| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.9 | Very low | 40.7 | Very low | 245 Ų | 245 | 176.1 Ų | 176.1 | 100% | 1.207 | 86% | 0.858 | S | S | * | * | 0 | 99.4 | 0 | -71.4 | 179.8 | -147.3 | 0 | 0 | 107.5 | |||||
| 2 | S | 36.4 | Very low | 41.1 | Very low | 122 Ų | 122 | 175.2 Ų | 175.2 | 85% | 0.853 | 86% | 0.859 | S | S | * | * | trans | -135.2 | 114.4 | 168 | -83.7 | 0 | 0 | 0 | 0 | 107.8 | M4 | S2-M4 PolarHBondContact O-N 2.87Š| ||
| 3 | T | 44.5 | Very low | 42.1 | Very low | 122 Ų | 122 | 175.6 Ų | 175.6 | 75% | 0.748 | 86% | 0.858 | S | S | * | * | trans | -67.9 | 106.4 | 178.3 | -41.6 | 0 | 0 | 0 | 0 | 108.8 | M5 | T3-M5 HydrophobicContact CG2-CE 4.02Å; T3-M5 HydrophobicContact CG2-CG 4.49Å; T3-M5 PolarHBondContact O-N 3.48Å | ||
| 4 | M | 37.9 | Very low | 43.6 | Very low | 169 Ų | 169 | 177.8 Ų | 177.8 | 83% | 0.833 | 86% | 0.861 | S | S | * | * | trans | -89.3 | 93.6 | 170.8 | -142.2 | 177.1 | -160.7 | 0 | 0 | 107.7 | S2 Y6 | S2-M4 PolarHBondContact O-N 2.87Å; M4-Y6 PolarHBondContact O-N 3.41Å | ||
| 5 | M | 39.7 | Very low | 45.2 | Very low | 160 Ų | 160 | 172.5 Ų | 172.5 | 79% | 0.788 | 84% | 0.837 | S | S | * | * | trans | -65.2 | 113.6 | 168.4 | -76.7 | -77.4 | 164.4 | 0 | 0 | 108.3 | T3 | T3-M5 HydrophobicContact CG2-CE 4.02Å; T3-M5 HydrophobicContact CG2-CG 4.49Å; T3-M5 PolarHBondContact O-N 3.48Å | ||
| 6 | Y | 37.8 | Very low | 47.5 | Very low | 207 Ų | 207 | 164.8 Ų | 164.8 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -67.6 | 139.3 | 166.4 | -84.5 | -95.2 | 0 | 0 | 0 | 109.2 | M4 R8 | M4-Y6 PolarHBondContact O-N 3.41Å; Y6-R8 PolarHBondContact O-N 3.45Å | ||
| 7 | P | 44.6 | Very low | 49.1 | Very low | 118 Ų | 118 | 160.3 Ų | 160.3 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | -63 | 128.4 | 172.5 | -10.5 | 25.2 | 0 | 0 | 0 | 108.5 | E9 | P7-E9 PolarHBondContact O-N 3.37Š| ||
| 8 | R | 38.5 | Very low | 50.9 | Low | 235 Ų | 235 | 160.4 Ų | 160.4 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | -63.4 | 103 | 174 | -157.9 | 179.9 | -158.6 | 178.5 | 3.1 | 107.5 | Y6 E10 | Y6-R8 PolarHBondContact O-N 3.45Å; R8-E10 VanDerWaalsContact C-N 3.34Å; R8-E10 PolarHBondContact O-N 3.36Å | ||
| 9 | E | 40.5 | Very low | 52.8 | Low | 187 Ų | 187 | 157.1 Ų | 157.1 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | -61.1 | 101.7 | 162.5 | -79.5 | -180 | 161.1 | 0 | 0 | 107 | P7 K11 | P7-E9 PolarHBondContact O-N 3.37Å; E9-K11 PolarHBondContact O-N 3.35Å | ||
| 10 | E | 41.4 | Very low | 54.4 | Low | 177 Ų | 177 | 152.8 Ų | 152.8 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | trans | -57.4 | 109.1 | 164.4 | -82.8 | 178.3 | 158.7 | 0 | 0 | 107.1 | R8 L12 | R8-E10 VanDerWaalsContact C-N 3.34Å; R8-E10 PolarHBondContact O-N 3.36Å; E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 3.3Å | ||
| 11 | K | 42.3 | Very low | 56 | Low | 195 Ų | 195 | 147.1 Ų | 147.1 | 85% | 0.848 | 72% | 0.718 | S | S | * | * | trans | -55.1 | 102.9 | 163.4 | -78.8 | 176.9 | 175.2 | 177 | 0 | 106.5 | E9 E13 | E9-K11 PolarHBondContact O-N 3.35Å; K11-E13 VanDerWaalsContact C-N 3.26Å; K11-E13 PolarHBondContact O-N 3.12Å | ||
| 12 | L | 45.4 | Very low | 58.2 | Low | 165 Ų | 165 | 138.4 Ų | 138.4 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | trans | -52.6 | 100.2 | 157.2 | -91.7 | 143.4 | 0 | 0 | 0 | 106.1 | E10 K14 | E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 3.3Å; L12-K14 PolarHBondContact O-N 3.42Å | ||
| 13 | E | 54.6 | Low | 60.8 | Low | 181 Ų | 181 | 136.1 Ų | 136.1 | 85% | 0.846 | 66% | 0.659 | S | S | * | * | trans | -55.9 | 111.8 | 173.1 | -74.6 | -179.2 | 158.9 | 0 | 0 | 106.5 | K11 L15 | K11-E13 VanDerWaalsContact C-N 3.26Å; K11-E13 PolarHBondContact O-N 3.12Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 2.62Å | ||
| 14 | K | 62.2 | Low | 63 | Low | 206 Ų | 206 | 131 Ų | 131 | 90% | 0.896 | 63% | 0.628 | S | S | * | * | trans | -64.6 | 101.1 | 176.4 | -72.7 | -177.8 | 178.3 | -179.2 | 0 | 106.5 | L12 S16 | L12-K14 PolarHBondContact O-N 3.42Å; K14-S16 PolarHBondContact O-N 3.28Å | ||
| 15 | L | 68.8 | Low | 65.5 | Low | 98 Ų | 98 | 128.1 Ų | 128.1 | 51% | 0.513 | 61% | 0.611 | S | S | . | * | trans | -46.3 | 127.7 | 172.5 | -79.8 | 152.6 | 0 | 0 | 0 | 109 | E13 E19 I20 | E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 2.62Å; L15-E19 HydrophobicContact CD2-CB 3.89Å; L15-I20 HydrophobicContact CB-CD1 4.25Å; L15-I20 HydrophobicContact CB-CG1 3.75Å | ||
| 16 | S | 80.9 | Confident | 68.1 | Low | 50 Ų | 50 | 125.3 Ų | 125.3 | 35% | 0.35 | 60% | 0.598 | S | S | . | * | trans | -63.7 | 154 | 175.6 | 66.3 | 0 | 0 | 0 | 0 | 110 | K14 E18 E19 I20 | K14-S16 PolarHBondContact O-N 3.28Å; S16-E18 PolarHBondContact O-N 3.38Å; S16-E19 WeakPolarHBondContact CB-OE2 3.28Å; S16-E19 PolarHBondContact N-OE2 3.46Å; S16-E19 PolarHBondContact O-N 3.04Å; S16-E19 WeakPolarHBondContact OG-CB 3.43Å; S16-E19 WeakPolarHBondContact OG-CG 3.35Å; S16-E19 PolarHBondContact OG-N 3.42Å; S16-E19 PolarHBondContact OG-OE2 2.84Å; S16-I20 WeakPolarHBondContact O-CG1 3.21Å; S16-I20 PolarHBondContact O-N 3.01Å | ||
| 17 | Q | 75.4 | Confident | 70.7 | Confident | 88 Ų | 88 | 119.2 Ų | 119.2 | 41% | 0.411 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -56.4 | -34.8 | 179 | -174.1 | -178.9 | -16.5 | 0 | 0 | 111.8 | I20 I21 | Q17-I20 PolarHBondContact O-N 2.73Å; Q17-I21 HydrophobicContact CG-CD1 4.16Å; Q17-I21 VanDerWaalsContact O-CD1 3.3Å; Q17-I21 WeakPolarHBondContact O-CD1 3.47Å; Q17-I21 WeakPolarHBondContact O-CG1 3.48Å; Q17-I21 PolarHBondContact O-N 3.2Å |
| 18 | E | 81.7 | Confident | 73 | Confident | 162 Ų | 162 | 114.6 Ų | 114.6 | 76% | 0.757 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.1 | -40.9 | 176.6 | -66.1 | -174.7 | 168.2 | 0 | 0 | 112.5 | S16 I21 S22 | S16-E18 PolarHBondContact O-N 3.38Å; E18-I21 PolarHBondContact O-N 2.9Å; E18-S22 WeakPolarHBondContact O-CB 3.43Å; E18-S22 PolarHBondContact O-N 3.48Å |
| 19 | E | 86.6 | Confident | 75.6 | Confident | 98 Ų | 98 | 109.2 Ų | 109.2 | 46% | 0.458 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 174.3 | -73.4 | 161.2 | 162.6 | 0 | 0 | 111.6 | L15 S16 S22 N23 | L15-E19 HydrophobicContact CD2-CB 3.89Å; S16-E19 WeakPolarHBondContact CB-OE2 3.28Å; S16-E19 PolarHBondContact N-OE2 3.46Å; S16-E19 PolarHBondContact O-N 3.04Å; S16-E19 WeakPolarHBondContact OG-CB 3.43Å; S16-E19 WeakPolarHBondContact OG-CG 3.35Å; S16-E19 PolarHBondContact OG-N 3.42Å; S16-E19 PolarHBondContact OG-OE2 2.84Å; E19-S22 PolarHBondContact O-N 2.92Å; E19-N23 VanDerWaalsContact O-CB 3.25Å; E19-N23 WeakPolarHBondContact O-CB 3.5Å; E19-N23 PolarHBondContact O-N 3.49Å; E19-N23 PolarHBondContact O-ND2 3.48Å |
| 20 | I | 85.8 | Confident | 78.2 | Confident | 71 Ų | 71 | 102.4 Ų | 102.4 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.2 | -48.6 | 174.7 | -65.2 | 170.1 | 0 | 0 | 0 | 109.8 | L15 S16 Q17 S22 N23 T24 M85 | L15-I20 HydrophobicContact CB-CD1 4.25Å; L15-I20 HydrophobicContact CB-CG1 3.75Å; S16-I20 WeakPolarHBondContact O-CG1 3.21Å; S16-I20 PolarHBondContact O-N 3.01Å; Q17-I20 PolarHBondContact O-N 2.73Å; I20-S22 PolarHBondContact O-N 3.48Å; I20-N23 PolarHBondContact O-N 3.1Å; I20-T24 WeakPolarHBondContact O-CB 3.49Å; I20-T24 PolarHBondContact O-N 3.16Å; I20-T24 PolarHBondContact O-OG1 3.39Å; I20-M85 HydrophobicContact CG2-CE 4.22Å |
| 21 | I | 87.4 | Confident | 80.6 | Confident | 33 Ų | 33 | 95.9 Ų | 95.9 | 17% | 0.169 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 178.8 | -66.9 | 160.7 | 0 | 0 | 0 | 111.2 | Q17 E18 T24 K25 M86 S89 | Q17-I21 HydrophobicContact CG-CD1 4.16Å; Q17-I21 VanDerWaalsContact O-CD1 3.3Å; Q17-I21 WeakPolarHBondContact O-CD1 3.47Å; Q17-I21 WeakPolarHBondContact O-CG1 3.48Å; Q17-I21 PolarHBondContact O-N 3.2Å; E18-I21 PolarHBondContact O-N 2.9Å; I21-T24 PolarHBondContact O-N 3.25Å; I21-K25 WeakPolarHBondContact O-CG 3.45Å; I21-K25 PolarHBondContact O-N 3.24Å; I21-M86 HydrophobicContact CG2-CE 3.95Å; I21-M86 HydrophobicContact CG2-SD 3.84Å; I21-S89 WeakPolarHBondContact CD1-OG 3.38Å |
| 22 | S | 89.8 | Confident | 83 | Confident | 63 Ų | 63 | 90.9 Ų | 90.9 | 44% | 0.441 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 177.7 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | E18 E19 I20 K25 L26 | E18-S22 WeakPolarHBondContact O-CB 3.43Å; E18-S22 PolarHBondContact O-N 3.48Å; E19-S22 PolarHBondContact O-N 2.92Å; I20-S22 PolarHBondContact O-N 3.48Å; S22-K25 PolarHBondContact O-N 3.03Å; S22-L26 WeakPolarHBondContact O-CG 3.35Å; S22-L26 PolarHBondContact O-N 2.71Å |
