5 | Confident | 138 Ų | 138 | 62.1 Ų | 62.1 | 65% | 0.645 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 139.4 | 173.2 | -71.7 | -179.6 | -175.4 | 0 | 0 | 109.6 | H274 V278 | H274-E276 PolarHBondContact O-N 2.94Å; E276-V278 PolarHBondContact O-N 2.83Å; E276-V278 VanDerWaalsContact O-N 3.09Å |
| 277 | P | 55.1 | Low | 73.5 | Confident | 135 Ų | 135 | 66.7 Ų | 66.7 | 88% | 0.877 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -70 | -4.9 | -175.2 | 26.8 | -34.2 | 0 | 0 | 0 | 114.4 | ||
| 278 | V | 54.2 | Low | 73.5 | Confident | 108 Ų | 108 | 67.3 Ų | 67.3 | 66% | 0.655 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -103.8 | 137.1 | -177.2 | -170.1 | 0 | 0 | 0 | 0 | 110 | E276 G280 | E276-V278 PolarHBondContact O-N 2.83Å; E276-V278 VanDerWaalsContact O-N 3.09Å; V278-G280 VanDerWaalsContact C-N 3.25Å; V278-G280 PolarHBondContact O-N 2.92Å |
| 279 | V | 46.8 | Very low | 73.7 | Confident | 158 Ų | 158 | 66.7 Ų | 66.7 | 96% | 0.958 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -64.2 | 83.5 | 180 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 280 | G | 53.6 | Low | 74 | Confident | 57 Ų | 57 | 64 Ų | 64 | 59% | 0.588 | 35% | 0.349 | S | S | * | . | trans | -173.6 | 41.3 | -179 | 0 | 0 | 0 | 0 | 0 | 108.7 | V278 K282 | V278-G280 VanDerWaalsContact C-N 3.25Å; V278-G280 PolarHBondContact O-N 2.92Å; G280-K282 PolarHBondContact O-N 2.83Å; G280-K282 VanDerWaalsContact O-N 3.09Å | ||
| 281 | S | 58.6 | Low | 74.3 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 37% | 0.371 | 35% | 0.349 | S | S | . | . | trans | -53.3 | 114.7 | -174 | 50.5 | 0 | 0 | 0 | 0 | 110.8 | M283 I336 | S281-M283 PolarHBondContact O-N 3.49Å; S281-I336 VanDerWaalsContact CB-CG2 3.43Å; S281-I336 WeakPolarHBondContact OG-CG2 3.31Å | ||
| 282 | K | 70.1 | Confident | 74.7 | Confident | 121 Ų | 121 | 62.9 Ų | 62.9 | 53% | 0.526 | 34% | 0.343 | S | S | . | . | trans | -50.1 | 111.8 | 173.3 | -174.2 | -177.8 | 172.6 | -156.5 | 0 | 108.8 | D215 G280 H284 | D215-K282 IonicContact OD2-NZ 3.94Å; D215-K282 PolarHBondContact OD2-NZ 3.36Å; G280-K282 PolarHBondContact O-N 2.83Å; G280-K282 VanDerWaalsContact O-N 3.09Å; K282-H284 WeakPolarHBondContact CD-NE2 3.32Å; K282-H284 WeakPolarHBondContact CE-NE2 3.28Å; K282-H284 PolarHBondContact NZ-NE2 3.48Å; K282-H284 PolarHBondContact O-CE1 3.01Å; K282-H284 PolarHBondContact O-ND1 2.98Å | ||
| 283 | M | 79.4 | Confident | 74.9 | Confident | 99 Ų | 99 | 61.7 Ų | 61.7 | 49% | 0.488 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 128.2 | 175.1 | -60.3 | -173.1 | 176.3 | 0 | 0 | 108.3 | S281 Y334 I336 | S281-M283 PolarHBondContact O-N 3.49Å; M283-Y334 HydrophobicContact CB-CD1 4.11Å; M283-I336 HydrophobicContact CE-CD1 3.87Å; M283-I336 HydrophobicContact CG-CD1 4.17Å; M283-I336 HydrophobicContact CG-CG1 4.04Å; M283-I336 HydrophobicContact SD-CD1 4.42Å |
| 284 | H | 82.8 | Confident | 75.4 | Confident | 24 Ų | 24 | 61.8 Ų | 61.8 | 11% | 0.111 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 119.2 | 176.6 | -67.2 | 76.5 | 0 | 0 | 0 | 109.3 | L273 K282 M286 Y334 I335 | L273-H284 HydrophobicContact CD1-CB 4.26Å; L273-H284 VanDerWaalsContact CD1-ND1 3.32Å; L273-H284 WeakPolarHBondContact CD1-ND1 3.33Å; L273-H284 VanDerWaalsContact CD2-CE1 3.44Å; L273-H284 WeakPolarHBondContact CD2-CE1 3.26Å; L273-H284 WeakPolarHBondContact CD2-NE2 3.16Å; K282-H284 WeakPolarHBondContact CD-NE2 3.32Å; K282-H284 WeakPolarHBondContact CE-NE2 3.28Å; K282-H284 PolarHBondContact NZ-NE2 3.48Å; K282-H284 PolarHBondContact O-CE1 3.01Å; K282-H284 PolarHBondContact O-ND1 2.98Å; H284-M286 HydrophobicContact CB-CE 3.69Å; H284-Y334 WeakPolarHBondContact O-CA 3.44Å; H284-I335 PolarHBondContact N-O 3.36Å; H284-I335 PolarHBondContact O-N 2.94Å |
| 285 | E | 87.2 | Confident | 75.9 | Confident | 123 Ų | 123 | 56.9 Ų | 56.9 | 58% | 0.575 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 128.3 | 176.3 | -169.2 | 166.5 | 167 | 0 | 0 | 109.6 | V333 Y334 | E285-V333 WeakPolarHBondContact CA-O 3.2Å; E285-Y334 HydrophobicContact CB-CD1 4.1Å; E285-Y334 HydrophobicContact CB-CE1 3.77Å; E285-Y334 HydrophobicContact CG-CD1 4.46Å; E285-Y334 HydrophobicContact CG-CE1 3.92Å; E285-Y334 PolarHBondContact OE2-OH 2.78Å |
| 286 | M | 87.7 | Confident | 76.7 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 3% | 0.034 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 160.6 | 175.8 | -58.7 | -68.8 | 143.3 | 0 | 0 | 110.2 | H284 F290 V333 I335 I345 D347 | H284-M286 HydrophobicContact CB-CE 3.69Å; M286-F290 HydrophobicContact CB-CB 4.33Å; M286-F290 HydrophobicContact CG-CB 4.05Å; M286-F290 HydrophobicContact SD-CB 4.27Å; M286-V333 HydrophobicContact CB-CB 4.06Å; M286-V333 HydrophobicContact CB-CG1 3.91Å; M286-V333 HydrophobicContact CG-CG1 4.32Å; M286-V333 PolarHBondContact N-O 3.09Å; M286-I335 HydrophobicContact CE-CB 4.33Å; M286-I335 HydrophobicContact CE-CD1 4.41Å; M286-I335 HydrophobicContact CG-CD1 3.71Å; M286-I335 HydrophobicContact CG-CG1 4.23Å; M286-I335 HydrophobicContact SD-CD1 4.43Å; M286-I345 HydrophobicContact CE-CD1 3.53Å; M286-I345 HydrophobicContact CE-CG1 3.99Å; M286-I345 HydrophobicContact CE-CG2 3.97Å; M286-I345 HydrophobicContact CG-CD1 4.42Å; M286-I345 HydrophobicContact SD-CD1 3.79Å; M286-I345 HydrophobicContact SD-CG1 4.09Å; M286-D347 HydrophobicContact SD-CB 4.14Å |
| 287 | R | 86.1 | Confident | 77.9 | Confident | 103 Ų | 103 | 54.8 Ų | 54.8 | 39% | 0.389 | 31% | 0.305 | S | S | . | . | trans | -76.7 | -112.5 | 173.3 | -64.9 | -178.9 | 173.4 | -167.9 | 0.3 | 109.9 | N268 T328 D347 E353 | N268-R287 PolarHBondContact ND2-NE 2.92Å; R287-T328 WeakPolarHBondContact O-CG2 3.24Å; R287-D347 WeakPolarHBondContact CB-OD1 3.34Å; R287-D347 WeakPolarHBondContact CD-OD2 3.4Å; R287-D347 WeakPolarHBondContact CG-OD2 3.05Å; R287-D347 PolarHBondContact N-OD1 3.03Å; R287-D347 IonicContact NE-OD2 2.6Å; R287-E353 IonicContact NH1-OE1 2.78Å | ||