| 23 | N | 90.6 | Very high | 85.3 | Confident | 73 Ų | 73 | 85.4 Ų | 85.4 | 39% | 0.39 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 177 | -69.1 | -15.4 | 0 | 0 | 0 | 111.5 | E19 I20 K25 L26 V27 | E19-N23 VanDerWaalsContact O-CB 3.25Å; E19-N23 WeakPolarHBondContact O-CB 3.5Å; E19-N23 PolarHBondContact O-N 3.49Å; E19-N23 PolarHBondContact O-ND2 3.48Å; I20-N23 PolarHBondContact O-N 3.1Å; N23-K25 VanDerWaalsContact C-N 3.32Å; N23-K25 PolarHBondContact O-N 3.17Å; N23-L26 PolarHBondContact O-N 3.02Å; N23-V27 VanDerWaalsContact O-CG2 3.31Å; N23-V27 WeakPolarHBondContact O-CG2 3.43Å; N23-V27 PolarHBondContact O-N 3.07Å |
| 24 | T | 90.8 | Very high | 87.2 | Confident | 15 Ų | 15 | 80 Ų | 80 | 9% | 0.092 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 175.3 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | I20 I21 V27 I28 A82 M85 M86 | I20-T24 WeakPolarHBondContact O-CB 3.49Å; I20-T24 PolarHBondContact O-N 3.16Å; I20-T24 PolarHBondContact O-OG1 3.39Å; I21-T24 PolarHBondContact O-N 3.25Å; T24-V27 PolarHBondContact O-N 3.46Å; T24-I28 HydrophobicContact CG2-CD1 4.17Å; T24-I28 VanDerWaalsContact O-CG1 3.27Å; T24-I28 WeakPolarHBondContact O-CG1 3.41Å; T24-I28 PolarHBondContact O-N 3.24Å; T24-A82 HydrophobicContact CG2-CB 3.88Å; T24-M85 HydrophobicContact CG2-CB 4.31Å; T24-M86 HydrophobicContact CG2-CG 4Å; T24-M86 HydrophobicContact CG2-SD 4.28Å |
| 25 | K | 91.4 | Very high | 88.7 | Confident | 109 Ų | 109 | 72.7 Ų | 72.7 | 47% | 0.474 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 174 | -74.3 | 176.3 | -176.7 | 177.2 | 0 | 112.6 | I21 S22 N23 V27 I28 Q29 M86 | I21-K25 WeakPolarHBondContact O-CG 3.45Å; I21-K25 PolarHBondContact O-N 3.24Å; S22-K25 PolarHBondContact O-N 3.03Å; N23-K25 VanDerWaalsContact C-N 3.32Å; N23-K25 PolarHBondContact O-N 3.17Å; K25-V27 VanDerWaalsContact C-N 3.34Å; K25-I28 PolarHBondContact O-N 2.72Å; K25-Q29 WeakPolarHBondContact O-CG 3.01Å; K25-Q29 PolarHBondContact O-N 2.68Å; K25-M86 HydrophobicContact CD-CE 4.39Å; K25-M86 VanDerWaalsContact CE-CE 3.46Å; K25-M86 HydrophobicContact CG-CE 4.03Å; K25-M86 HydrophobicContact CG-SD 4.01Å |
| 26 | L | 93.2 | Very high | 89.8 | Confident | 101 Ų | 101 | 73.1 Ų | 73.1 | 53% | 0.529 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.3 | -70.9 | 171.9 | 0 | 0 | 0 | 111.5 | S22 N23 Q29 G30 | S22-L26 WeakPolarHBondContact O-CG 3.35Å; S22-L26 PolarHBondContact O-N 2.71Å; N23-L26 PolarHBondContact O-N 3.02Å; L26-Q29 PolarHBondContact O-N 3.09Å; L26-G30 PolarHBondContact O-N 2.95Å |
| 27 | V | 93.4 | Very high | 90.4 | Very high | 79 Ų | 79 | 76.4 Ų | 76.4 | 48% | 0.479 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 174.9 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | N23 T24 K25 G30 L31 | N23-V27 VanDerWaalsContact O-CG2 3.31Å; N23-V27 WeakPolarHBondContact O-CG2 3.43Å; N23-V27 PolarHBondContact O-N 3.07Å; T24-V27 PolarHBondContact O-N 3.46Å; K25-V27 VanDerWaalsContact C-N 3.34Å; V27-G30 PolarHBondContact O-N 2.68Å; V27-L31 HydrophobicContact CG1-CD1 3.71Å; V27-L31 HydrophobicContact CG1-CG 4.17Å; V27-L31 WeakPolarHBondContact O-CB 3.37Å; V27-L31 VanDerWaalsContact O-CG 3.26Å; V27-L31 WeakPolarHBondContact O-CG 3.49Å; V27-L31 PolarHBondContact O-N 3.28Å |
| 28 | I | 92.6 | Very high | 91.2 | Very high | 20 Ų | 20 | 74 Ų | 74 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 175.4 | -70.2 | 164.8 | 0 | 0 | 0 | 110.7 | T24 K25 G30 L31 E32 L79 A82 M86 | T24-I28 HydrophobicContact CG2-CD1 4.17Å; T24-I28 VanDerWaalsContact O-CG1 3.27Å; T24-I28 WeakPolarHBondContact O-CG1 3.41Å; T24-I28 PolarHBondContact O-N 3.24Å; K25-I28 PolarHBondContact O-N 2.72Å; I28-G30 VanDerWaalsContact C-N 3.34Å; I28-G30 PolarHBondContact O-N 2.93Å; I28-L31 PolarHBondContact O-N 3.1Å; I28-E32 HydrophobicContact CG2-CG 4.38Å; I28-E32 WeakPolarHBondContact O-CB 3.45Å; I28-E32 WeakPolarHBondContact O-CG 3.32Å; I28-E32 PolarHBondContact O-N 3.42Å; I28-L79 HydrophobicContact CB-CD2 4.4Å; I28-L79 HydrophobicContact CG2-CD2 4.03Å; I28-A82 HydrophobicContact CD1-CB 3.9Å; I28-A82 HydrophobicContact CG1-CB 3.5Å; I28-A82 VanDerWaalsContact CG1-CB 3.5Å; I28-M86 HydrophobicContact CD1-CG 3.87Å |
| 29 | Q | 92.9 | Very high | 91.6 | Very high | 123 Ų | 123 | 69.2 Ų | 69.2 | 58% | 0.575 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61 | -41.7 | 179.2 | -71.6 | 175.2 | -1.5 | 0 | 0 | 112.3 | K25 L26 A33 | K25-Q29 WeakPolarHBondContact O-CG 3.01Å; K25-Q29 PolarHBondContact O-N 2.68Å; L26-Q29 PolarHBondContact O-N 3.09Å; Q29-A33 WeakPolarHBondContact O-CB 3.49Å; Q29-A33 PolarHBondContact O-N 3.38Å |
| 30 | G | 94.1 | Very high | 91.9 | Very high | 43 Ų | 43 | 68.5 Ų | 68.5 | 44% | 0.443 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L26 V27 I28 A33 L34 | L26-G30 PolarHBondContact O-N 2.95Å; V27-G30 PolarHBondContact O-N 2.68Å; I28-G30 VanDerWaalsContact C-N 3.34Å; I28-G30 PolarHBondContact O-N 2.93Å; G30-A33 PolarHBondContact O-N 3.37Å; G30-L34 WeakPolarHBondContact O-CB 3.4Å; G30-L34 PolarHBondContact O-N 3.31Å |
| 31 | L | 93 | Very high | 92.1 | Very high | 40 Ų | 40 | 69 Ų | 69 | 21% | 0.209 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.8 | -36.3 | 177.2 | -72.3 | 175.4 | 0 | 0 | 0 | 112.1 | V27 I28 L34 K35 I75 L79 | V27-L31 HydrophobicContact CG1-CD1 3.71Å; V27-L31 HydrophobicContact CG1-CG 4.17Å; V27-L31 WeakPolarHBondContact O-CB 3.37Å; V27-L31 VanDerWaalsContact O-CG 3.26Å; V27-L31 WeakPolarHBondContact O-CG 3.49Å; V27-L31 PolarHBondContact O-N 3.28Å; I28-L31 PolarHBondContact O-N 3.1Å; L31-L34 PolarHBondContact O-N 3.02Å; L31-K35 VanDerWaalsContact O-CB 3.22Å; L31-K35 WeakPolarHBondContact O-CB 3.49Å; L31-K35 PolarHBondContact O-N 3.36Å; L31-I75 HydrophobicContact CB-CG2 4.1Å; L31-I75 HydrophobicContact CD2-CG2 4.16Å; L31-I75 WeakPolarHBondContact O-CG2 3.41Å; L31-L79 HydrophobicContact CB-CD1 4.38Å; L31-L79 HydrophobicContact CB-CD2 3.58Å; L31-L79 HydrophobicContact CB-CG 3.79Å; L31-L79 HydrophobicContact CD1-CD2 4.29Å; L31-L79 HydrophobicContact CD1-CG 4.3Å |
| 32 | E | 92.8 | Very high | 92.2 | Very high | 91 Ų | 91 | 68.2 Ų | 68.2 | 43% | 0.425 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 173.1 | -77.3 | 175.8 | 169 | 0 | 0 | 111.8 | I28 K35 N36 L79 | I28-E32 HydrophobicContact CG2-CG 4.38Å; I28-E32 WeakPolarHBondContact O-CB 3.45Å; I28-E32 WeakPolarHBondContact O-CG 3.32Å; I28-E32 PolarHBondContact O-N 3.42Å; E32-K35 PolarHBondContact O-N 3.42Å; E32-N36 PolarHBondContact O-N 3.31Å; E32-N36 PolarHBondContact O-ND2 2.88Å; E32-L79 HydrophobicContact CG-CD1 4.29Å; E32-L79 HydrophobicContact CG-CD2 3.91Å |
| 33 | A | 94 | Very high | 92.1 | Very high | 50 Ų | 50 | 70.8 Ų | 70.8 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q29 G30 K35 N36 E37 | Q29-A33 WeakPolarHBondContact O-CB 3.49Å; Q29-A33 PolarHBondContact O-N 3.38Å; G30-A33 PolarHBondContact O-N 3.37Å; A33-K35 VanDerWaalsContact C-N 3.33Å; A33-K35 PolarHBondContact O-N 3.36Å; A33-N36 PolarHBondContact O-N 3.41Å; A33-N36 VanDerWaalsContact O-N 3.14Å; A33-E37 PolarHBondContact O-N 3.37Å |
| 34 | L | 93.6 | Very high | 92 | Very high | 67 Ų | 67 | 70.4 Ų | 70.4 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 178.7 | -171.9 | 66.3 | 0 | 0 | 0 | 112.1 | G30 L31 N36 E37 H38 I75 | G30-L34 WeakPolarHBondContact O-CB 3.4Å; G30-L34 PolarHBondContact O-N 3.31Å; L31-L34 PolarHBondContact O-N 3.02Å; L34-N36 VanDerWaalsContact C-N 3.33Å; L34-N36 PolarHBondContact O-N 2.76Å; L34-E37 PolarHBondContact O-N 2.85Å; L34-H38 WeakPolarHBondContact O-CB 3.49Å; L34-H38 PolarHBondContact O-N 2.88Å; L34-I75 HydrophobicContact CB-CD1 4.4Å; L34-I75 HydrophobicContact CD2-CD1 3.7Å; L34-I75 HydrophobicContact CD2-CG1 4.24Å; L34-I75 HydrophobicContact CG-CD1 3.78Å |
| 35 | K | 92.9 | Very high | 91.7 | Very high | 52 Ų | 52 | 71.2 Ų | 71.2 | 23% | 0.226 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 173.6 | -178.6 | -178.1 | 177.4 | 174.6 | 0 | 111.3 | L31 E32 A33 N39 V72 I75 E76 L79 | L31-K35 VanDerWaalsContact O-CB 3.22Å; L31-K35 WeakPolarHBondContact O-CB 3.49Å; L31-K35 PolarHBondContact O-N 3.36Å; E32-K35 PolarHBondContact O-N 3.42Å; A33-K35 VanDerWaalsContact C-N 3.33Å; A33-K35 PolarHBondContact O-N 3.36Å; K35-N39 WeakPolarHBondContact O-CB 3.25Å; K35-N39 PolarHBondContact O-N 3.08Å; K35-N39 PolarHBondContact O-ND2 3.29Å; K35-V72 HydrophobicContact CG-CG1 4.48Å; K35-I75 HydrophobicContact CB-CG2 3.86Å; K35-E76 HydrophobicContact CD-CG 4.19Å; K35-E76 WeakPolarHBondContact CE-OE1 2.94Å; K35-E76 IonicContact NZ-OE1 2.62Å; K35-E76 PolarHBondContact NZ-OE1 3.27Å; K35-L79 HydrophobicContact CD-CD1 4.06Å |
| 36 | N | 92.5 | Very high | 91.3 | Very high | 107 Ų | 107 | 69 Ų | 69 | 57% | 0.572 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.1 | -41.8 | -179.7 | -69.5 | -24.1 | 0 | 0 | 0 | 111.6 | E32 A33 L34 N39 S40 | E32-N36 PolarHBondContact O-N 3.31Å; E32-N36 PolarHBondContact O-ND2 2.88Å; A33-N36 PolarHBondContact O-N 3.41Å; A33-N36 VanDerWaalsContact O-N 3.14Å; L34-N36 VanDerWaalsContact C-N 3.33Å; L34-N36 PolarHBondContact O-N 2.76Å; N36-N39 PolarHBondContact O-N 3.46Å; N36-S40 WeakPolarHBondContact O-CB 3.49Å; N36-S40 PolarHBondContact O-N 3.14Å |
| 37 | E | 93.4 | Very high | 90.8 | Very high | 119 Ų | 119 | 69.2 Ų | 69.2 | 56% | 0.556 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.1 | -48.1 | 174.9 | -71.2 | -178.8 | -178.6 | 0 | 0 | 111.9 | A33 L34 N39 S40 I41 | A33-E37 PolarHBondContact O-N 3.37Å; L34-E37 PolarHBondContact O-N 2.85Å; E37-N39 VanDerWaalsContact C-N 3.33Å; E37-N39 PolarHBondContact O-N 2.68Å; E37-S40 WeakPolarHBondContact O-CB 3.19Å; E37-S40 PolarHBondContact O-N 3.43Å; E37-I41 WeakPolarHBondContact O-CG1 3.34Å; E37-I41 PolarHBondContact O-N 3.36Å |
| 38 | H | 91.8 | Very high | 90.2 | Very high | 39 Ų | 39 | 68.4 Ų | 68.4 | 18% | 0.181 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 177 | -75.6 | -164.5 | 0 | 0 | 0 | 111.5 | L34 S40 I41 L42 L68 S71 V72 | L34-H38 WeakPolarHBondContact O-CB 3.49Å; L34-H38 PolarHBondContact O-N 2.88Å; H38-S40 PolarHBondContact O-N 3.17Å; H38-I41 PolarHBondContact O-N 3.39Å; H38-L42 WeakPolarHBondContact O-CB 3.05Å; H38-L42 PolarHBondContact O-N 3.08Å; H38-L68 HydrophobicContact CB-CD2 4.17Å; H38-L68 WeakPolarHBondContact O-CD2 3.38Å; H38-S71 PolarHBondContact CE1-OG 2.97Å; H38-S71 PolarHBondContact ND1-OG 3.36Å; H38-V72 HydrophobicContact CB-CG2 3.65Å |
| 39 | N | 91.4 | Very high | 89.5 | Confident | 61 Ų | 61 | 69.1 Ų | 69.1 | 33% | 0.326 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.4 | -38 | 174.7 | -80.9 | -37.9 | 0 | 0 | 0 | 112.9 | K35 N36 E37 L42 H43 | K35-N39 WeakPolarHBondContact O-CB 3.25Å; K35-N39 PolarHBondContact O-N 3.08Å; K35-N39 PolarHBondContact O-ND2 3.29Å; N36-N39 PolarHBondContact O-N 3.46Å; E37-N39 VanDerWaalsContact C-N 3.33Å; E37-N39 PolarHBondContact O-N 2.68Å; N39-L42 PolarHBondContact O-N 2.79Å; N39-H43 WeakPolarHBondContact O-CB 3.36Å; N39-H43 PolarHBondContact O-N 2.92Å |
| 40 | S | 92.8 | Very high | 88.6 | Confident | 82 Ų | 82 | 72 Ų | 72 | 57% | 0.573 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.6 | -43.6 | 175.5 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | N36 E37 H38 H43 S44 | N36-S40 WeakPolarHBondContact O-CB 3.49Å; N36-S40 PolarHBondContact O-N 3.14Å; E37-S40 WeakPolarHBondContact O-CB 3.19Å; E37-S40 PolarHBondContact O-N 3.43Å; H38-S40 PolarHBondContact O-N 3.17Å; S40-H43 PolarHBondContact O-N 3.46Å; S40-S44 PolarHBondContact O-N 3.15Å |
| 41 | I | 90.8 | Very high | 87.7 | Confident | 83 Ų | 83 | 75.1 Ų | 75.1 | 43% | 0.426 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 176.5 | -65.5 | 165.8 | 0 | 0 | 0 | 110.2 | E37 H38 H43 S44 L45 L68 | E37-I41 WeakPolarHBondContact O-CG1 3.34Å; E37-I41 PolarHBondContact O-N 3.36Å; H38-I41 PolarHBondContact O-N 3.39Å; I41-H43 VanDerWaalsContact C-N 3.31Å; I41-H43 PolarHBondContact O-N 3.24Å; I41-S44 PolarHBondContact O-N 3.07Å; I41-L45 HydrophobicContact CG2-CD1 3.85Å; I41-L45 HydrophobicContact CG2-CG 4.26Å; I41-L45 WeakPolarHBondContact O-CB 3.49Å; I41-L45 VanDerWaalsContact O-CG 3.29Å; I41-L45 WeakPolarHBondContact O-CG 3.49Å; I41-L45 PolarHBondContact O-N 3.18Å; I41-L68 HydrophobicContact CB-CD2 3.74Å; I41-L68 HydrophobicContact CG2-CD1 4.18Å; I41-L68 HydrophobicContact CG2-CD2 3.66Å |
| 42 | L | 89.1 | Confident | 86.6 | Confident | 16 Ų | 16 | 75.7 Ų | 75.7 | 8% | 0.084 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 176.2 | -177.2 | 65.5 | 0 | 0 | 0 | 111.1 | H38 N39 L45 L46 S65 L68 | H38-L42 WeakPolarHBondContact O-CB 3.05Å; H38-L42 PolarHBondContact O-N 3.08Å; N39-L42 PolarHBondContact O-N 2.79Å; L42-L45 PolarHBondContact O-N 3.23Å; L42-L46 HydrophobicContact CD1-CD1 4.46Å; L42-L46 HydrophobicContact CG-CD1 4.11Å; L42-L46 WeakPolarHBondContact O-CB 3.44Å; L42-L46 WeakPolarHBondContact O-CG 3.48Å; L42-L46 PolarHBondContact O-N 3.45Å; L42-S65 WeakPolarHBondContact CD1-O 3.38Å; L42-S65 WeakPolarHBondContact CD1-OG 3.27Å; L42-L68 HydrophobicContact CB-CD2 3.99Å; L42-L68 HydrophobicContact CD1-CB 4.16Å |
| 43 | H | 88.1 | Confident | 84.9 | Confident | 117 Ų | 117 | 81.4 Ų | 81.4 | 54% | 0.542 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.7 | -47.6 | 176.2 | -165.7 | 69.5 | 0 | 0 | 0 | 111.6 | N39 S40 I41 L45 L46 E47 | N39-H43 WeakPolarHBondContact O-CB 3.36Å; N39-H43 PolarHBondContact O-N 2.92Å; S40-H43 PolarHBondContact O-N 3.46Å; I41-H43 VanDerWaalsContact C-N 3.31Å; I41-H43 PolarHBondContact O-N 3.24Å; H43-L45 PolarHBondContact O-N 2.75Å; H43-L46 PolarHBondContact O-N 3.27Å; H43-E47 IonicContact NE2-OE1 2.85Å; H43-E47 PolarHBondContact O-N 3.37Å |
| 44 | S | 88 | Confident | 83.2 | Confident | 64 Ų | 64 | 86.1 Ų | 86.1 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62 | -41 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 112.8 | S40 I41 E47 T48 | S40-S44 PolarHBondContact O-N 3.15Å; I41-S44 PolarHBondContact O-N 3.07Å; S44-E47 PolarHBondContact O-N 3.3Å; S44-T48 WeakPolarHBondContact O-CB 3.41Å; S44-T48 PolarHBondContact O-N 3.07Å; S44-T48 PolarHBondContact O-OG1 3.42Å |
| 45 | L | 84.5 | Confident | 81.7 | Confident | 33 Ų | 33 | 89.4 Ų | 89.4 | 17% | 0.173 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 175.7 | -70.7 | 169.7 | 0 | 0 | 0 | 111.5 | I41 L42 H43 T48 I49 V61 K64 L68 | I41-L45 HydrophobicContact CG2-CD1 3.85Å; I41-L45 HydrophobicContact CG2-CG 4.26Å; I41-L45 WeakPolarHBondContact O-CB 3.49Å; I41-L45 VanDerWaalsContact O-CG 3.29Å; I41-L45 WeakPolarHBondContact O-CG 3.49Å; I41-L45 PolarHBondContact O-N 3.18Å; L42-L45 PolarHBondContact O-N 3.23Å; H43-L45 PolarHBondContact O-N 2.75Å; L45-T48 PolarHBondContact O-N 2.94Å; L45-I49 VanDerWaalsContact O-CG1 3.27Å; L45-I49 WeakPolarHBondContact O-CG1 3.49Å; L45-I49 PolarHBondContact O-N 2.95Å; L45-V61 HydrophobicContact CB-CG1 4.26Å; L45-V61 HydrophobicContact CD2-CG1 3.94Å; L45-K64 HydrophobicContact CD1-CB 4.46Å; L45-L68 HydrophobicContact CD1-CD1 4.17Å |
| 46 | L | 81.9 | Confident | 80.2 | Confident | 63 Ų | 63 | 95.2 Ų | 95.2 | 33% | 0.33 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.1 | -36.4 | 176.4 | -73 | 170.5 | 0 | 0 | 0 | 112.6 | L42 H43 I49 K50 | L42-L46 HydrophobicContact CD1-CD1 4.46Å; L42-L46 HydrophobicContact CG-CD1 4.11Å; L42-L46 WeakPolarHBondContact O-CB 3.44Å; L42-L46 WeakPolarHBondContact O-CG 3.48Å; L42-L46 PolarHBondContact O-N 3.45Å; H43-L46 PolarHBondContact O-N 3.27Å; L46-I49 HydrophobicContact CD2-CD1 4.34Å; L46-K50 PolarHBondContact O-N 3.47Å |
| 47 | E | 83 | Confident | 78.9 | Confident | 105 Ų | 105 | 95.3 Ų | 95.3 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 170.5 | -72.6 | -174.1 | 149.7 | 0 | 0 | 111.7 | H43 S44 I49 K50 C51 | H43-E47 IonicContact NE2-OE1 2.85Å; H43-E47 PolarHBondContact O-N 3.37Å; S44-E47 PolarHBondContact O-N 3.3Å; E47-I49 VanDerWaalsContact C-N 3.34Å; E47-I49 PolarHBondContact O-N 2.98Å; E47-K50 WeakPolarHBondContact O-CB 3.48Å; E47-K50 PolarHBondContact O-N 2.72Å; E47-K50 VanDerWaalsContact O-N 3.1Å; E47-C51 PolarHBondContact O-N 3.25Å |
| 48 | T | 81.3 | Confident | 77.8 | Confident | 62 Ų | 62 | 90.6 Ų | 90.6 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 177.7 | -46.7 | 0 | 0 | 0 | 0 | 111.8 | S44 L45 K50 C51 L52 | S44-T48 WeakPolarHBondContact O-CB 3.41Å; S44-T48 PolarHBondContact O-N 3.07Å; S44-T48 PolarHBondContact O-OG1 3.42Å; L45-T48 PolarHBondContact O-N 2.94Å; T48-K50 VanDerWaalsContact C-N 3.27Å; T48-K50 PolarHBondContact O-N 3.09Å; T48-C51 PolarHBondContact O-N 3.46Å; T48-C51 VanDerWaalsContact O-N 3.12Å; T48-L52 HydrophobicContact CG2-CD1 4.16Å; T48-L52 WeakPolarHBondContact O-CG 3.37Å; T48-L52 PolarHBondContact O-N 3.04Å |
| 49 | I | 77.1 | Confident | 77.1 | Confident | 35 Ų | 35 | 93.9 Ų | 93.9 | 18% | 0.179 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -59.3 | -37.2 | 174 | -71.1 | 163.3 | 0 | 0 | 0 | 111.4 | L45 L46 E47 C51 V61 | L45-I49 VanDerWaalsContact O-CG1 3.27Å; L45-I49 WeakPolarHBondContact O-CG1 3.49Å; L45-I49 PolarHBondContact O-N 2.95Å; L46-I49 HydrophobicContact CD2-CD1 4.34Å; E47-I49 VanDerWaalsContact C-N 3.34Å; E47-I49 PolarHBondContact O-N 2.98Å; I49-C51 VanDerWaalsContact C-N 3.25Å; I49-C51 PolarHBondContact O-N 3.47Å; I49-V61 HydrophobicContact CD1-CB 4.41Å; I49-V61 HydrophobicContact CD1-CG1 3.8Å; I49-V61 HydrophobicContact CG1-CB 3.91Å; I49-V61 HydrophobicContact CG1-CG1 3.4Å |
| 50 | K | 75.3 | Confident | 76.5 | Confident | 183 Ų | 183 | 95.5 Ų | 95.5 | 80% | 0.796 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.1 | -23.5 | 178.5 | -71.3 | 175.7 | -179.2 | 174.8 | 0 | 113.2 | L46 E47 T48 | L46-K50 PolarHBondContact O-N 3.47Å; E47-K50 WeakPolarHBondContact O-CB 3.48Å; E47-K50 PolarHBondContact O-N 2.72Å; E47-K50 VanDerWaalsContact O-N 3.1Å; T48-K50 VanDerWaalsContact C-N 3.27Å; T48-K50 PolarHBondContact O-N 3.09Å |