| 288 | D | 87.4 | Confident | 79.5 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 8% | 0.08 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -113.5 | -29.7 | -173.9 | 59.4 | -44.7 | 0 | 0 | 0 | 113 | Y325 A326 T328 T349 T350 | D288-Y325 HydrophobicContact CB-CD2 4.43Å; D288-Y325 HydrophobicContact CB-CE2 4.04Å; D288-Y325 CarbonylContact O-C 3.55Å; D288-Y325 VanDerWaalsContact O-CA 3.23Å; D288-Y325 WeakPolarHBondContact O-CA 2.97Å; D288-Y325 WeakPolarHBondContact O-CD2 3.44Å; D288-A326 VanDerWaalsContact CA-O 3.27Å; D288-A326 WeakPolarHBondContact CA-O 3.07Å; D288-A326 PolarHBondContact O-N 3.29Å; D288-T328 HydrophobicContact CB-CG2 4.41Å; D288-T349 VanDerWaalsContact OD1-CA 3.26Å; D288-T349 WeakPolarHBondContact OD1-CA 3.04Å; D288-T350 VanDerWaalsContact OD2-CB 3.31Å; D288-T350 WeakPolarHBondContact OD2-CB 3.39Å; D288-T350 WeakPolarHBondContact OD2-CG2 3.42Å; D288-T350 PolarHBondContact OD2-N 2.89Å; D288-T350 PolarHBondContact OD2-OG1 3.48Å |
| 289 | L | 89.8 | Confident | 81.3 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.9 | 176.2 | 178.5 | 72.7 | 0 | 0 | 0 | 109.6 | F256 P262 A265 I291 I323 G324 G348 T350 | F256-L289 HydrophobicContact CE1-CD1 4.37Å; F256-L289 HydrophobicContact CE1-CD2 3.99Å; F256-L289 HydrophobicContact CZ-CD1 4.38Å; F256-L289 HydrophobicContact CZ-CD2 4.07Å; P262-L289 HydrophobicContact CG-CD1 4.39Å; P262-L289 HydrophobicContact CG-CD2 4.35Å; A265-L289 HydrophobicContact CB-CD2 4.01Å; L289-I291 HydrophobicContact CD2-CD1 4.46Å; L289-I291 HydrophobicContact CG-CD1 4.43Å; L289-I323 HydrophobicContact CD1-CG2 3.84Å; L289-G324 WeakPolarHBondContact CA-O 3.48Å; L289-G348 PolarHBondContact N-O 2.75Å; L289-G348 PolarHBondContact O-N 3.09Å; L289-G348 VanDerWaalsContact O-O 3.12Å; L289-T350 HydrophobicContact CB-CG2 4.14Å |
| 290 | F | 91.1 | Very high | 83.4 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 144.3 | 173.5 | 60.1 | -88.9 | 0 | 0 | 0 | 110.5 | V190 M286 L299 I318 G324 V333 I335 I345 C346 | V190-F290 HydrophobicContact CG2-CZ 4.4Å; M286-F290 HydrophobicContact CB-CB 4.33Å; M286-F290 HydrophobicContact CG-CB 4.05Å; M286-F290 HydrophobicContact SD-CB 4.27Å; F290-L299 HydrophobicContact CE1-CD1 3.93Å; F290-L299 HydrophobicContact CE2-CD1 4.04Å; F290-L299 HydrophobicContact CE2-CD2 4.41Å; F290-L299 HydrophobicContact CZ-CD1 3.44Å; F290-L299 VanDerWaalsContact CZ-CD1 3.44Å; F290-L299 HydrophobicContact CZ-CD2 3.7Å; F290-L299 HydrophobicContact CZ-CG 4.17Å; F290-I318 HydrophobicContact CE2-CD1 4.42Å; F290-G324 WeakPolarHBondContact CD1-O 3.49Å; F290-G324 VanDerWaalsContact CZ-CA 3.41Å; F290-G324 PolarHBondContact N-O 3.31Å; F290-G324 PolarHBondContact O-N 3.46Å; F290-V333 HydrophobicContact CD1-CG1 3.82Å; F290-V333 HydrophobicContact CE1-CG1 3.67Å; F290-V333 HydrophobicContact CZ-CG1 4.48Å; F290-I335 HydrophobicContact CB-CD1 4.14Å; F290-I335 HydrophobicContact CD1-CD1 4.45Å; F290-I335 HydrophobicContact CD2-CD1 3.53Å; F290-I335 HydrophobicContact CE2-CD1 3.97Å; F290-I335 HydrophobicContact CG-CD1 3.79Å; F290-I345 HydrophobicContact CB-CD1 4.38Å; F290-C346 CarbonylContact C-O 3.53Å; F290-C346 WeakPolarHBondContact CA-O 3.37Å |
| 291 | I | 90.4 | Very high | 85.1 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127.7 | 176.8 | -52.5 | 110.4 | 0 | 0 | 0 | 109.5 | L249 F253 F256 L289 G293 I323 C346 | L249-I291 HydrophobicContact CD1-CD1 3.63Å; F253-I291 HydrophobicContact CD1-CG2 3.57Å; F253-I291 HydrophobicContact CD2-CB 4.42Å; F253-I291 HydrophobicContact CD2-CD1 4.3Å; F253-I291 HydrophobicContact CD2-CG1 4.5Å; F253-I291 HydrophobicContact CD2-CG2 4.09Å; F253-I291 HydrophobicContact CE1-CB 4.31Å; F253-I291 HydrophobicContact CE1-CG2 3.34Å; F253-I291 HydrophobicContact CE2-CB 4.03Å; F253-I291 HydrophobicContact CE2-CD1 4.26Å; F253-I291 HydrophobicContact CE2-CG1 4.49Å; F253-I291 HydrophobicContact CE2-CG2 3.88Å; F253-I291 HydrophobicContact CG-CG2 3.94Å; F253-I291 HydrophobicContact CZ-CB 3.98Å; F253-I291 HydrophobicContact CZ-CG2 3.51Å; F256-I291 HydrophobicContact CE2-CD1 3.88Å; F256-I291 HydrophobicContact CE2-CG1 3.77Å; F256-I291 HydrophobicContact CZ-CD1 3.8Å; F256-I291 HydrophobicContact CZ-CG1 3.7Å; L289-I291 HydrophobicContact CD2-CD1 4.46Å; L289-I291 HydrophobicContact CG-CD1 4.43Å; I291-G293 PolarHBondContact O-N 3.47Å; I291-I323 HydrophobicContact CG1-CG1 4.22Å; I291-I323 HydrophobicContact CG1-CG2 4.33Å; I291-I323 HydrophobicContact CG2-CG1 4.09Å; I291-C346 HydrophobicContact CB-CB 4.41Å; I291-C346 HydrophobicContact CD1-CB 4.4Å; I291-C346 PolarHBondContact N-O 2.61Å; I291-C346 PolarHBondContact O-N 3.37Å |
| 292 | M | 89.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 113.3 | 172.4 | -66.1 | -56.6 | -66.1 | 0 | 0 | 109.1 | A297 I318 E319 G321 D322 L343 I345 | M292-A297 HydrophobicContact CE-CB 3.67Å; M292-I318 HydrophobicContact CE-CD1 3.86Å; M292-I318 HydrophobicContact CE-CG1 3.92Å; M292-I318 HydrophobicContact CG-CB 4.07Å; M292-I318 HydrophobicContact CG-CD1 3.68Å; M292-I318 HydrophobicContact CG-CG1 3.99Å; M292-I318 HydrophobicContact SD-CD1 3.26Å; M292-I318 WeakPolarHBondContact SD-CD1 3.5Å; M292-I318 HydrophobicContact SD-CG1 3.92Å; M292-E319 WeakPolarHBondContact CB-O 3.48Å; M292-G321 VanDerWaalsContact O-CA 3.32Å; M292-G321 WeakPolarHBondContact O-CA 3.31Å; M292-G321 PolarHBondContact O-N 2.97Å; M292-D322 HydrophobicContact CB-CB 4.29Å; M292-D322 HydrophobicContact CG-CB 4.23Å; M292-D322 PolarHBondContact N-O 3.26Å; M292-L343 HydrophobicContact CE-CD1 3.34Å; M292-L343 HydrophobicContact CE-CD2 4.44Å; M292-L343 HydrophobicContact CE-CG 4.3Å; M292-I345 HydrophobicContact SD-CD1 3.77Å; M292-I345 HydrophobicContact SD-CG1 4.3Å |
| 293 | G | 85.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -61.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I202 I291 V344 | I202-G293 VanDerWaalsContact CD1-C 3.47Å; I291-G293 PolarHBondContact O-N 3.47Å; G293-V344 WeakPolarHBondContact CA-O 3.48Å; G293-V344 PolarHBondContact N-O 3.32Å |
| 294 | S | 84.9 | Confident | 87.7 | Confident | 13 Ų | 13 | 26.6 Ų | 26.6 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 153.9 | -174.9 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | L343 V344 | S294-L343 CarbonylContact O-C 3.52Å; S294-L343 WeakPolarHBondContact O-CA 3.44Å; S294-L343 WeakPolarHBondContact O-CD1 3.31Å; S294-V344 PolarHBondContact N-O 2.98Å; S294-V344 PolarHBondContact O-N 3.37Å |