| 51 | C | 75.1 | Confident | 75.9 | Confident | 108 Ų | 108 | 92.7 Ų | 92.7 | 73% | 0.73 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -96.1 | -15 | -176.5 | -67.3 | 0 | 0 | 0 | 0 | 114.3 | E47 T48 I49 | E47-C51 PolarHBondContact O-N 3.25Å; T48-C51 PolarHBondContact O-N 3.46Å; T48-C51 VanDerWaalsContact O-N 3.12Å; I49-C51 VanDerWaalsContact C-N 3.25Å; I49-C51 PolarHBondContact O-N 3.47Å |
| 52 | L | 70.2 | Confident | 75.4 | Confident | 53 Ų | 53 | 93.2 Ų | 93.2 | 28% | 0.277 | 47% | 0.47 | S | S | . | . | trans | -81.9 | 132.4 | -177.1 | -77.7 | 161.4 | 0 | 0 | 0 | 112.1 | T48 E57 V61 | T48-L52 HydrophobicContact CG2-CD1 4.16Å; T48-L52 WeakPolarHBondContact O-CG 3.37Å; T48-L52 PolarHBondContact O-N 3.04Å; L52-E57 HydrophobicContact CD2-CB 4.23Å; L52-V61 HydrophobicContact CD1-CG2 4.09Å | ||
| 53 | K | 55.6 | Low | 75.2 | Confident | 211 Ų | 211 | 98.5 Ų | 98.5 | 92% | 0.917 | 49% | 0.494 | S | S | * | . | trans | -106 | -1.8 | 179 | -70.4 | -174.2 | 178 | -179.8 | 0 | 114.5 | ||||
| 54 | K | 59.3 | Low | 75.1 | Confident | 149 Ų | 149 | 98.3 Ų | 98.3 | 65% | 0.648 | 49% | 0.491 | S | S | * | . | trans | -110.7 | 129.7 | -179.9 | -79.4 | -177.4 | 175.7 | 178.8 | 0 | 110.7 | E56 A58 | K54-E56 PolarHBondContact O-N 2.78Å; K54-A58 PolarHBondContact O-N 3.06Å | ||
| 55 | D | 61 | Low | 75 | Confident | 136 Ų | 136 | 95.3 Ų | 95.3 | 73% | 0.727 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.8 | -34.7 | -172.3 | -73.6 | -33.3 | 0 | 0 | 0 | 114.4 | N59 | D55-N59 VanDerWaalsContact O-CG 3.27Å; D55-N59 PolarHBondContact O-N 2.93Å; D55-N59 VanDerWaalsContact O-N 3.14Å; D55-N59 PolarHBondContact O-ND2 3.34Å |
| 56 | E | 61.6 | Low | 75.1 | Confident | 173 Ų | 173 | 97.1 Ų | 97.1 | 81% | 0.808 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -73 | -39.3 | -177.2 | -69.6 | -164.9 | 163.1 | 0 | 0 | 113.7 | K54 A58 N59 L60 | K54-E56 PolarHBondContact O-N 2.78Å; E56-A58 VanDerWaalsContact C-N 3.35Å; E56-N59 PolarHBondContact O-N 2.92Å; E56-L60 PolarHBondContact O-N 3.01Å |
| 57 | E | 65.5 | Low | 75.5 | Confident | 109 Ų | 109 | 99.9 Ų | 99.9 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.1 | -33.3 | 175.2 | -76.7 | 170.4 | 172.1 | 0 | 0 | 111.2 | L52 V61 | L52-E57 HydrophobicContact CD2-CB 4.23Å; E57-V61 VanDerWaalsContact O-CG2 3.26Å; E57-V61 WeakPolarHBondContact O-CG2 3.39Å; E57-V61 PolarHBondContact O-N 3.5Å |
| 58 | A | 70 | Confident | 75.8 | Confident | 21 Ų | 21 | 96.5 Ų | 96.5 | 17% | 0.174 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K54 E56 V61 H62 | K54-A58 PolarHBondContact O-N 3.06Å; E56-A58 VanDerWaalsContact C-N 3.35Å; A58-V61 PolarHBondContact O-N 3.12Å; A58-H62 WeakPolarHBondContact O-CB 3.23Å; A58-H62 PolarHBondContact O-N 3.3Å |
| 59 | N | 76.8 | Confident | 76.2 | Confident | 107 Ų | 107 | 98.9 Ų | 98.9 | 57% | 0.572 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.1 | -45.2 | 178.5 | -74.7 | -23.5 | 0 | 0 | 0 | 112.6 | D55 E56 V61 H62 E63 | D55-N59 VanDerWaalsContact O-CG 3.27Å; D55-N59 PolarHBondContact O-N 2.93Å; D55-N59 VanDerWaalsContact O-N 3.14Å; D55-N59 PolarHBondContact O-ND2 3.34Å; E56-N59 PolarHBondContact O-N 2.92Å; N59-V61 VanDerWaalsContact C-N 3.33Å; N59-V61 PolarHBondContact O-N 3.36Å; N59-H62 WeakPolarHBondContact O-CB 3.4Å; N59-H62 PolarHBondContact O-N 3.46Å; N59-E63 PolarHBondContact O-N 3.16Å |
| 60 | L | 79.6 | Confident | 76.9 | Confident | 96 Ų | 96 | 103.8 Ų | 103.8 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 178.4 | -175.2 | 66.5 | 0 | 0 | 0 | 112.1 | E56 E63 K64 | E56-L60 PolarHBondContact O-N 3.01Å; L60-E63 PolarHBondContact O-N 3.1Å; L60-K64 WeakPolarHBondContact O-CG 3.3Å; L60-K64 PolarHBondContact O-N 2.87Å; L60-K64 VanDerWaalsContact O-N 3.14Å |
| 61 | V | 79.7 | Confident | 77.8 | Confident | 23 Ų | 23 | 97 Ų | 97 | 14% | 0.139 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -71.4 | -33.2 | 177 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | L45 I49 L52 E57 A58 N59 K64 S65 | L45-V61 HydrophobicContact CB-CG1 4.26Å; L45-V61 HydrophobicContact CD2-CG1 3.94Å; I49-V61 HydrophobicContact CD1-CB 4.41Å; I49-V61 HydrophobicContact CD1-CG1 3.8Å; I49-V61 HydrophobicContact CG1-CB 3.91Å; I49-V61 HydrophobicContact CG1-CG1 3.4Å; L52-V61 HydrophobicContact CD1-CG2 4.09Å; E57-V61 VanDerWaalsContact O-CG2 3.26Å; E57-V61 WeakPolarHBondContact O-CG2 3.39Å; E57-V61 PolarHBondContact O-N 3.5Å; A58-V61 PolarHBondContact O-N 3.12Å; N59-V61 VanDerWaalsContact C-N 3.33Å; N59-V61 PolarHBondContact O-N 3.36Å; V61-K64 PolarHBondContact O-N 2.94Å; V61-S65 WeakPolarHBondContact O-CB 3.36Å; V61-S65 PolarHBondContact O-N 3.04Å |
| 62 | H | 80.9 | Confident | 78.5 | Confident | 94 Ų | 94 | 92.3 Ų | 92.3 | 44% | 0.435 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 172.3 | -124.9 | 82.6 | 0 | 0 | 0 | 112.4 | A58 N59 S65 N66 | A58-H62 WeakPolarHBondContact O-CB 3.23Å; A58-H62 PolarHBondContact O-N 3.3Å; N59-H62 WeakPolarHBondContact O-CB 3.4Å; N59-H62 PolarHBondContact O-N 3.46Å; H62-S65 PolarHBondContact O-N 3.38Å; H62-N66 WeakPolarHBondContact O-CB 3.44Å; H62-N66 VanDerWaalsContact O-CG 3.29Å; H62-N66 PolarHBondContact O-N 3.35Å; H62-N66 PolarHBondContact O-ND2 3.12Å |
| 63 | E | 84.6 | Confident | 79.6 | Confident | 127 Ų | 127 | 94.6 Ų | 94.6 | 59% | 0.593 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 176.2 | -74.5 | -171.3 | 160.6 | 0 | 0 | 112.2 | N59 L60 N66 L67 | N59-E63 PolarHBondContact O-N 3.16Å; L60-E63 PolarHBondContact O-N 3.1Å; E63-N66 PolarHBondContact O-N 2.64Å; E63-L67 PolarHBondContact O-N 3.13Å |
| 64 | K | 85.8 | Confident | 81.4 | Confident | 112 Ų | 112 | 90.9 Ų | 90.9 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 175.5 | -72.7 | -178.8 | 178.7 | -177.7 | 0 | 112.5 | L45 L60 V61 L67 L68 | L45-K64 HydrophobicContact CD1-CB 4.46Å; L60-K64 WeakPolarHBondContact O-CG 3.3Å; L60-K64 PolarHBondContact O-N 2.87Å; L60-K64 VanDerWaalsContact O-N 3.14Å; V61-K64 PolarHBondContact O-N 2.94Å; K64-L67 PolarHBondContact O-N 2.91Å; K64-L68 PolarHBondContact O-N 3.26Å |
| 65 | S | 85.9 | Confident | 83 | Confident | 2 Ų | 2 | 84.3 Ų | 84.3 | 1% | 0.014 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 174.6 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | L42 V61 H62 L68 R69 | L42-S65 WeakPolarHBondContact CD1-O 3.38Å; L42-S65 WeakPolarHBondContact CD1-OG 3.27Å; V61-S65 WeakPolarHBondContact O-CB 3.36Å; V61-S65 PolarHBondContact O-N 3.04Å; H62-S65 PolarHBondContact O-N 3.38Å; S65-L68 PolarHBondContact O-N 3.35Å; S65-R69 WeakPolarHBondContact O-CB 3.28Å; S65-R69 PolarHBondContact O-N 2.96Å |
| 66 | N | 87.8 | Confident | 84.4 | Confident | 71 Ų | 71 | 82.1 Ų | 82.1 | 38% | 0.38 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 176.8 | -74.3 | -25.8 | 0 | 0 | 0 | 112.9 | H62 E63 R69 K70 | H62-N66 WeakPolarHBondContact O-CB 3.44Å; H62-N66 VanDerWaalsContact O-CG 3.29Å; H62-N66 PolarHBondContact O-N 3.35Å; H62-N66 PolarHBondContact O-ND2 3.12Å; E63-N66 PolarHBondContact O-N 2.64Å; N66-R69 PolarHBondContact O-N 3.07Å; N66-K70 WeakPolarHBondContact O-CG 3.34Å; N66-K70 PolarHBondContact O-N 2.95Å; N66-K70 VanDerWaalsContact O-N 3.11Å |
| 67 | L | 89.7 | Confident | 85.9 | Confident | 120 Ų | 120 | 79.1 Ų | 79.1 | 63% | 0.628 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63 | -43.5 | 172.6 | -82.9 | 156.2 | 0 | 0 | 0 | 111.6 | E63 K64 K70 S71 | E63-L67 PolarHBondContact O-N 3.13Å; K64-L67 PolarHBondContact O-N 2.91Å; L67-K70 PolarHBondContact O-N 3.15Å; L67-S71 PolarHBondContact O-N 2.62Å |
| 68 | L | 89.3 | Confident | 87.2 | Confident | 34 Ų | 34 | 75 Ų | 75 | 18% | 0.178 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 176.4 | -111.1 | 99.1 | 0 | 0 | 0 | 112.4 | H38 I41 L42 L45 K64 S65 K70 S71 V72 | H38-L68 HydrophobicContact CB-CD2 4.17Å; H38-L68 WeakPolarHBondContact O-CD2 3.38Å; I41-L68 HydrophobicContact CB-CD2 3.74Å; I41-L68 HydrophobicContact CG2-CD1 4.18Å; I41-L68 HydrophobicContact CG2-CD2 3.66Å; L42-L68 HydrophobicContact CB-CD2 3.99Å; L42-L68 HydrophobicContact CD1-CB 4.16Å; L45-L68 HydrophobicContact CD1-CD1 4.17Å; K64-L68 PolarHBondContact O-N 3.26Å; S65-L68 PolarHBondContact O-N 3.35Å; L68-K70 PolarHBondContact O-N 2.87Å; L68-S71 WeakPolarHBondContact O-CB 3.4Å; L68-S71 PolarHBondContact O-N 3.24Å; L68-S71 VanDerWaalsContact O-N 3.13Å; L68-V72 WeakPolarHBondContact O-CG2 3.29Å; L68-V72 PolarHBondContact O-N 2.94Å |
| 69 | R | 89.8 | Confident | 88.2 | Confident | 113 Ų | 113 | 74.8 Ų | 74.8 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 175.9 | -169.6 | -172.5 | -54.5 | -90.2 | -4.4 | 111.6 | S65 N66 S71 V72 E73 | S65-R69 WeakPolarHBondContact O-CB 3.28Å; S65-R69 PolarHBondContact O-N 2.96Å; N66-R69 PolarHBondContact O-N 3.07Å; R69-S71 VanDerWaalsContact C-N 3.28Å; R69-S71 PolarHBondContact O-N 3.46Å; R69-V72 PolarHBondContact O-N 3.46Å; R69-E73 WeakPolarHBondContact O-CG 3.21Å; R69-E73 PolarHBondContact O-N 2.94Å |
| 70 | K | 92.4 | Very high | 88.9 | Confident | 138 Ų | 138 | 71.4 Ų | 71.4 | 60% | 0.6 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.2 | -38.4 | 174.3 | -71.6 | 177.1 | -179.6 | -179.8 | 0 | 111.9 | N66 L67 L68 E73 M74 | N66-K70 WeakPolarHBondContact O-CG 3.34Å; N66-K70 PolarHBondContact O-N 2.95Å; N66-K70 VanDerWaalsContact O-N 3.11Å; L67-K70 PolarHBondContact O-N 3.15Å; L68-K70 PolarHBondContact O-N 2.87Å; K70-E73 PolarHBondContact O-N 3.41Å; K70-M74 VanDerWaalsContact O-CG 3.31Å; K70-M74 WeakPolarHBondContact O-CG 3.27Å; K70-M74 PolarHBondContact O-N 2.87Å; K70-M74 VanDerWaalsContact O-N 3.09Å |
| 71 | S | 92.4 | Very high | 89.5 | Confident | 39 Ų | 39 | 73.5 Ų | 73.5 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 176.3 | 179.3 | 0 | 0 | 0 | 0 | 112.5 | H38 L67 L68 R69 M74 I75 | H38-S71 PolarHBondContact CE1-OG 2.97Å; H38-S71 PolarHBondContact ND1-OG 3.36Å; L67-S71 PolarHBondContact O-N 2.62Å; L68-S71 WeakPolarHBondContact O-CB 3.4Å; L68-S71 PolarHBondContact O-N 3.24Å; L68-S71 VanDerWaalsContact O-N 3.13Å; R69-S71 VanDerWaalsContact C-N 3.28Å; R69-S71 PolarHBondContact O-N 3.46Å; S71-M74 PolarHBondContact O-N 3.23Å; S71-I75 WeakPolarHBondContact O-CD1 3.43Å; S71-I75 VanDerWaalsContact O-CG1 3.27Å; S71-I75 WeakPolarHBondContact O-CG1 3.26Å; S71-I75 PolarHBondContact O-N 3.42Å |
| 72 | V | 91.6 | Very high | 90.1 | Very high | 10 Ų | 10 | 72.8 Ų | 72.8 | 6% | 0.061 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 175 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | K35 H38 L68 R69 M74 I75 E76 | K35-V72 HydrophobicContact CG-CG1 4.48Å; H38-V72 HydrophobicContact CB-CG2 3.65Å; L68-V72 WeakPolarHBondContact O-CG2 3.29Å; L68-V72 PolarHBondContact O-N 2.94Å; R69-V72 PolarHBondContact O-N 3.46Å; V72-M74 VanDerWaalsContact C-N 3.32Å; V72-M74 PolarHBondContact O-N 3.28Å; V72-I75 PolarHBondContact O-N 2.89Å; V72-I75 VanDerWaalsContact O-N 3.16Å; V72-E76 HydrophobicContact CG1-CG 4.42Å; V72-E76 WeakPolarHBondContact O-CG 3.48Å; V72-E76 PolarHBondContact O-N 3.42Å |
| 73 | E | 92.6 | Very high | 90.6 | Very high | 102 Ų | 102 | 74 Ų | 74 | 48% | 0.477 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 176.1 | -72.8 | 169.1 | -169.4 | 0 | 0 | 111.9 | R69 K70 E76 L77 | R69-E73 WeakPolarHBondContact O-CG 3.21Å; R69-E73 PolarHBondContact O-N 2.94Å; K70-E73 PolarHBondContact O-N 3.41Å; E73-E76 PolarHBondContact O-N 3.15Å; E73-L77 WeakPolarHBondContact O-CG 3.47Å; E73-L77 PolarHBondContact O-N 2.86Å |
| 74 | M | 92.5 | Very high | 90.9 | Very high | 132 Ų | 132 | 72.6 Ų | 72.6 | 65% | 0.65 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.6 | -37.7 | 176.1 | -68.6 | -62.4 | -62.1 | 0 | 0 | 112.8 | K70 S71 V72 L77 G78 | K70-M74 VanDerWaalsContact O-CG 3.31Å; K70-M74 WeakPolarHBondContact O-CG 3.27Å; K70-M74 PolarHBondContact O-N 2.87Å; K70-M74 VanDerWaalsContact O-N 3.09Å; S71-M74 PolarHBondContact O-N 3.23Å; V72-M74 VanDerWaalsContact C-N 3.32Å; V72-M74 PolarHBondContact O-N 3.28Å; M74-L77 PolarHBondContact O-N 3.14Å; M74-L77 HydrophobicContact SD-CD1 4.35Å; M74-G78 PolarHBondContact O-N 2.97Å; M74-G78 VanDerWaalsContact O-N 3.1Å |
| 75 | I | 92.8 | Very high | 91.1 | Very high | 12 Ų | 12 | 72.1 Ų | 72.1 | 6% | 0.062 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 175.9 | -67.6 | 162.5 | 0 | 0 | 0 | 110.7 | L31 L34 K35 S71 V72 G78 L79 | L31-I75 HydrophobicContact CB-CG2 4.1Å; L31-I75 HydrophobicContact CD2-CG2 4.16Å; L31-I75 WeakPolarHBondContact O-CG2 3.41Å; L34-I75 HydrophobicContact CB-CD1 4.4Å; L34-I75 HydrophobicContact CD2-CD1 3.7Å; L34-I75 HydrophobicContact CD2-CG1 4.24Å; L34-I75 HydrophobicContact CG-CD1 3.78Å; K35-I75 HydrophobicContact CB-CG2 3.86Å; S71-I75 WeakPolarHBondContact O-CD1 3.43Å; S71-I75 VanDerWaalsContact O-CG1 3.27Å; S71-I75 WeakPolarHBondContact O-CG1 3.26Å; S71-I75 PolarHBondContact O-N 3.42Å; V72-I75 PolarHBondContact O-N 2.89Å; V72-I75 VanDerWaalsContact O-N 3.16Å; I75-G78 PolarHBondContact O-N 2.93Å; I75-L79 HydrophobicContact CG2-CD1 4.12Å; I75-L79 WeakPolarHBondContact O-CB 3.07Å; I75-L79 WeakPolarHBondContact O-CG 3.37Å; I75-L79 PolarHBondContact O-N 3.44Å |
| 76 | E | 91.6 | Very high | 91.4 | Very high | 90 Ų | 90 | 73.5 Ų | 73.5 | 42% | 0.421 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 176.2 | -73.3 | -175.8 | 156.2 | 0 | 0 | 112.7 | K35 V72 E73 L79 G80 | K35-E76 HydrophobicContact CD-CG 4.19Å; K35-E76 WeakPolarHBondContact CE-OE1 2.94Å; K35-E76 IonicContact NZ-OE1 2.62Å; K35-E76 PolarHBondContact NZ-OE1 3.27Å; V72-E76 HydrophobicContact CG1-CG 4.42Å; V72-E76 WeakPolarHBondContact O-CG 3.48Å; V72-E76 PolarHBondContact O-N 3.42Å; E73-E76 PolarHBondContact O-N 3.15Å; E76-L79 PolarHBondContact O-N 2.9Å; E76-G80 PolarHBondContact O-N 3.39Å |
| 77 | L | 93.2 | Very high | 91.5 | Very high | 110 Ų | 110 | 72.2 Ų | 72.2 | 58% | 0.576 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.5 | -47.2 | 172.4 | -71.2 | 170.4 | 0 | 0 | 0 | 111.4 | E73 M74 L79 G80 E81 | E73-L77 WeakPolarHBondContact O-CG 3.47Å; E73-L77 PolarHBondContact O-N 2.86Å; M74-L77 PolarHBondContact O-N 3.14Å; M74-L77 HydrophobicContact SD-CD1 4.35Å; L77-L79 VanDerWaalsContact C-N 3.34Å; L77-L79 PolarHBondContact O-N 2.86Å; L77-G80 WeakPolarHBondContact O-CA 3.32Å; L77-G80 PolarHBondContact O-N 2.97Å; L77-G80 VanDerWaalsContact O-N 3.12Å; L77-E81 PolarHBondContact O-N 3.29Å |
| 78 | G | 92.3 | Very high | 91.5 | Very high | 22 Ų | 22 | 72.2 Ų | 72.2 | 23% | 0.227 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | M74 I75 E81 A82 | M74-G78 PolarHBondContact O-N 2.97Å; M74-G78 VanDerWaalsContact O-N 3.1Å; I75-G78 PolarHBondContact O-N 2.93Å; G78-E81 PolarHBondContact O-N 3.43Å; G78-A82 PolarHBondContact O-N 3.47Å; G78-A82 VanDerWaalsContact O-N 3.07Å |
| 79 | L | 91.9 | Very high | 91.6 | Very high | 16 Ų | 16 | 71.1 Ų | 71.1 | 8% | 0.084 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63 | -43.3 | 171.6 | -78.7 | 168.6 | 0 | 0 | 0 | 111.5 | I28 L31 E32 K35 I75 E76 L77 E81 A82 Q83 | I28-L79 HydrophobicContact CB-CD2 4.4Å; I28-L79 HydrophobicContact CG2-CD2 4.03Å; L31-L79 HydrophobicContact CB-CD1 4.38Å; L31-L79 HydrophobicContact CB-CD2 3.58Å; L31-L79 HydrophobicContact CB-CG 3.79Å; L31-L79 HydrophobicContact CD1-CD2 4.29Å; L31-L79 HydrophobicContact CD1-CG 4.3Å; E32-L79 HydrophobicContact CG-CD1 4.29Å; E32-L79 HydrophobicContact CG-CD2 3.91Å; K35-L79 HydrophobicContact CD-CD1 4.06Å; I75-L79 HydrophobicContact CG2-CD1 4.12Å; I75-L79 WeakPolarHBondContact O-CB 3.07Å; I75-L79 WeakPolarHBondContact O-CG 3.37Å; I75-L79 PolarHBondContact O-N 3.44Å; E76-L79 PolarHBondContact O-N 2.9Å; L77-L79 VanDerWaalsContact C-N 3.34Å; L77-L79 PolarHBondContact O-N 2.86Å; L79-E81 PolarHBondContact O-N 3.16Å; L79-A82 PolarHBondContact O-N 2.95Å; L79-Q83 WeakPolarHBondContact O-CB 3.31Å; L79-Q83 PolarHBondContact O-N 3.34Å |
| 80 | G | 90.7 | Very high | 91.5 | Very high | 36 Ų | 36 | 70.4 Ų | 70.4 | 37% | 0.371 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.9 | -46.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E76 L77 Q83 V84 | E76-G80 PolarHBondContact O-N 3.39Å; L77-G80 WeakPolarHBondContact O-CA 3.32Å; L77-G80 PolarHBondContact O-N 2.97Å; L77-G80 VanDerWaalsContact O-N 3.12Å; G80-Q83 PolarHBondContact O-N 2.81Å; G80-V84 WeakPolarHBondContact O-CG2 3.38Å; G80-V84 PolarHBondContact O-N 3.43Å |
| 81 | E | 92.8 | Very high | 91.5 | Very high | 141 Ų | 141 | 70.2 Ų | 70.2 | 66% | 0.659 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62 | -45.6 | 176.9 | -69.6 | 179.1 | 171.2 | 0 | 0 | 112.1 | L77 G78 L79 Q83 V84 M85 | L77-E81 PolarHBondContact O-N 3.29Å; G78-E81 PolarHBondContact O-N 3.43Å; L79-E81 PolarHBondContact O-N 3.16Å; E81-Q83 VanDerWaalsContact C-N 3.34Å; E81-Q83 PolarHBondContact O-N 2.85Å; E81-V84 PolarHBondContact O-N 3.28Å; E81-M85 WeakPolarHBondContact O-CG 3.44Å; E81-M85 PolarHBondContact O-N 3.43Å |
| 82 | A | 90.8 | Very high | 91.4 | Very high | 7 Ų | 7 | 72.2 Ų | 72.2 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.9 | -36.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T24 I28 G78 L79 V84 M85 M86 | T24-A82 HydrophobicContact CG2-CB 3.88Å; I28-A82 HydrophobicContact CD1-CB 3.9Å; I28-A82 HydrophobicContact CG1-CB 3.5Å; I28-A82 VanDerWaalsContact CG1-CB 3.5Å; G78-A82 PolarHBondContact O-N 3.47Å; G78-A82 VanDerWaalsContact O-N 3.07Å; L79-A82 PolarHBondContact O-N 2.95Å; A82-V84 VanDerWaalsContact C-N 3.35Å; A82-M85 PolarHBondContact O-N 3.48Å; A82-M86 WeakPolarHBondContact O-CG 3.31Å; A82-M86 PolarHBondContact O-N 2.97Å |
| 83 | Q | 91.6 | Very high | 91.3 | Very high | 119 Ų | 119 | 75.3 Ų | 75.3 | 56% | 0.556 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.7 | -40.5 | 174.8 | -151.8 | 101.1 | 21.6 | 0 | 0 | 111.6 | L79 G80 E81 M86 A87 | L79-Q83 WeakPolarHBondContact O-CB 3.31Å; L79-Q83 PolarHBondContact O-N 3.34Å; G80-Q83 PolarHBondContact O-N 2.81Å; E81-Q83 VanDerWaalsContact C-N 3.34Å; E81-Q83 PolarHBondContact O-N 2.85Å; Q83-M86 PolarHBondContact O-N 2.96Å; Q83-A87 PolarHBondContact O-N 3.2Å |