| 295 | G | 83.6 | Confident | 87.7 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 80.5 | 171.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P320 | G295-P320 WeakPolarHBondContact O-CG 3.37Š|
| 296 | E | 84.3 | Confident | 87.4 | Confident | 124 Ų | 124 | 33.9 Ų | 33.9 | 58% | 0.579 | 16% | 0.159 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 143.2 | -177.9 | -65.6 | 176.1 | -166.9 | 0 | 0 | 110.8 | R338 | E296-R338 HydrophobicContact CB-CB 4.45Å; E296-R338 PolarHBondContact O-N 3.06Å |
| 297 | A | 88.2 | Confident | 87.1 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 168.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M292 I318 I335 I336 L343 | M292-A297 HydrophobicContact CE-CB 3.67Å; A297-I318 HydrophobicContact CB-CD1 3.93Å; A297-I318 HydrophobicContact CB-CG1 3.76Å; A297-I318 PolarHBondContact N-O 2.84Å; A297-I318 WeakPolarHBondContact O-CG1 3.42Å; A297-I318 PolarHBondContact O-N 3.47Å; A297-I335 HydrophobicContact CB-CG2 3.69Å; A297-I336 CarbonylContact C-O 3.54Å; A297-I336 VanDerWaalsContact CA-O 3.24Å; A297-I336 WeakPolarHBondContact CA-O 3.26Å; A297-I336 VanDerWaalsContact CB-O 3.28Å; A297-I336 WeakPolarHBondContact CB-O 3.31Å; A297-L343 HydrophobicContact CB-CD1 4.12Å; A297-L343 HydrophobicContact CB-CD2 3.85Å |
| 298 | M | 89.6 | Confident | 87 | Confident | 29 Ų | 29 | 35.7 Ų | 35.7 | 14% | 0.143 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.1 | 166 | -67.4 | -68.4 | -62.2 | 0 | 0 | 109.4 | A315 M316 P317 I335 I336 R338 | M298-A315 HydrophobicContact CE-CB 4.36Å; M298-M316 WeakPolarHBondContact CA-O 3.39Å; M298-P317 VanDerWaalsContact SD-CA 3.51Å; M298-P317 HydrophobicContact SD-CB 3.75Å; M298-I335 WeakPolarHBondContact O-CA 3.38Å; M298-I336 HydrophobicContact CB-CB 4.29Å; M298-I336 PolarHBondContact N-O 3.28Å; M298-I336 PolarHBondContact O-N 2.86Å; M298-R338 VanDerWaalsContact CG-CD 3.49Å; M298-R338 HydrophobicContact CG-CG 4.03Å; M298-R338 VanDerWaalsContact SD-CZ 3.55Å; M298-R338 PolarHBondContact SD-NH1 2.87Å |
| 299 | L | 91.4 | Very high | 86.7 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 132.4 | 164.6 | 177.6 | 65.1 | 0 | 0 | 0 | 109 | L171 V190 F290 L301 A315 M316 I318 V333 I335 | L171-L299 HydrophobicContact CD2-CD2 4.49Å; V190-L299 HydrophobicContact CG2-CD2 3.78Å; F290-L299 HydrophobicContact CE1-CD1 3.93Å; F290-L299 HydrophobicContact CE2-CD1 4.04Å; F290-L299 HydrophobicContact CE2-CD2 4.41Å; F290-L299 HydrophobicContact CZ-CD1 3.44Å; F290-L299 VanDerWaalsContact CZ-CD1 3.44Å; F290-L299 HydrophobicContact CZ-CD2 3.7Å; F290-L299 HydrophobicContact CZ-CG 4.17Å; L299-L301 HydrophobicContact CD1-CD2 4.06Å; L299-L301 HydrophobicContact CD1-CG 4.47Å; L299-L301 HydrophobicContact CD2-CD1 4.43Å; L299-L301 HydrophobicContact CD2-CD2 4.49Å; L299-L301 HydrophobicContact CD2-CG 4.28Å; L299-L301 HydrophobicContact CG-CD2 4.34Å; L299-L301 HydrophobicContact CG-CG 4.21Å; L299-A315 CarbonylContact O-C 3.59Å; L299-A315 WeakPolarHBondContact O-CA 3.44Å; L299-M316 HydrophobicContact CB-CG 4.05Å; L299-M316 HydrophobicContact CD2-CG 4.04Å; L299-M316 HydrophobicContact CD2-SD 4.31Å; L299-M316 PolarHBondContact N-O 3.1Å; L299-M316 PolarHBondContact O-N 2.88Å; L299-I318 HydrophobicContact CB-CD1 4.19Å; L299-I318 HydrophobicContact CB-CG2 3.77Å; L299-I318 HydrophobicContact CD2-CG2 4.44Å; L299-V333 HydrophobicContact CD1-CG1 3.7Å; L299-I335 HydrophobicContact CD1-CD1 4.36Å; L299-I335 HydrophobicContact CD1-CG1 4.01Å |
| 300 | Q | 90.8 | Very high | 86.3 | Confident | 46 Ų | 46 | 46.7 Ų | 46.7 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 116.9 | 170.8 | -168.6 | 178.3 | 22.1 | 0 | 0 | 109.7 | I302 V314 Y334 | Q300-I302 HydrophobicContact CG-CD1 4.15Å; Q300-I302 HydrophobicContact CG-CG1 3.89Å; Q300-V314 CarbonylContact C-O 3.53Å; Q300-V314 WeakPolarHBondContact CA-O 3.49Å; Q300-Y334 PolarHBondContact N-O 3.48Å; Q300-Y334 PolarHBondContact O-N 2.92Å |
| 301 | L | 89.8 | Confident | 85.9 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 116.3 | 175.4 | -61.2 | 178.8 | 0 | 0 | 0 | 109 | L171 P188 L299 S313 V314 A326 W331 K332 V333 | L171-L301 HydrophobicContact CD1-CD1 3.9Å; L171-L301 HydrophobicContact CD2-CD1 4.26Å; L171-L301 HydrophobicContact CG-CD1 4.5Å; P188-L301 HydrophobicContact CB-CD1 3.78Å; P188-L301 HydrophobicContact CG-CD1 4.32Å; L299-L301 HydrophobicContact CD1-CD2 4.06Å; L299-L301 HydrophobicContact CD1-CG 4.47Å; L299-L301 HydrophobicContact CD2-CD1 4.43Å; L299-L301 HydrophobicContact CD2-CD2 4.49Å; L299-L301 HydrophobicContact CD2-CG 4.28Å; L299-L301 HydrophobicContact CG-CD2 4.34Å; L299-L301 HydrophobicContact CG-CG 4.21Å; L301-S313 CarbonylContact O-C 3.54Å; L301-S313 VanDerWaalsContact O-CA 3.28Å; L301-S313 WeakPolarHBondContact O-CA 3.47Å; L301-V314 HydrophobicContact CB-CB 4.38Å; L301-V314 PolarHBondContact N-O 2.79Å; L301-V314 PolarHBondContact O-N 2.79Å; L301-A326 HydrophobicContact CD2-CB 3.98Å; L301-W331 HydrophobicContact CB-CD2 4.38Å; L301-W331 HydrophobicContact CB-CE3 3.66Å; L301-W331 HydrophobicContact CB-CZ3 4.01Å; L301-K332 WeakPolarHBondContact CA-O 3.26Å; L301-V333 HydrophobicContact CD2-CB 4.22Å; L301-V333 HydrophobicContact CD2-CG1 4.03Å; L301-V333 HydrophobicContact CD2-CG2 3.84Å |
| 302 | I | 88.8 | Confident | 85.5 | Confident | 30 Ų | 30 | 55 Ų | 55 | 15% | 0.154 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.3 | -176.9 | -55 | -177.8 | 0 | 0 | 0 | 109 | Q300 K332 Y334 | Q300-I302 HydrophobicContact CG-CD1 4.15Å; Q300-I302 HydrophobicContact CG-CG1 3.89Å; I302-K332 HydrophobicContact CB-CB 4.49Å; I302-K332 PolarHBondContact N-O 3.41Å; I302-K332 PolarHBondContact O-N 3.5Å; I302-Y334 HydrophobicContact CD1-CD2 3.73Å; I302-Y334 HydrophobicContact CD1-CE2 3.91Å; I302-Y334 HydrophobicContact CG1-CD2 4.12Å; I302-Y334 HydrophobicContact CG1-CE2 4.42Å |