| 84 | V | 91.9 | Very high | 91.2 | Very high | 98 Ų | 98 | 72.7 Ų | 72.7 | 59% | 0.594 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.8 | -42.8 | 176.1 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | G80 E81 A82 M86 A87 L88 | G80-V84 WeakPolarHBondContact O-CG2 3.38Å; G80-V84 PolarHBondContact O-N 3.43Å; E81-V84 PolarHBondContact O-N 3.28Å; A82-V84 VanDerWaalsContact C-N 3.35Å; V84-M86 VanDerWaalsContact C-N 3.32Å; V84-M86 PolarHBondContact O-N 2.98Å; V84-A87 PolarHBondContact O-N 3.42Å; V84-L88 WeakPolarHBondContact O-CB 3.47Å; V84-L88 PolarHBondContact O-N 3.37Å |
| 85 | M | 90.4 | Very high | 91.1 | Very high | 102 Ų | 102 | 70.6 Ų | 70.6 | 50% | 0.502 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 174.8 | -70.9 | 180 | 64.4 | 0 | 0 | 112 | I20 T24 E81 A82 L88 S89 | I20-M85 HydrophobicContact CG2-CE 4.22Å; T24-M85 HydrophobicContact CG2-CB 4.31Å; E81-M85 WeakPolarHBondContact O-CG 3.44Å; E81-M85 PolarHBondContact O-N 3.43Å; A82-M85 PolarHBondContact O-N 3.48Å; M85-L88 PolarHBondContact O-N 3.12Å; M85-S89 PolarHBondContact O-N 3.49Å |
| 86 | M | 90.4 | Very high | 91 | Very high | 31 Ų | 31 | 73.5 Ų | 73.5 | 15% | 0.153 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 175.8 | -75.1 | -61.1 | -57.5 | 0 | 0 | 112.5 | I21 T24 K25 I28 A82 Q83 V84 S89 N90 | I21-M86 HydrophobicContact CG2-CE 3.95Å; I21-M86 HydrophobicContact CG2-SD 3.84Å; T24-M86 HydrophobicContact CG2-CG 4Å; T24-M86 HydrophobicContact CG2-SD 4.28Å; K25-M86 HydrophobicContact CD-CE 4.39Å; K25-M86 VanDerWaalsContact CE-CE 3.46Å; K25-M86 HydrophobicContact CG-CE 4.03Å; K25-M86 HydrophobicContact CG-SD 4.01Å; I28-M86 HydrophobicContact CD1-CG 3.87Å; A82-M86 WeakPolarHBondContact O-CG 3.31Å; A82-M86 PolarHBondContact O-N 2.97Å; Q83-M86 PolarHBondContact O-N 2.96Å; V84-M86 VanDerWaalsContact C-N 3.32Å; V84-M86 PolarHBondContact O-N 2.98Å; M86-S89 PolarHBondContact O-N 3.2Å; M86-N90 PolarHBondContact O-N 3.23Å; M86-N90 VanDerWaalsContact O-N 3.14Å; M86-N90 PolarHBondContact O-ND2 3.41Å |
| 87 | A | 90.4 | Very high | 91 | Very high | 44 Ų | 44 | 71.4 Ų | 71.4 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q83 V84 S89 N90 H91 | Q83-A87 PolarHBondContact O-N 3.2Å; V84-A87 PolarHBondContact O-N 3.42Å; A87-S89 VanDerWaalsContact C-N 3.34Å; A87-S89 PolarHBondContact O-N 3.43Å; A87-N90 PolarHBondContact O-N 2.89Å; A87-H91 PolarHBondContact O-CD2 3.06Å; A87-H91 PolarHBondContact O-N 3.06Å |
| 88 | L | 90.9 | Very high | 90.8 | Very high | 120 Ų | 120 | 71.8 Ų | 71.8 | 63% | 0.628 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.9 | -43.4 | 177.1 | -166.3 | 104.4 | 0 | 0 | 0 | 111.3 | V84 M85 N90 H91 L92 | V84-L88 WeakPolarHBondContact O-CB 3.47Å; V84-L88 PolarHBondContact O-N 3.37Å; M85-L88 PolarHBondContact O-N 3.12Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.38Å; L88-H91 PolarHBondContact O-N 3.12Å; L88-L92 WeakPolarHBondContact O-CB 3.46Å; L88-L92 PolarHBondContact O-N 3.12Å |
| 89 | S | 89.5 | Confident | 90.8 | Very high | 11 Ų | 11 | 74.8 Ų | 74.8 | 8% | 0.077 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.3 | -40 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 112.5 | I21 M85 M86 A87 L92 N93 | I21-S89 WeakPolarHBondContact CD1-OG 3.38Å; M85-S89 PolarHBondContact O-N 3.49Å; M86-S89 PolarHBondContact O-N 3.2Å; A87-S89 VanDerWaalsContact C-N 3.34Å; A87-S89 PolarHBondContact O-N 3.43Å; S89-L92 PolarHBondContact O-N 3.38Å; S89-N93 WeakPolarHBondContact O-CB 3.34Å; S89-N93 VanDerWaalsContact O-CG 3.25Å; S89-N93 PolarHBondContact O-N 3.4Å; S89-N93 PolarHBondContact O-ND2 3.07Å |
| 90 | N | 89.1 | Confident | 90.8 | Very high | 99 Ų | 99 | 79.9 Ų | 79.9 | 53% | 0.529 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 177.7 | -72.4 | -23 | 0 | 0 | 0 | 111.6 | M86 A87 L88 N93 A94 | M86-N90 PolarHBondContact O-N 3.23Å; M86-N90 VanDerWaalsContact O-N 3.14Å; M86-N90 PolarHBondContact O-ND2 3.41Å; A87-N90 PolarHBondContact O-N 2.89Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.38Å; N90-N93 PolarHBondContact O-N 3.3Å; N90-A94 PolarHBondContact O-N 2.99Å |
| 91 | H | 91.8 | Very high | 90.9 | Very high | 133 Ų | 133 | 85 Ų | 85 | 62% | 0.616 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.5 | -42.5 | 174.8 | -73.3 | -50.2 | 0 | 0 | 0 | 112.1 | A87 L88 N93 A94 V95 | A87-H91 PolarHBondContact O-CD2 3.06Å; A87-H91 PolarHBondContact O-N 3.06Å; L88-H91 PolarHBondContact O-N 3.12Å; H91-N93 PolarHBondContact O-N 3.39Å; H91-A94 PolarHBondContact O-N 3.23Å; H91-V95 WeakPolarHBondContact O-CG2 3.3Å; H91-V95 PolarHBondContact O-N 2.89Å |
| 92 | L | 90.9 | Very high | 90.8 | Very high | 81 Ų | 81 | 83.2 Ų | 83.2 | 42% | 0.424 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 176.5 | -176.2 | 62.9 | 0 | 0 | 0 | 111.4 | L88 S89 A94 V95 E96 | L88-L92 WeakPolarHBondContact O-CB 3.46Å; L88-L92 PolarHBondContact O-N 3.12Å; S89-L92 PolarHBondContact O-N 3.38Å; L92-A94 VanDerWaalsContact C-N 3.34Å; L92-A94 PolarHBondContact O-N 2.96Å; L92-V95 PolarHBondContact O-N 3.43Å; L92-E96 WeakPolarHBondContact O-CB 3.46Å; L92-E96 PolarHBondContact O-N 3.43Å |
| 93 | N | 89 | Confident | 91 | Very high | 76 Ų | 76 | 89.8 Ų | 89.8 | 41% | 0.406 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 177.4 | -72.1 | -15.3 | 0 | 0 | 0 | 112.4 | S89 N90 H91 E96 S97 | S89-N93 WeakPolarHBondContact O-CB 3.34Å; S89-N93 VanDerWaalsContact O-CG 3.25Å; S89-N93 PolarHBondContact O-N 3.4Å; S89-N93 PolarHBondContact O-ND2 3.07Å; N90-N93 PolarHBondContact O-N 3.3Å; H91-N93 PolarHBondContact O-N 3.39Å; N93-E96 PolarHBondContact O-N 3.39Å; N93-S97 WeakPolarHBondContact O-CB 3.36Å; N93-S97 PolarHBondContact O-N 3.24Å |
| 94 | A | 89.8 | Confident | 91 | Very high | 46 Ų | 46 | 86.2 Ų | 86.2 | 38% | 0.38 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.5 | -49.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N90 H91 L92 E96 S97 E98 | N90-A94 PolarHBondContact O-N 2.99Å; H91-A94 PolarHBondContact O-N 3.23Å; L92-A94 VanDerWaalsContact C-N 3.34Å; L92-A94 PolarHBondContact O-N 2.96Å; A94-E96 PolarHBondContact O-N 3.33Å; A94-S97 PolarHBondContact O-N 3.48Å; A94-S97 PolarHBondContact O-OG 3.09Å; A94-E98 PolarHBondContact O-N 3.41Å |
| 95 | V | 92.3 | Very high | 91.1 | Very high | 88 Ų | 88 | 86.8 Ų | 86.8 | 53% | 0.533 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 178.4 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | H91 L92 S97 E98 K99 | H91-V95 WeakPolarHBondContact O-CG2 3.3Å; H91-V95 PolarHBondContact O-N 2.89Å; L92-V95 PolarHBondContact O-N 3.43Å; V95-S97 VanDerWaalsContact C-N 3.31Å; V95-S97 PolarHBondContact O-N 2.91Å; V95-E98 PolarHBondContact O-N 2.9Å; V95-K99 WeakPolarHBondContact O-CB 3.47Å; V95-K99 PolarHBondContact O-N 2.83Å |
| 96 | E | 90.6 | Very high | 91.3 | Very high | 73 Ų | 73 | 86.1 Ų | 86.1 | 34% | 0.341 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 176.5 | -160.3 | 93.8 | -119.2 | 0 | 0 | 111.2 | L92 N93 A94 K99 Q100 | L92-E96 WeakPolarHBondContact O-CB 3.46Å; L92-E96 PolarHBondContact O-N 3.43Å; N93-E96 PolarHBondContact O-N 3.39Å; A94-E96 PolarHBondContact O-N 3.33Å; E96-K99 PolarHBondContact O-N 3.01Å; E96-K99 IonicContact OE1-NZ 3.27Å; E96-K99 PolarHBondContact OE1-NZ 3.46Å; E96-Q100 WeakPolarHBondContact O-CG 3.29Å; E96-Q100 PolarHBondContact O-N 3.4Å |
| 97 | S | 89.8 | Confident | 91.5 | Very high | 47 Ų | 47 | 91.7 Ų | 91.7 | 33% | 0.329 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 177.3 | 83.2 | 0 | 0 | 0 | 0 | 112.5 | N93 A94 V95 Q100 K101 | N93-S97 WeakPolarHBondContact O-CB 3.36Å; N93-S97 PolarHBondContact O-N 3.24Å; A94-S97 PolarHBondContact O-N 3.48Å; A94-S97 PolarHBondContact O-OG 3.09Å; V95-S97 VanDerWaalsContact C-N 3.31Å; V95-S97 PolarHBondContact O-N 2.91Å; S97-Q100 PolarHBondContact O-N 3.47Å; S97-K101 WeakPolarHBondContact O-CG 3.31Å; S97-K101 PolarHBondContact O-N 3.03Å |
| 98 | E | 88.9 | Confident | 91.7 | Very high | 118 Ų | 118 | 98.2 Ų | 98.2 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.5 | -44.1 | 175.8 | -72.5 | -171.8 | 162.5 | 0 | 0 | 111.6 | A94 V95 Q100 K101 L102 | A94-E98 PolarHBondContact O-N 3.41Å; V95-E98 PolarHBondContact O-N 2.9Å; E98-Q100 VanDerWaalsContact C-N 3.28Å; E98-Q100 PolarHBondContact O-N 3.41Å; E98-K101 WeakPolarHBondContact O-CB 3.2Å; E98-K101 PolarHBondContact O-N 3.1Å; E98-K101 VanDerWaalsContact O-N 3.17Å; E98-L102 WeakPolarHBondContact O-CG 3.35Å; E98-L102 PolarHBondContact O-N 3.03Å |