| 303 | P | 88.1 | Confident | 85.3 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | trans | -70.8 | 153.8 | 174.4 | 29.4 | -32.4 | 0 | 0 | 0 | 110.6 | C307 R308 C311 W331 | P303-C307 HydrophobicContact CB-CB 4.43Å; P303-R308 HydrophobicContact CG-CG 4.32Å; P303-C311 HydrophobicContact CB-CB 3.8Å; P303-C311 HydrophobicContact CG-CB 3.86Å; P303-W331 HydrophobicContact CB-CE3 4.39Å; P303-W331 HydrophobicContact CB-CZ3 4.26Å; P303-W331 HydrophobicContact CG-CZ3 4.35Å | ||
| 304 | P | 84.9 | Confident | 85.5 | Confident | 27 Ų | 27 | 60.7 Ų | 60.7 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | trans | -59.3 | 153 | 175.5 | 25.8 | -34.1 | 0 | 0 | 0 | 110.8 | Q306 C307 R308 H330 | P304-Q306 PolarHBondContact O-N 2.88Å; P304-Q306 VanDerWaalsContact O-N 3.09Å; P304-C307 HydrophobicContact CG-CB 4.11Å; P304-C307 PolarHBondContact O-N 2.93Å; P304-R308 PolarHBondContact O-N 2.83Å; P304-H330 WeakPolarHBondContact CD-O 3.34Å | ||
| 305 | F | 82.7 | Confident | 85.7 | Confident | 160 Ų | 160 | 63.2 Ų | 63.2 | 70% | 0.702 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -53 | -39 | -171.6 | -179.4 | -99.2 | 0 | 0 | 0 | 113 | C307 R308 | F305-C307 PolarHBondContact O-N 3.41Å; F305-R308 PolarHBondContact O-N 2.99Å |
| 306 | Q | 82 | Confident | 86 | Confident | 140 Ų | 140 | 64.2 Ų | 64.2 | 65% | 0.654 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -63.7 | -28.2 | 179.7 | -58 | 82.9 | 0 | 0 | 0 | 112.8 | P304 | P304-Q306 PolarHBondContact O-N 2.88Å; P304-Q306 VanDerWaalsContact O-N 3.09Å |
| 307 | C | 81.6 | Confident | 86.2 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -98.2 | -2.1 | -176.2 | -58.8 | 0 | 0 | 0 | 0 | 113.8 | C163 P303 P304 F305 K309 H310 C311 | C163-C307 WeakPolarHBondContact CA-SG 3.22Å; C163-C307 HydrophobicContact CB-CB 3.69Å; C163-C307 WeakPolarHBondContact CB-SG 3.19Å; C163-C307 WeakPolarHBondContact SG-CA 3.33Å; C163-C307 WeakPolarHBondContact SG-CB 3.4Å; C163-C307 CovalentContact SG-SG 2.04Å; C163-C307 PolarHBondContact SG-SG 2.98Å; P303-C307 HydrophobicContact CB-CB 4.43Å; P304-C307 HydrophobicContact CG-CB 4.11Å; P304-C307 PolarHBondContact O-N 2.93Å; F305-C307 PolarHBondContact O-N 3.41Å; C307-K309 PolarHBondContact O-N 3.02Å; C307-K309 VanDerWaalsContact O-N 3.14Å; C307-H310 PolarHBondContact O-N 2.75Å; C307-C311 WeakPolarHBondContact O-CB 3.23Å; C307-C311 PolarHBondContact O-N 3Å |
| 308 | R | 83.1 | Confident | 86.3 | Confident | 146 Ų | 146 | 62.2 Ų | 62.2 | 55% | 0.551 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.8 | 179.3 | -71 | -176.6 | 179.9 | -171.9 | -1 | 114.3 | P303 P304 F305 H310 | P303-R308 HydrophobicContact CG-CG 4.32Å; P304-R308 PolarHBondContact O-N 2.83Å; F305-R308 PolarHBondContact O-N 2.99Å; R308-H310 VanDerWaalsContact C-N 3.3Å |
| 309 | K | 81.2 | Confident | 86.3 | Confident | 184 Ų | 184 | 66.1 Ų | 66.1 | 80% | 0.8 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -28.1 | 172.6 | -67.9 | -173.2 | 175.9 | -173.6 | 0 | 112.8 | C307 | C307-K309 PolarHBondContact O-N 3.02Å; C307-K309 VanDerWaalsContact O-N 3.14Å |
| 310 | H | 81.6 | Confident | 86.1 | Confident | 64 Ų | 64 | 67.7 Ų | 67.7 | 30% | 0.296 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -18.4 | -174.7 | -55.8 | -68.7 | 0 | 0 | 0 | 113.2 | P160 A167 C307 R308 | P160-H310 WeakPolarHBondContact CD-NE2 3.47Å; A167-H310 HydrophobicContact CB-CB 4.19Å; C307-H310 PolarHBondContact O-N 2.75Å; R308-H310 VanDerWaalsContact C-N 3.3Å |
| 311 | C | 81.7 | Confident | 85.8 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | trans | -130.5 | 133 | -172 | -53.3 | 0 | 0 | 0 | 0 | 110.2 | C166 A167 P303 C307 | C166-C311 HydrophobicContact CB-CB 3.65Å; C166-C311 WeakPolarHBondContact CB-SG 3.4Å; C166-C311 WeakPolarHBondContact SG-CB 3.28Å; C166-C311 CovalentContact SG-SG 2.03Å; C166-C311 PolarHBondContact SG-SG 3.45Å; A167-C311 PolarHBondContact N-SG 2.84Å; P303-C311 HydrophobicContact CB-CB 3.8Å; P303-C311 HydrophobicContact CG-CB 3.86Å; C307-C311 WeakPolarHBondContact O-CB 3.23Å; C307-C311 PolarHBondContact O-N 3Å | ||
| 312 | Q | 82.9 | Confident | 85.8 | Confident | 170 Ų | 170 | 65.9 Ų | 65.9 | 79% | 0.794 | 34% | 0.335 | S | S | * | . | trans | -91.9 | 151.1 | 174.1 | -65.5 | -176.7 | 1.5 | 0 | 0 | 110.6 | ||||
| 313 | S | 85.9 | Confident | 85.8 | Confident | 75 Ų | 75 | 64.8 Ų | 64.8 | 52% | 0.524 | 33% | 0.33 | S | S | . | . | trans | -71.2 | 138.1 | 169.9 | 54.8 | 0 | 0 | 0 | 0 | 110.3 | L301 | L301-S313 CarbonylContact O-C 3.54Å; L301-S313 VanDerWaalsContact O-CA 3.28Å; L301-S313 WeakPolarHBondContact O-CA 3.47Å | ||
| 314 | V | 88 | Confident | 85.9 | Confident | 44 Ų | 44 | 64.7 Ų | 64.7 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 135 | 178 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | L171 Q300 L301 | L171-V314 HydrophobicContact CB-CG1 4.12Å; L171-V314 HydrophobicContact CD2-CG1 3.7Å; Q300-V314 CarbonylContact C-O 3.53Å; Q300-V314 WeakPolarHBondContact CA-O 3.49Å; L301-V314 HydrophobicContact CB-CB 4.38Å; L301-V314 PolarHBondContact N-O 2.79Å; L301-V314 PolarHBondContact O-N 2.79Å |
| 315 | A | 89.5 | Confident | 86.1 | Confident | 65 Ų | 65 | 64 Ų | 64 | 54% | 0.537 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 131.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | M298 L299 | M298-A315 HydrophobicContact CE-CB 4.36Å; L299-A315 CarbonylContact O-C 3.59Å; L299-A315 WeakPolarHBondContact O-CA 3.44Å |
| 316 | M | 89 | Confident | 86.4 | Confident | 24 Ų | 24 | 56.5 Ų | 56.5 | 12% | 0.118 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 149.7 | 177.4 | 64.4 | 155 | -79.1 | 0 | 0 | 112.3 | L171 V173 V190 M298 L299 I318 | L171-M316 HydrophobicContact CD2-CG 3.88Å; L171-M316 HydrophobicContact CD2-SD 3.57Å; L171-M316 VanDerWaalsContact CD2-SD 3.57Å; V173-M316 HydrophobicContact CG2-SD 3.86Å; V190-M316 HydrophobicContact CB-SD 4.34Å; V190-M316 HydrophobicContact CG1-CE 4.13Å; V190-M316 HydrophobicContact CG1-SD 4.46Å; V190-M316 HydrophobicContact CG2-SD 4.07Å; M298-M316 WeakPolarHBondContact CA-O 3.39Å; L299-M316 HydrophobicContact CB-CG 4.05Å; L299-M316 HydrophobicContact CD2-CG 4.04Å; L299-M316 HydrophobicContact CD2-SD 4.31Å; L299-M316 PolarHBondContact N-O 3.1Å; L299-M316 PolarHBondContact O-N 2.88Å; M316-I318 HydrophobicContact CE-CG2 3.64Å |