| 99 | K | 92.4 | Very high | 91.7 | Very high | 84 Ų | 84 | 96.3 Ų | 96.3 | 37% | 0.365 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.8 | -41.2 | 173 | 171.5 | -175.2 | 162.9 | -159.2 | 0 | 111.7 | V95 E96 R103 | V95-K99 WeakPolarHBondContact O-CB 3.47Å; V95-K99 PolarHBondContact O-N 2.83Å; E96-K99 PolarHBondContact O-N 3.01Å; E96-K99 IonicContact OE1-NZ 3.27Å; E96-K99 PolarHBondContact OE1-NZ 3.46Å; K99-R103 WeakPolarHBondContact O-CB 3.38Å; K99-R103 WeakPolarHBondContact O-CG 3.38Å; K99-R103 PolarHBondContact O-N 3.19Å |
| 100 | Q | 92.9 | Very high | 91.9 | Very high | 123 Ų | 123 | 99.6 Ų | 99.6 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.9 | -42.7 | 175.6 | -75.9 | 175.9 | -2.5 | 0 | 0 | 112.4 | E96 S97 E98 R103 A104 | E96-Q100 WeakPolarHBondContact O-CG 3.29Å; E96-Q100 PolarHBondContact O-N 3.4Å; S97-Q100 PolarHBondContact O-N 3.47Å; E98-Q100 VanDerWaalsContact C-N 3.28Å; E98-Q100 PolarHBondContact O-N 3.41Å; Q100-R103 PolarHBondContact O-N 3.07Å; Q100-A104 PolarHBondContact O-N 3.08Å |
| 101 | K | 92.5 | Very high | 92.2 | Very high | 145 Ų | 145 | 101.5 Ų | 101.5 | 63% | 0.63 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.5 | -47.4 | 174.8 | -71.5 | 171.2 | -175.7 | 172 | 0 | 111.7 | S97 E98 R103 A104 Q105 | S97-K101 WeakPolarHBondContact O-CG 3.31Å; S97-K101 PolarHBondContact O-N 3.03Å; E98-K101 WeakPolarHBondContact O-CB 3.2Å; E98-K101 PolarHBondContact O-N 3.1Å; E98-K101 VanDerWaalsContact O-N 3.17Å; K101-R103 PolarHBondContact O-N 3.3Å; K101-A104 WeakPolarHBondContact O-CB 3.42Å; K101-A104 PolarHBondContact O-N 2.89Å; K101-Q105 PolarHBondContact O-N 3.3Å |
| 102 | L | 91.5 | Very high | 92.3 | Very high | 103 Ų | 103 | 99.8 Ų | 99.8 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 177.8 | -71.1 | 173 | 0 | 0 | 0 | 111.7 | E98 A104 Q105 V106 | E98-L102 WeakPolarHBondContact O-CG 3.35Å; E98-L102 PolarHBondContact O-N 3.03Å; L102-A104 VanDerWaalsContact C-N 3.31Å; L102-A104 PolarHBondContact O-N 3.22Å; L102-Q105 PolarHBondContact O-N 3.35Å; L102-V106 WeakPolarHBondContact O-CG2 3.45Å; L102-V106 PolarHBondContact O-N 2.97Å |
| 103 | R | 93.8 | Very high | 92.5 | Very high | 144 Ų | 144 | 100 Ų | 100 | 54% | 0.543 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 174.2 | -77.9 | 176.7 | 172.9 | -176.8 | -3.8 | 112.5 | K99 Q100 K101 R107 | K99-R103 WeakPolarHBondContact O-CB 3.38Å; K99-R103 WeakPolarHBondContact O-CG 3.38Å; K99-R103 PolarHBondContact O-N 3.19Å; Q100-R103 PolarHBondContact O-N 3.07Å; K101-R103 PolarHBondContact O-N 3.3Å; R103-R107 WeakPolarHBondContact O-CG 3.17Å; R103-R107 PolarHBondContact O-N 3.39Å; R103-R107 VanDerWaalsContact O-N 3.11Å |
| 104 | A | 92.1 | Very high | 92.8 | Very high | 45 Ų | 45 | 101 Ų | 101 | 37% | 0.372 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q100 K101 L102 R107 R108 | Q100-A104 PolarHBondContact O-N 3.08Å; K101-A104 WeakPolarHBondContact O-CB 3.42Å; K101-A104 PolarHBondContact O-N 2.89Å; L102-A104 VanDerWaalsContact C-N 3.31Å; L102-A104 PolarHBondContact O-N 3.22Å; A104-R107 PolarHBondContact O-N 3.04Å; A104-R108 PolarHBondContact O-N 3.38Å |
| 105 | Q | 94.5 | Very high | 93.1 | Very high | 110 Ų | 110 | 106.2 Ų | 106.2 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.8 | -172.4 | 177.9 | 10.9 | 0 | 0 | 112 | K101 L102 R107 R108 L109 | K101-Q105 PolarHBondContact O-N 3.3Å; L102-Q105 PolarHBondContact O-N 3.35Å; Q105-R107 PolarHBondContact O-N 2.92Å; Q105-R108 PolarHBondContact O-N 3.43Å; Q105-L109 HydrophobicContact CG-CD1 4.22Å; Q105-L109 WeakPolarHBondContact O-CG 3.05Å; Q105-L109 PolarHBondContact O-N 3.14Å |
| 106 | V | 93.4 | Very high | 93.2 | Very high | 87 Ų | 87 | 106.2 Ų | 106.2 | 53% | 0.527 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 175.8 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | L102 R108 L109 C110 | L102-V106 WeakPolarHBondContact O-CG2 3.45Å; L102-V106 PolarHBondContact O-N 2.97Å; V106-R108 VanDerWaalsContact C-N 3.34Å; V106-R108 PolarHBondContact O-N 3.49Å; V106-L109 PolarHBondContact O-N 3.18Å; V106-C110 PolarHBondContact O-N 2.93Å; V106-C110 PolarHBondContact O-SG 2.93Å; V106-C110 VanDerWaalsContact O-SG 3.32Å |
| 107 | R | 94.9 | Very high | 93.5 | Very high | 148 Ų | 148 | 110.7 Ų | 110.7 | 56% | 0.558 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.3 | -44.1 | 176.3 | -74.2 | -170.2 | -62.9 | -93.5 | 2.6 | 112.3 | R103 A104 Q105 C110 Q111 | R103-R107 WeakPolarHBondContact O-CG 3.17Å; R103-R107 PolarHBondContact O-N 3.39Å; R103-R107 VanDerWaalsContact O-N 3.11Å; A104-R107 PolarHBondContact O-N 3.04Å; Q105-R107 PolarHBondContact O-N 2.92Å; R107-C110 PolarHBondContact O-N 3.4Å; R107-Q111 WeakPolarHBondContact O-CG 3.38Å; R107-Q111 PolarHBondContact O-N 3.02Å |
| 108 | R | 94.8 | Very high | 93.8 | Very high | 181 Ų | 181 | 112.7 Ų | 112.7 | 68% | 0.683 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.7 | -46.6 | 176.8 | -176.8 | -178.3 | 176.4 | 178 | 1.4 | 111.5 | A104 Q105 V106 C110 Q111 E112 | A104-R108 PolarHBondContact O-N 3.38Å; Q105-R108 PolarHBondContact O-N 3.43Å; V106-R108 VanDerWaalsContact C-N 3.34Å; V106-R108 PolarHBondContact O-N 3.49Å; R108-C110 VanDerWaalsContact C-N 3.33Å; R108-C110 PolarHBondContact O-N 3.42Å; R108-Q111 PolarHBondContact O-N 3.01Å; R108-E112 WeakPolarHBondContact O-CB 3.29Å; R108-E112 PolarHBondContact O-N 3.49Å |
| 109 | L | 90.7 | Very high | 94.1 | Very high | 81 Ų | 81 | 110.5 Ų | 110.5 | 42% | 0.424 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 178.2 | -72 | 172.6 | 0 | 0 | 0 | 112.2 | Q105 V106 E112 N113 | Q105-L109 HydrophobicContact CG-CD1 4.22Å; Q105-L109 WeakPolarHBondContact O-CG 3.05Å; Q105-L109 PolarHBondContact O-N 3.14Å; V106-L109 PolarHBondContact O-N 3.18Å; L109-E112 PolarHBondContact O-N 3.32Å; L109-N113 WeakPolarHBondContact O-CB 3.34Å; L109-N113 PolarHBondContact O-N 3.07Å; L109-N113 PolarHBondContact O-ND2 3.42Å |
| 110 | C | 94 | Very high | 94.2 | Very high | 80 Ų | 80 | 111.1 Ų | 111.1 | 54% | 0.541 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 173.9 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | V106 R107 R108 N113 Q114 | V106-C110 PolarHBondContact O-N 2.93Å; V106-C110 PolarHBondContact O-SG 2.93Å; V106-C110 VanDerWaalsContact O-SG 3.32Å; R107-C110 PolarHBondContact O-N 3.4Å; R108-C110 VanDerWaalsContact C-N 3.33Å; R108-C110 PolarHBondContact O-N 3.42Å; C110-N113 PolarHBondContact O-N 3.18Å; C110-Q114 PolarHBondContact O-N 3.42Å |
| 111 | Q | 96.1 | Very high | 94.4 | Very high | 139 Ų | 139 | 107.7 Ų | 107.7 | 65% | 0.65 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -43.3 | 176 | -72.3 | 171 | -9.5 | 0 | 0 | 111.9 | R107 R108 Q114 W115 | R107-Q111 WeakPolarHBondContact O-CG 3.38Å; R107-Q111 PolarHBondContact O-N 3.02Å; R108-Q111 PolarHBondContact O-N 3.01Å; Q111-Q114 PolarHBondContact O-N 2.9Å; Q111-W115 PolarHBondContact O-N 3.25Å |
| 112 | E | 94.6 | Very high | 94.5 | Very high | 97 Ų | 97 | 103.8 Ų | 103.8 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 177.1 | -172.4 | 173.1 | -178.5 | 0 | 0 | 111.6 | R108 L109 Q114 W115 L116 | R108-E112 WeakPolarHBondContact O-CB 3.29Å; R108-E112 PolarHBondContact O-N 3.49Å; L109-E112 PolarHBondContact O-N 3.32Å; E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 2.9Å; E112-W115 PolarHBondContact O-N 3.23Å; E112-L116 HydrophobicContact CG-CD1 4.42Å; E112-L116 WeakPolarHBondContact O-CB 3.4Å; E112-L116 VanDerWaalsContact O-CG 3.3Å; E112-L116 WeakPolarHBondContact O-CG 3.35Å; E112-L116 PolarHBondContact O-N 3.32Å |
| 113 | N | 94.1 | Very high | 94.6 | Very high | 86 Ų | 86 | 101.9 Ų | 101.9 | 46% | 0.46 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 173.6 | -85.8 | -73.2 | 0 | 0 | 0 | 112.6 | L109 C110 R117 | L109-N113 WeakPolarHBondContact O-CB 3.34Å; L109-N113 PolarHBondContact O-N 3.07Å; L109-N113 PolarHBondContact O-ND2 3.42Å; C110-N113 PolarHBondContact O-N 3.18Å; N113-R117 VanDerWaalsContact O-CG 3.32Å; N113-R117 WeakPolarHBondContact O-CG 3.46Å; N113-R117 PolarHBondContact O-N 3.06Å; N113-R117 VanDerWaalsContact O-N 3.1Å |
| 114 | Q | 95.6 | Very high | 94.7 | Very high | 96 Ų | 96 | 100.6 Ų | 100.6 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 175.4 | -175.6 | 59.2 | 36.6 | 0 | 0 | 110.6 | C110 Q111 E112 L116 R117 D118 | C110-Q114 PolarHBondContact O-N 3.42Å; Q111-Q114 PolarHBondContact O-N 2.9Å; E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 2.9Å; Q114-L116 VanDerWaalsContact C-N 3.33Å; Q114-L116 PolarHBondContact O-N 3.24Å; Q114-R117 WeakPolarHBondContact O-CB 3.35Å; Q114-R117 PolarHBondContact O-N 3.48Å; Q114-R117 VanDerWaalsContact O-N 3.12Å; Q114-D118 PolarHBondContact NE2-OD1 3.22Å; Q114-D118 VanDerWaalsContact O-CG 3.3Å; Q114-D118 PolarHBondContact O-N 2.84Å |