| 317 | P | 89.9 | Confident | 86.6 | Confident | 84 Ų | 84 | 50.5 Ų | 50.5 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 132.6 | 172.6 | 29.8 | -33.4 | 0 | 0 | 0 | 111.1 | M298 | M298-P317 VanDerWaalsContact SD-CA 3.51Å; M298-P317 HydrophobicContact SD-CB 3.75Å |
| 318 | I | 89.9 | Confident | 86.7 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 141.7 | 175.8 | 53.8 | -178.1 | 0 | 0 | 0 | 109.8 | F290 M292 A297 L299 M316 I335 | F290-I318 HydrophobicContact CE2-CD1 4.42Å; M292-I318 HydrophobicContact CE-CD1 3.86Å; M292-I318 HydrophobicContact CE-CG1 3.92Å; M292-I318 HydrophobicContact CG-CB 4.07Å; M292-I318 HydrophobicContact CG-CD1 3.68Å; M292-I318 HydrophobicContact CG-CG1 3.99Å; M292-I318 HydrophobicContact SD-CD1 3.26Å; M292-I318 WeakPolarHBondContact SD-CD1 3.5Å; M292-I318 HydrophobicContact SD-CG1 3.92Å; A297-I318 HydrophobicContact CB-CD1 3.93Å; A297-I318 HydrophobicContact CB-CG1 3.76Å; A297-I318 PolarHBondContact N-O 2.84Å; A297-I318 WeakPolarHBondContact O-CG1 3.42Å; A297-I318 PolarHBondContact O-N 3.47Å; L299-I318 HydrophobicContact CB-CD1 4.19Å; L299-I318 HydrophobicContact CB-CG2 3.77Å; L299-I318 HydrophobicContact CD2-CG2 4.44Å; M316-I318 HydrophobicContact CE-CG2 3.64Å; I318-I335 HydrophobicContact CD1-CD1 3.99Å; I318-I335 HydrophobicContact CD1-CG1 4.14Å; I318-I335 HydrophobicContact CD1-CG2 4.05Å |
| 319 | E | 88.8 | Confident | 86.6 | Confident | 111 Ų | 111 | 51.7 Ų | 51.7 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | trans | -111.1 | 161.2 | -174.4 | -70.4 | 167.4 | 145.9 | 0 | 0 | 110.6 | K192 M292 G321 D322 | K192-E319 IonicContact NZ-OE2 2.79Å; K192-E319 PolarHBondContact NZ-OE2 2.94Å; M292-E319 WeakPolarHBondContact CB-O 3.48Å; E319-G321 PolarHBondContact O-N 3.47Å; E319-D322 PolarHBondContact N-OD2 3.08Å; E319-D322 VanDerWaalsContact O-CB 3.27Å; E319-D322 WeakPolarHBondContact O-CB 3.41Å; E319-D322 VanDerWaalsContact O-CG 3.23Å; E319-D322 PolarHBondContact O-N 3.41Å; E319-D322 VanDerWaalsContact O-N 3.12Å | ||
| 320 | P | 87.6 | Confident | 86.7 | Confident | 35 Ų | 35 | 44 Ų | 44 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 134.1 | 174.8 | -21.1 | 31.4 | 0 | 0 | 0 | 112 | P196 G295 | P196-P320 HydrophobicContact CB-CB 3.81Å; G295-P320 WeakPolarHBondContact O-CG 3.37Å |
| 321 | G | 85.3 | Confident | 86.9 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 7% | 0.072 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -12.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | T193 M292 E319 | T193-G321 VanDerWaalsContact CG2-O 3.32Å; T193-G321 WeakPolarHBondContact CG2-O 3.49Å; T193-G321 PolarHBondContact OG1-O 3.11Å; M292-G321 VanDerWaalsContact O-CA 3.32Å; M292-G321 WeakPolarHBondContact O-CA 3.31Å; M292-G321 PolarHBondContact O-N 2.97Å; E319-G321 PolarHBondContact O-N 3.47Å |
| 322 | D | 89.9 | Confident | 87.2 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.011 | 26% | 0.26 | C | S | . | . | trans | -65.9 | 138.1 | 179.4 | -71 | -11.4 | 0 | 0 | 0 | 111.9 | V190 K192 M292 E319 | V190-D322 HydrophobicContact CG1-CB 4.49Å; K192-D322 VanDerWaalsContact CD-CG 3.42Å; K192-D322 WeakPolarHBondContact CD-OD1 3.15Å; K192-D322 VanDerWaalsContact CD-OD2 3.26Å; K192-D322 WeakPolarHBondContact CD-OD2 3.25Å; K192-D322 WeakPolarHBondContact CE-OD2 3.24Å; K192-D322 IonicContact NZ-OD1 2.69Å; K192-D322 IonicContact NZ-OD2 2.85Å; K192-D322 PolarHBondContact NZ-OD2 3.03Å; M292-D322 HydrophobicContact CB-CB 4.29Å; M292-D322 HydrophobicContact CG-CB 4.23Å; M292-D322 PolarHBondContact N-O 3.26Å; E319-D322 PolarHBondContact N-OD2 3.08Å; E319-D322 VanDerWaalsContact O-CB 3.27Å; E319-D322 WeakPolarHBondContact O-CB 3.41Å; E319-D322 VanDerWaalsContact O-CG 3.23Å; E319-D322 PolarHBondContact O-N 3.41Å; E319-D322 VanDerWaalsContact O-N 3.12Å | ||
| 323 | I | 89.4 | Confident | 87.6 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124.1 | 176.5 | -59.1 | 168 | 0 | 0 | 0 | 107.5 | V190 I191 T193 V255 F256 L259 L289 I291 | V190-I323 CarbonylContact C-O 3.58Å; V190-I323 WeakPolarHBondContact CA-O 3.41Å; I191-I323 HydrophobicContact CB-CB 4.49Å; I191-I323 PolarHBondContact N-O 3.26Å; I191-I323 PolarHBondContact O-N 3.33Å; T193-I323 HydrophobicContact CG2-CD1 3.92Å; T193-I323 HydrophobicContact CG2-CG1 4.23Å; V255-I323 HydrophobicContact CB-CD1 4.06Å; V255-I323 HydrophobicContact CG1-CD1 3.72Å; F256-I323 HydrophobicContact CE1-CG2 4.38Å; F256-I323 HydrophobicContact CE2-CD1 4Å; F256-I323 HydrophobicContact CZ-CD1 4.04Å; F256-I323 HydrophobicContact CZ-CG1 4.4Å; F256-I323 HydrophobicContact CZ-CG2 3.91Å; L259-I323 HydrophobicContact CD1-CD1 3.71Å; L289-I323 HydrophobicContact CD1-CG2 3.84Å; I291-I323 HydrophobicContact CG1-CG1 4.22Å; I291-I323 HydrophobicContact CG1-CG2 4.33Å; I291-I323 HydrophobicContact CG2-CG1 4.09Å |
| 324 | G | 89.6 | Confident | 87.8 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | L189 L289 F290 | L189-G324 CarbonylContact O-C 3.58Å; L189-G324 VanDerWaalsContact O-CA 3.31Å; L189-G324 WeakPolarHBondContact O-CA 3.37Å; L289-G324 WeakPolarHBondContact CA-O 3.48Å; F290-G324 WeakPolarHBondContact CD1-O 3.49Å; F290-G324 VanDerWaalsContact CZ-CA 3.41Å; F290-G324 PolarHBondContact N-O 3.31Å; F290-G324 PolarHBondContact O-N 3.46Å |
| 325 | Y | 89.1 | Confident | 87.8 | Confident | 14 Ų | 14 | 33.8 Ų | 33.8 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 137.4 | 174.6 | 173.6 | -94.5 | 0 | 0 | 0 | 111 | F183 R185 P188 L189 D288 T350 | F183-Y325 HydrophobicContact CE1-CD1 4.02Å; F183-Y325 HydrophobicContact CE1-CD2 4.26Å; F183-Y325 AromaticContact CE1-CE1 3.5Å; F183-Y325 HydrophobicContact CE1-CE1 3.5Å; F183-Y325 AromaticContact CE1-CE2 3.8Å; F183-Y325 HydrophobicContact CE1-CE2 3.8Å; F183-Y325 HydrophobicContact CE1-CG 4.34Å; F183-Y325 AromaticContact CE1-CZ 3.36Å; F183-Y325 AromaticContact CE2-CD1 3.74Å; F183-Y325 HydrophobicContact CE2-CD1 3.74Å; F183-Y325 HydrophobicContact CE2-CE1 4.05Å; F183-Y325 AromaticContact CE2-CG 3.98Å; F183-Y325 HydrophobicContact CE2-CG 3.98Å; F183-Y325 AromaticContact CZ-CD1 3.11Å; F183-Y325 HydrophobicContact CZ-CD1 3.11Å; F183-Y325 AromaticContact CZ-CD2 3.57Å; F183-Y325 HydrophobicContact CZ-CD2 3.57Å; F183-Y325 AromaticContact CZ-CE1 3.08Å; F183-Y325 HydrophobicContact CZ-CE1 3.08Å; F183-Y325 AromaticContact CZ-CE2 3.57Å; F183-Y325 HydrophobicContact CZ-CE2 3.57Å; F183-Y325 AromaticContact CZ-CG 3.32Å; F183-Y325 HydrophobicContact CZ-CG 3.32Å; F183-Y325 AromaticContact CZ-CZ 3.3Å; R185-Y325 WeakPolarHBondContact CB-OH 3.27Å; R185-Y325 VanDerWaalsContact O-CE1 3.3Å; R185-Y325 WeakPolarHBondContact O-CE1 3.3Å; R185-Y325 PolarHBondContact O-OH 3.24Å; P188-Y325 CarbonylContact C-O 3.56Å; P188-Y325 VanDerWaalsContact CA-O 3.26Å; P188-Y325 WeakPolarHBondContact CA-O 3.49Å; L189-Y325 PolarHBondContact N-O 3.05Å; L189-Y325 PolarHBondContact O-N 3.19Å; D288-Y325 HydrophobicContact CB-CD2 4.43Å; D288-Y325 HydrophobicContact CB-CE2 4.04Å; D288-Y325 CarbonylContact O-C 3.55Å; D288-Y325 VanDerWaalsContact O-CA 3.23Å; D288-Y325 WeakPolarHBondContact O-CA 2.97Å; D288-Y325 WeakPolarHBondContact O-CD2 3.44Å; Y325-T350 HydrophobicContact CD2-CG2 3.5Å; Y325-T350 HydrophobicContact CE2-CG2 3.41Å; Y325-T350 VanDerWaalsContact CE2-CG2 3.41Å |
| 326 | A | 88.6 | Confident | 87.7 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | trans | -151 | 143.4 | 166 | 0 | 0 | 0 | 0 | 0 | 111.2 | P188 D288 L301 T328 W331 V333 | P188-A326 HydrophobicContact CB-CB 3.99Å; D288-A326 VanDerWaalsContact CA-O 3.27Å; D288-A326 WeakPolarHBondContact CA-O 3.07Å; D288-A326 PolarHBondContact O-N 3.29Å; L301-A326 HydrophobicContact CD2-CB 3.98Å; A326-T328 PolarHBondContact O-N 2.03Å; A326-W331 HydrophobicContact CB-CB 4.26Å; A326-V333 HydrophobicContact CB-CG2 3.63Å | ||
| 327 | S | 85.6 | Confident | 87.5 | Confident | 15 Ų | 15 | 31.4 Ų | 31.4 | 11% | 0.105 | 17% | 0.173 | C | C | . | . | trans | -73.7 | 117.4 | 178.4 | -168.1 | 0 | 0 | 0 | 0 | 111.2 | R185 T329 H330 W331 | R185-S327 WeakPolarHBondContact O-CB 3.41Å; S327-T329 PolarHBondContact O-N 3.21Å; S327-T329 VanDerWaalsContact O-N 3.1Å; S327-T329 PolarHBondContact OG-OG1 3.15Å; S327-H330 PolarHBondContact O-N 3.03Å; S327-W331 PolarHBondContact O-N 3.34Å | ||
| 328 | T | 83.6 | Confident | 87.1 | Confident | 82 Ų | 82 | 34 Ų | 34 | 50% | 0.503 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.4 | 177.2 | 52.3 | 0 | 0 | 0 | 0 | 114 | R287 D288 A326 H330 W331 | R287-T328 WeakPolarHBondContact O-CG2 3.24Å; D288-T328 HydrophobicContact CB-CG2 4.41Å; A326-T328 PolarHBondContact O-N 2.03Å; T328-H330 VanDerWaalsContact C-N 3.29Å; T328-H330 PolarHBondContact O-N 3.35Å; T328-W331 VanDerWaalsContact CA-O 3.31Å; T328-W331 WeakPolarHBondContact CA-O 3.03Å |
| 329 | T | 81.8 | Confident | 86.2 | Confident | 90 Ų | 90 | 36.4 Ų | 36.4 | 55% | 0.552 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -27 | 176.7 | 55.4 | 0 | 0 | 0 | 0 | 113.2 | S327 | S327-T329 PolarHBondContact O-N 3.21Å; S327-T329 VanDerWaalsContact O-N 3.1Å; S327-T329 PolarHBondContact OG-OG1 3.15Å |
| 330 | H | 82.1 | Confident | 85.4 | Confident | 23 Ų | 23 | 38 Ų | 38 | 11% | 0.106 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -20.2 | -173.9 | -57.7 | 107.6 | 0 | 0 | 0 | 112.8 | N162 L186 P304 S327 T328 | N162-H330 PolarHBondContact O-CD2 2.69Å; L186-H330 WeakPolarHBondContact CD2-CE1 3.45Å; P304-H330 WeakPolarHBondContact CD-O 3.34Å; S327-H330 PolarHBondContact O-N 3.03Å; T328-H330 VanDerWaalsContact C-N 3.29Å; T328-H330 PolarHBondContact O-N 3.35Å |
| 331 | W | 86.1 | Confident | 84.7 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | trans | -139.2 | 138 | -174.9 | -64.4 | 99.1 | 0 | 0 | 0 | 110.5 | C166 P188 L301 P303 A326 S327 T328 | C166-W331 HydrophobicContact CB-CD2 4.37Å; C166-W331 HydrophobicContact CB-CH2 3.93Å; C166-W331 HydrophobicContact CB-CZ2 3.33Å; P188-W331 HydrophobicContact CG-CZ2 4.26Å; L301-W331 HydrophobicContact CB-CD2 4.38Å; L301-W331 HydrophobicContact CB-CE3 3.66Å; L301-W331 HydrophobicContact CB-CZ3 4.01Å; P303-W331 HydrophobicContact CB-CE3 4.39Å; P303-W331 HydrophobicContact CB-CZ3 4.26Å; P303-W331 HydrophobicContact CG-CZ3 4.35Å; A326-W331 HydrophobicContact CB-CB 4.26Å; S327-W331 PolarHBondContact O-N 3.34Å; T328-W331 VanDerWaalsContact CA-O 3.31Å; T328-W331 WeakPolarHBondContact CA-O 3.03Å | ||
| 332 | K | 89.1 | Confident | 84.3 | Confident | 99 Ų | 99 | 44.5 Ų | 44.5 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 126.3 | 162.2 | -61 | -166 | 176 | -163 | 0 | 108.9 | L301 I302 Y334 | L301-K332 WeakPolarHBondContact CA-O 3.26Å; I302-K332 HydrophobicContact CB-CB 4.49Å; I302-K332 PolarHBondContact N-O 3.41Å; I302-K332 PolarHBondContact O-N 3.5Å; K332-Y334 HydrophobicContact CB-CD2 4.28Å; K332-Y334 HydrophobicContact CB-CE2 3.56Å; K332-Y334 HydrophobicContact CD-CE2 4.23Å; K332-Y334 WeakPolarHBondContact CD-OH 3.37Å |
| 333 | V | 90.8 | Very high | 84 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 113.4 | -175.5 | -171.7 | 0 | 0 | 0 | 0 | 108.7 | E285 M286 F290 L299 L301 A326 | E285-V333 WeakPolarHBondContact CA-O 3.2Å; M286-V333 HydrophobicContact CB-CB 4.06Å; M286-V333 HydrophobicContact CB-CG1 3.91Å; M286-V333 HydrophobicContact CG-CG1 4.32Å; M286-V333 PolarHBondContact N-O 3.09Å; F290-V333 HydrophobicContact CD1-CG1 3.82Å; F290-V333 HydrophobicContact CE1-CG1 3.67Å; F290-V333 HydrophobicContact CZ-CG1 4.48Å; L299-V333 HydrophobicContact CD1-CG1 3.7Å; L301-V333 HydrophobicContact CD2-CB 4.22Å; L301-V333 HydrophobicContact CD2-CG1 4.03Å; L301-V333 HydrophobicContact CD2-CG2 3.84Å; A326-V333 HydrophobicContact CB-CG2 3.63Å |
| 334 | Y | 90.1 | Very high | 83.8 | Confident | 38 Ų | 38 | 44.4 Ų | 44.4 | 15% | 0.149 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 137.7 | 175.9 | -65.4 | -70.8 | 0 | 0 | 0 | 110.5 | M283 H284 E285 Q300 I302 K332 | M283-Y334 HydrophobicContact CB-CD1 4.11Å; H284-Y334 WeakPolarHBondContact O-CA 3.44Å; E285-Y334 HydrophobicContact CB-CD1 4.1Å; E285-Y334 HydrophobicContact CB-CE1 3.77Å; E285-Y334 HydrophobicContact CG-CD1 4.46Å; E285-Y334 HydrophobicContact CG-CE1 3.92Å; E285-Y334 PolarHBondContact OE2-OH 2.78Å; Q300-Y334 PolarHBondContact N-O 3.48Å; Q300-Y334 PolarHBondContact O-N 2.92Å; I302-Y334 HydrophobicContact CD1-CD2 3.73Å; I302-Y334 HydrophobicContact CD1-CE2 3.91Å; I302-Y334 HydrophobicContact CG1-CD2 4.12Å; I302-Y334 HydrophobicContact CG1-CE2 4.42Å; K332-Y334 HydrophobicContact CB-CD2 4.28Å; K332-Y334 HydrophobicContact CB-CE2 3.56Å; K332-Y334 HydrophobicContact CD-CE2 4.23Å; K332-Y334 WeakPolarHBondContact CD-OH 3.37Å |
| 335 | I | 88.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 130.3 | 175.2 | -67.4 | 174.1 | 0 | 0 | 0 | 109.5 | H284 M286 F290 A297 M298 L299 I318 L343 I345 | H284-I335 PolarHBondContact N-O 3.36Å; H284-I335 PolarHBondContact O-N 2.94Å; M286-I335 HydrophobicContact CE-CB 4.33Å; M286-I335 HydrophobicContact CE-CD1 4.41Å; M286-I335 HydrophobicContact CG-CD1 3.71Å; M286-I335 HydrophobicContact CG-CG1 4.23Å; M286-I335 HydrophobicContact SD-CD1 4.43Å; F290-I335 HydrophobicContact CB-CD1 4.14Å; F290-I335 HydrophobicContact CD1-CD1 4.45Å; F290-I335 HydrophobicContact CD2-CD1 3.53Å; F290-I335 HydrophobicContact CE2-CD1 3.97Å; F290-I335 HydrophobicContact CG-CD1 3.79Å; A297-I335 HydrophobicContact CB-CG2 3.69Å; M298-I335 WeakPolarHBondContact O-CA 3.38Å; L299-I335 HydrophobicContact CD1-CD1 4.36Å; L299-I335 HydrophobicContact CD1-CG1 4.01Å; I318-I335 HydrophobicContact CD1-CD1 3.99Å; I318-I335 HydrophobicContact CD1-CG1 4.14Å; I318-I335 HydrophobicContact CD1-CG2 4.05Å; I335-L343 HydrophobicContact CG2-CD2 4.35Å; I335-I345 HydrophobicContact CB-CD1 4.05Å; I335-I345 HydrophobicContact CD1-CD1 3.07Å; I335-I345 HydrophobicContact CG1-CD1 4.1Å; I335-I345 HydrophobicContact CG2-CD1 3.81Å |
| 336 | I | 87.1 | Confident | 83.7 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 12% | 0.118 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 110.4 | -171.9 | -53.9 | -178.8 | 0 | 0 | 0 | 107.1 | S281 M283 A297 M298 R338 | S281-I336 VanDerWaalsContact CB-CG2 3.43Å; S281-I336 WeakPolarHBondContact OG-CG2 3.31Å; M283-I336 HydrophobicContact CE-CD1 3.87Å; M283-I336 HydrophobicContact CG-CD1 4.17Å; M283-I336 HydrophobicContact CG-CG1 4.04Å; M283-I336 HydrophobicContact SD-CD1 4.42Å; A297-I336 CarbonylContact C-O 3.54Å; A297-I336 VanDerWaalsContact CA-O 3.24Å; A297-I336 WeakPolarHBondContact CA-O 3.26Å; A297-I336 VanDerWaalsContact CB-O 3.28Å; A297-I336 WeakPolarHBondContact CB-O 3.31Å; M298-I336 HydrophobicContact CB-CB 4.29Å; M298-I336 PolarHBondContact N-O 3.28Å; M298-I336 PolarHBondContact O-N 2.86Å; I336-R338 PolarHBondContact O-N 2.04Å |
| 337 | A | 85.3 | Confident | 83.8 | Confident | 15 Ų | 15 | 44 Ų | 44 | 12% | 0.124 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 137.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P275 L343 | P275-A337 HydrophobicContact CB-CB 4.3Å; A337-L343 HydrophobicContact CB-CB 4.22Å; A337-L343 HydrophobicContact CB-CD2 3.72Å |
| 338 | R | 79.8 | Confident | 83.8 | Confident | 139 Ų | 139 | 43.3 Ų | 43.3 | 53% | 0.525 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 151 | 175.3 | -80.7 | -160.3 | 166.2 | 180 | 0.2 | 110.6 | E296 M298 I336 | E296-R338 HydrophobicContact CB-CB 4.45Å; E296-R338 PolarHBondContact O-N 3.06Å; M298-R338 VanDerWaalsContact CG-CD 3.49Å; M298-R338 HydrophobicContact CG-CG 4.03Å; M298-R338 VanDerWaalsContact SD-CZ 3.55Å; M298-R338 PolarHBondContact SD-NH1 2.87Å; I336-R338 PolarHBondContact O-N 2.04Å |
| 339 | G | 72.8 | Confident | 83.9 | Confident | 53 Ų | 53 | 40 Ų | 40 | 55% | 0.546 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 87.6 | -164 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P275 | P275-G339 VanDerWaalsContact CB-O 3.29Å; P275-G339 WeakPolarHBondContact CB-O 3.46Å; P275-G339 WeakPolarHBondContact CG-O 3.31Å |
| 340 | V | 70.9 | Confident | 83.8 | Confident | 145 Ų | 145 | 35.9 Ų | 35.9 | 88% | 0.879 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -107 | -17.3 | -174.4 | -168.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 341 | Q | 73.7 | Confident | 83.1 | Confident | 128 Ų | 128 | 40.3 Ų | 40.3 | 60% | 0.598 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -78.7 | 147.1 | -179.3 | -69.8 | -179 | -8.9 | 0 | 0 | 111.2 | P275 L343 | P275-Q341 VanDerWaalsContact CD-O 3.32Å; P275-Q341 WeakPolarHBondContact CD-O 3.28Å; P275-Q341 WeakPolarHBondContact CG-O 3.46Å; Q341-L343 PolarHBondContact O-N 3.14Å |
| 342 | P | 76.9 | Confident | 81.6 | Confident | 49 Ų | 49 | 42.6 Ų | 42.6 | 32% | 0.318 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -63.7 | 129.8 | 172.9 | 27.7 | -33.5 | 0 | 0 | 0 | 110 | L272 | L272-P342 HydrophobicContact CD1-CB 4.04Š|
| 343 | L | 83 | Confident | 79.6 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 128.4 | 178.1 | -178.6 | 74 | 0 | 0 | 0 | 109.5 | L272 L273 M292 S294 A297 I335 A337 Q341 | L272-L343 CarbonylContact C-O 3.18Å; L272-L343 WeakPolarHBondContact CA-O 3.45Å; L273-L343 HydrophobicContact CB-CB 4.21Å; L273-L343 HydrophobicContact CD1-CD2 4.1Å; L273-L343 PolarHBondContact N-O 3.34Å; L273-L343 PolarHBondContact O-N 2.95Å; M292-L343 HydrophobicContact CE-CD1 3.34Å; M292-L343 HydrophobicContact CE-CD2 4.44Å; M292-L343 HydrophobicContact CE-CG 4.3Å; S294-L343 CarbonylContact O-C 3.52Å; S294-L343 WeakPolarHBondContact O-CA 3.44Å; S294-L343 WeakPolarHBondContact O-CD1 3.31Å; A297-L343 HydrophobicContact CB-CD1 4.12Å; A297-L343 HydrophobicContact CB-CD2 3.85Å; I335-L343 HydrophobicContact CG2-CD2 4.35Å; A337-L343 HydrophobicContact CB-CB 4.22Å; A337-L343 HydrophobicContact CB-CD2 3.72Å; Q341-L343 PolarHBondContact O-N 3.14Å |
| 344 | V | 85.6 | Confident | 76.9 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122.6 | 168.3 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | I202 L206 F271 L272 G293 S294 | I202-V344 HydrophobicContact CG2-CB 4.27Å; I202-V344 HydrophobicContact CG2-CG1 3.65Å; I202-V344 HydrophobicContact CG2-CG2 4.28Å; L206-V344 HydrophobicContact CD1-CG1 4.31Å; F271-V344 WeakPolarHBondContact O-CA 3.32Å; L272-V344 HydrophobicContact CD1-CG2 3.54Å; G293-V344 WeakPolarHBondContact CA-O 3.48Å; G293-V344 PolarHBondContact N-O 3.32Å; S294-V344 PolarHBondContact N-O 2.98Å; S294-V344 PolarHBondContact O-N 3.37Å |
| 345 | I | 88.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.2 | 176.8 | -178.8 | 156.9 | 0 | 0 | 0 | 111.4 | C270 F271 L273 M286 F290 M292 I335 | C270-I345 CarbonylContact C-O 3.57Å; C270-I345 WeakPolarHBondContact CA-O 3.27Å; F271-I345 HydrophobicContact CB-CG2 3.86Å; F271-I345 HydrophobicContact CD2-CG2 4.36Å; F271-I345 PolarHBondContact N-O 2.88Å; F271-I345 PolarHBondContact O-N 3.28Å; L273-I345 HydrophobicContact CD1-CG2 3.89Å; L273-I345 HydrophobicContact CG-CG2 4.42Å; M286-I345 HydrophobicContact CE-CD1 3.53Å; M286-I345 HydrophobicContact CE-CG1 3.99Å; M286-I345 HydrophobicContact CE-CG2 3.97Å; M286-I345 HydrophobicContact CG-CD1 4.42Å; M286-I345 HydrophobicContact SD-CD1 3.79Å; M286-I345 HydrophobicContact SD-CG1 4.09Å; F290-I345 HydrophobicContact CB-CD1 4.38Å; M292-I345 HydrophobicContact SD-CD1 3.77Å; M292-I345 HydrophobicContact SD-CG1 4.3Å; I335-I345 HydrophobicContact CB-CD1 4.05Å; I335-I345 HydrophobicContact CD1-CD1 3.07Å; I335-I345 HydrophobicContact CG1-CD1 4.1Å; I335-I345 HydrophobicContact CG2-CD1 3.81Å |
| 346 | C | 87.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 120.3 | 178.4 | -70.8 | 0 | 0 | 0 | 0 | 110.7 | F253 L267 K269 C270 F290 I291 | F253-C346 HydrophobicContact CE2-CB 3.88Å; F253-C346 HydrophobicContact CZ-CB 4.15Å; L267-C346 HydrophobicContact CD1-CB 3.67Å; K269-C346 CarbonylContact O-C 3.4Å; C270-C346 HydrophobicContact CB-CB 4.17Å; C270-C346 WeakPolarHBondContact CB-SG 3.06Å; C270-C346 WeakPolarHBondContact SG-CB 3.26Å; C270-C346 CovalentContact SG-SG 2.05Å; C270-C346 PolarHBondContact SG-SG 3.4Å; F290-C346 CarbonylContact C-O 3.53Å; F290-C346 WeakPolarHBondContact CA-O 3.37Å; I291-C346 HydrophobicContact CB-CB 4.41Å; I291-C346 HydrophobicContact CD1-CB 4.4Å; I291-C346 PolarHBondContact N-O 2.61Å; I291-C346 PolarHBondContact O-N 3.37Å |
| 347 | D | 89.5 | Confident | 75 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 4% | 0.043 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 134.5 | 170.7 | 180 | 51.7 | 0 | 0 | 0 | 109.7 | N268 K269 F271 M286 R287 | N268-D347 WeakPolarHBondContact CA-O 3.06Å; N268-D347 WeakPolarHBondContact CB-O 3.43Å; N268-D347 PolarHBondContact N-O 3.09Å; N268-D347 PolarHBondContact ND2-OD2 3.37Å; K269-D347 PolarHBondContact N-O 3.46Å; K269-D347 VanDerWaalsContact N-O 3.09Å; K269-D347 WeakPolarHBondContact O-CA 3.04Å; K269-D347 PolarHBondContact O-N 2.86Å; F271-D347 HydrophobicContact CE2-CB 3.78Å; M286-D347 HydrophobicContact SD-CB 4.14Å; R287-D347 WeakPolarHBondContact CB-OD1 3.34Å; R287-D347 WeakPolarHBondContact CD-OD2 3.4Å; R287-D347 WeakPolarHBondContact CG-OD2 3.05Å; R287-D347 PolarHBondContact N-OD1 3.03Å; R287-D347 IonicContact NE-OD2 2.6Å |
| 348 | G | 87.3 | Confident | 74.4 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 171.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S266 L289 | S266-G348 CarbonylContact O-C 3.59Å; S266-G348 WeakPolarHBondContact O-CA 3.2Å; L289-G348 PolarHBondContact N-O 2.75Å; L289-G348 PolarHBondContact O-N 3.09Å; L289-G348 VanDerWaalsContact O-O 3.12Å |
| 349 | T | 85.1 | Confident | 74 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 8% | 0.08 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 142.7 | 174.5 | 58.1 | 0 | 0 | 0 | 0 | 110.7 | A265 S266 D288 F351 | A265-T349 CarbonylContact C-O 3.56Å; A265-T349 VanDerWaalsContact CA-O 3.29Å; A265-T349 WeakPolarHBondContact CA-O 3.49Å; S266-T349 PolarHBondContact N-O 3.27Å; S266-T349 PolarHBondContact O-N 2.6Å; S266-T349 PolarHBondContact OG-OG1 3.31Å; D288-T349 VanDerWaalsContact OD1-CA 3.26Å; D288-T349 WeakPolarHBondContact OD1-CA 3.04Å; T349-F351 WeakPolarHBondContact CB-O 3.5Å; T349-F351 PolarHBondContact OG1-O 3.48Å |
| 350 | T | 78.8 | Confident | 74.1 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -82.3 | -3.4 | 171.9 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | F261 P262 D288 L289 Y325 | F261-T350 HydrophobicContact CE1-CG2 4.24Å; F261-T350 HydrophobicContact CZ-CG2 3.96Å; P262-T350 HydrophobicContact CB-CG2 4Å; P262-T350 HydrophobicContact CG-CG2 3.71Å; D288-T350 VanDerWaalsContact OD2-CB 3.31Å; D288-T350 WeakPolarHBondContact OD2-CB 3.39Å; D288-T350 WeakPolarHBondContact OD2-CG2 3.42Å; D288-T350 PolarHBondContact OD2-N 2.89Å; D288-T350 PolarHBondContact OD2-OG1 3.48Å; L289-T350 HydrophobicContact CB-CG2 4.14Å; Y325-T350 HydrophobicContact CD2-CG2 3.5Å; Y325-T350 HydrophobicContact CE2-CG2 3.41Å; Y325-T350 VanDerWaalsContact CE2-CG2 3.41Å |
| 351 | F | 68.7 | Low | 74.3 | Confident | 117 Ų | 117 | 52.4 Ų | 52.4 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -109 | 125 | 170.1 | -60.2 | -84.6 | 0 | 0 | 0 | 108.9 | D264 S266 T349 E353 | D264-F351 CarbonylContact O-C 3.53Å; S266-F351 PolarHBondContact OG-O 3.36Å; T349-F351 WeakPolarHBondContact CB-O 3.5Å; T349-F351 PolarHBondContact OG1-O 3.48Å; F351-E353 PolarHBondContact O-N 3.37Å |
| 352 | S | 53.3 | Low | 74.4 | Confident | 56 Ų | 56 | 46.5 Ų | 46.5 | 39% | 0.392 | 25% | 0.245 | S | C | . | . | trans | -67.7 | 119.6 | 168 | -173.4 | 0 | 0 | 0 | 0 | 108.3 | D264 L354 | D264-S352 PolarHBondContact O-N 2.93Å; S352-L354 PolarHBondContact O-N 3.08Å | ||
| 353 | E | 47.5 | Very low | 74.2 | Confident | 116 Ų | 116 | 46.3 Ų | 46.3 | 54% | 0.542 | 24% | 0.239 | S | C | . | . | trans | -62.5 | 117.5 | 160.4 | -69.2 | 179.2 | 176.1 | 0 | 0 | 106.5 | R245 R287 F351 | R245-E353 IonicContact NH1-OE2 3.81Å; R245-E353 PolarHBondContact NH1-OE2 3.34Å; R287-E353 IonicContact NH1-OE1 2.78Å; F351-E353 PolarHBondContact O-N 3.37Å | ||
| 354 | L | 35.1 | Very low | 73.4 | Confident | 235 Ų | 235 | 50.5 Ų | 50.5 | 100% | 1.23 | 26% | 0.26 | S | S | * | . | trans | -97.5 | 0 | 179.3 | -120 | 158.1 | 0 | 0 | 0 | 109.6 | S352 | S352-L354 PolarHBondContact O-N 3.08Š|
Retrieved 354 of 354 residues in 111.6 ms
(Link to these results)