| 115 | W | 96.3 | Very high | 94.9 | Very high | 155 Ų | 155 | 103.2 Ų | 103.2 | 59% | 0.587 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.1 | -42.8 | 177.5 | -177.8 | 78.7 | 0 | 0 | 0 | 112.5 | Q111 E112 R117 D118 E119 | Q111-W115 PolarHBondContact O-N 3.25Å; E112-W115 PolarHBondContact O-N 3.23Å; W115-R117 VanDerWaalsContact C-N 3.32Å; W115-R117 PolarHBondContact O-N 3.48Å; W115-D118 PolarHBondContact O-N 3.1Å; W115-E119 WeakPolarHBondContact O-CB 3.32Å; W115-E119 PolarHBondContact O-N 3.12Å |
| 116 | L | 94.8 | Very high | 95 | Very high | 89 Ų | 89 | 103.8 Ų | 103.8 | 47% | 0.466 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -36.1 | 176.1 | -72.5 | 172.3 | 0 | 0 | 0 | 112.7 | E112 Q114 L120 | E112-L116 HydrophobicContact CG-CD1 4.42Å; E112-L116 WeakPolarHBondContact O-CB 3.4Å; E112-L116 VanDerWaalsContact O-CG 3.3Å; E112-L116 WeakPolarHBondContact O-CG 3.35Å; E112-L116 PolarHBondContact O-N 3.32Å; Q114-L116 VanDerWaalsContact C-N 3.33Å; Q114-L116 PolarHBondContact O-N 3.24Å; L116-L120 VanDerWaalsContact O-CB 3.29Å; L116-L120 WeakPolarHBondContact O-CB 3.48Å; L116-L120 PolarHBondContact O-N 3.01Å |
| 117 | R | 96 | Very high | 95.1 | Very high | 167 Ų | 167 | 104.3 Ų | 104.3 | 63% | 0.63 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.8 | -41.3 | 174.5 | -74.1 | 172.5 | 178.3 | -177 | -1.6 | 111.5 | N113 Q114 W115 L120 A121 | N113-R117 VanDerWaalsContact O-CG 3.32Å; N113-R117 WeakPolarHBondContact O-CG 3.46Å; N113-R117 PolarHBondContact O-N 3.06Å; N113-R117 VanDerWaalsContact O-N 3.1Å; Q114-R117 WeakPolarHBondContact O-CB 3.35Å; Q114-R117 PolarHBondContact O-N 3.48Å; Q114-R117 VanDerWaalsContact O-N 3.12Å; W115-R117 VanDerWaalsContact C-N 3.32Å; W115-R117 PolarHBondContact O-N 3.48Å; R117-L120 PolarHBondContact O-N 3.32Å; R117-A121 WeakPolarHBondContact O-CB 3.45Å; R117-A121 PolarHBondContact O-N 2.92Å |
| 118 | D | 96.2 | Very high | 95.1 | Very high | 88 Ų | 88 | 102.5 Ų | 102.5 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 178.5 | -62.2 | -21.9 | 0 | 0 | 0 | 110.9 | Q114 W115 A121 N122 | Q114-D118 PolarHBondContact NE2-OD1 3.22Å; Q114-D118 VanDerWaalsContact O-CG 3.3Å; Q114-D118 PolarHBondContact O-N 2.84Å; W115-D118 PolarHBondContact O-N 3.1Å; D118-A121 PolarHBondContact O-N 3.35Å; D118-N122 WeakPolarHBondContact O-CB 3.5Å; D118-N122 PolarHBondContact O-N 2.94Å |
| 119 | E | 95.9 | Very high | 95.1 | Very high | 73 Ų | 73 | 99.8 Ų | 99.8 | 34% | 0.341 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.2 | -39.5 | 175.8 | -166.4 | 60.1 | -145.1 | 0 | 0 | 111.8 | W115 A121 N122 T123 | W115-E119 WeakPolarHBondContact O-CB 3.32Å; W115-E119 PolarHBondContact O-N 3.12Å; E119-A121 VanDerWaalsContact C-N 3.35Å; E119-A121 PolarHBondContact O-N 3.38Å; E119-N122 PolarHBondContact O-N 3.28Å; E119-T123 WeakPolarHBondContact O-CG2 3.34Å; E119-T123 PolarHBondContact O-N 3.39Å; E119-T123 PolarHBondContact O-OG1 2.99Å; E119-T123 VanDerWaalsContact O-OG1 3.07Å |
| 120 | L | 94 | Very high | 95.3 | Very high | 96 Ų | 96 | 98.7 Ų | 98.7 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 172.7 | -177.9 | 65.4 | 0 | 0 | 0 | 111.3 | L116 R117 N122 T123 Q124 | L116-L120 VanDerWaalsContact O-CB 3.29Å; L116-L120 WeakPolarHBondContact O-CB 3.48Å; L116-L120 PolarHBondContact O-N 3.01Å; R117-L120 PolarHBondContact O-N 3.32Å; L120-N122 VanDerWaalsContact C-N 3.34Å; L120-N122 PolarHBondContact O-N 3.35Å; L120-T123 WeakPolarHBondContact CA-OG1 3.4Å; L120-T123 PolarHBondContact O-N 3.31Å; L120-T123 PolarHBondContact O-OG1 2.68Å; L120-Q124 WeakPolarHBondContact O-CB 3.47Å; L120-Q124 VanDerWaalsContact O-CG 3.28Å; L120-Q124 WeakPolarHBondContact O-CG 3.25Å; L120-Q124 PolarHBondContact O-N 2.74Å |
| 121 | A | 95.9 | Very high | 95.3 | Very high | 52 Ų | 52 | 100.3 Ų | 100.3 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R117 D118 E119 Q124 Q125 | R117-A121 WeakPolarHBondContact O-CB 3.45Å; R117-A121 PolarHBondContact O-N 2.92Å; D118-A121 PolarHBondContact O-N 3.35Å; E119-A121 VanDerWaalsContact C-N 3.35Å; E119-A121 PolarHBondContact O-N 3.38Å; A121-Q124 PolarHBondContact O-N 2.86Å; A121-Q125 WeakPolarHBondContact O-CB 3.27Å; A121-Q125 PolarHBondContact O-N 3.31Å |
| 122 | N | 96.4 | Very high | 95.3 | Very high | 62 Ų | 62 | 99 Ų | 99 | 33% | 0.332 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 177.4 | -169 | 1.6 | 0 | 0 | 0 | 112.1 | D118 E119 L120 Q125 K126 | D118-N122 WeakPolarHBondContact O-CB 3.5Å; D118-N122 PolarHBondContact O-N 2.94Å; E119-N122 PolarHBondContact O-N 3.28Å; L120-N122 VanDerWaalsContact C-N 3.34Å; L120-N122 PolarHBondContact O-N 3.35Å; N122-Q125 PolarHBondContact O-N 2.95Å; N122-K126 WeakPolarHBondContact O-CG 3.32Å; N122-K126 PolarHBondContact O-N 2.99Å; N122-K126 WeakPolarHBondContact OD1-CE 3.25Å |
| 123 | T | 93.2 | Very high | 95.4 | Very high | 64 Ų | 64 | 97 Ų | 97 | 39% | 0.393 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 176.7 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | E119 L120 Q125 K126 L127 | E119-T123 WeakPolarHBondContact O-CG2 3.34Å; E119-T123 PolarHBondContact O-N 3.39Å; E119-T123 PolarHBondContact O-OG1 2.99Å; E119-T123 VanDerWaalsContact O-OG1 3.07Å; L120-T123 WeakPolarHBondContact CA-OG1 3.4Å; L120-T123 PolarHBondContact O-N 3.31Å; L120-T123 PolarHBondContact O-OG1 2.68Å; T123-Q125 VanDerWaalsContact C-N 3.34Å; T123-Q125 PolarHBondContact O-N 3.49Å; T123-K126 PolarHBondContact O-N 3.14Å; T123-L127 PolarHBondContact O-N 3.49Å |
| 124 | Q | 95.5 | Very high | 95.4 | Very high | 116 Ų | 116 | 96.5 Ų | 96.5 | 54% | 0.542 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 172.5 | -74.8 | 175.8 | -12.2 | 0 | 0 | 112.1 | L120 A121 K126 L127 Q128 | L120-Q124 WeakPolarHBondContact O-CB 3.47Å; L120-Q124 VanDerWaalsContact O-CG 3.28Å; L120-Q124 WeakPolarHBondContact O-CG 3.25Å; L120-Q124 PolarHBondContact O-N 2.74Å; A121-Q124 PolarHBondContact O-N 2.86Å; Q124-K126 PolarHBondContact O-N 2.95Å; Q124-L127 PolarHBondContact O-N 2.72Å; Q124-Q128 PolarHBondContact O-N 3.19Å |
| 125 | Q | 97.1 | Very high | 95.3 | Very high | 101 Ų | 101 | 94.1 Ų | 94.1 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 176.7 | -167.9 | -175.8 | 18.5 | 0 | 0 | 112.1 | A121 N122 T123 Q128 K129 | A121-Q125 WeakPolarHBondContact O-CB 3.27Å; A121-Q125 PolarHBondContact O-N 3.31Å; N122-Q125 PolarHBondContact O-N 2.95Å; T123-Q125 VanDerWaalsContact C-N 3.34Å; T123-Q125 PolarHBondContact O-N 3.49Å; Q125-Q128 PolarHBondContact O-N 2.88Å; Q125-K129 WeakPolarHBondContact O-CG 3.35Å; Q125-K129 PolarHBondContact O-N 3.15Å |
| 126 | K | 95.8 | Very high | 95.3 | Very high | 122 Ų | 122 | 92.4 Ų | 92.4 | 53% | 0.53 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 175.1 | -72.1 | 174.6 | -176.4 | 172.8 | 0 | 111.7 | N122 T123 Q124 K129 S130 | N122-K126 WeakPolarHBondContact O-CG 3.32Å; N122-K126 PolarHBondContact O-N 2.99Å; N122-K126 WeakPolarHBondContact OD1-CE 3.25Å; T123-K126 PolarHBondContact O-N 3.14Å; Q124-K126 PolarHBondContact O-N 2.95Å; K126-K129 PolarHBondContact O-N 3.31Å; K126-S130 PolarHBondContact O-N 3.1Å |
| 127 | L | 94.4 | Very high | 95.2 | Very high | 97 Ų | 97 | 92.9 Ų | 92.9 | 51% | 0.508 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.3 | -50.6 | 175.4 | 179.6 | 63.3 | 0 | 0 | 0 | 110.6 | T123 Q124 K129 S130 E131 | T123-L127 PolarHBondContact O-N 3.49Å; Q124-L127 PolarHBondContact O-N 2.72Å; L127-K129 VanDerWaalsContact C-N 3.29Å; L127-K129 PolarHBondContact O-N 3.49Å; L127-S130 WeakPolarHBondContact O-CA 3.05Å; L127-S130 PolarHBondContact O-N 3.28Å; L127-S130 PolarHBondContact O-OG 2.94Å; L127-E131 HydrophobicContact CD1-CG 4.4Å; L127-E131 HydrophobicContact CG-CG 4.47Å; L127-E131 WeakPolarHBondContact O-CG 3.44Å; L127-E131 PolarHBondContact O-N 3.44Å |
| 128 | Q | 96.1 | Very high | 95.1 | Very high | 111 Ų | 111 | 90 Ų | 90 | 52% | 0.519 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.2 | -40.2 | 178.5 | -170.6 | -178.7 | 18 | 0 | 0 | 112.4 | Q124 Q125 E131 Q132 | Q124-Q128 PolarHBondContact O-N 3.19Å; Q125-Q128 PolarHBondContact O-N 2.88Å; Q128-E131 PolarHBondContact O-N 2.98Å; Q128-Q132 VanDerWaalsContact O-CG 3.32Å; Q128-Q132 WeakPolarHBondContact O-CG 3.22Å; Q128-Q132 PolarHBondContact O-N 2.88Å |
| 129 | K | 95.6 | Very high | 95.1 | Very high | 123 Ų | 123 | 92.3 Ų | 92.3 | 54% | 0.535 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 174.6 | -74.7 | 177.2 | 179.6 | 179.5 | 0 | 112.2 | Q125 K126 L127 Q132 S133 | Q125-K129 WeakPolarHBondContact O-CG 3.35Å; Q125-K129 PolarHBondContact O-N 3.15Å; K126-K129 PolarHBondContact O-N 3.31Å; L127-K129 VanDerWaalsContact C-N 3.29Å; L127-K129 PolarHBondContact O-N 3.49Å; K129-Q132 PolarHBondContact O-N 3.02Å; K129-S133 PolarHBondContact O-N 3.48Å |
| 130 | S | 94.2 | Very high | 95 | Very high | 59 Ų | 59 | 94.4 Ų | 94.4 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 176.4 | 69.1 | 0 | 0 | 0 | 0 | 112 | K126 L127 Q132 S133 V134 | K126-S130 PolarHBondContact O-N 3.1Å; L127-S130 WeakPolarHBondContact O-CA 3.05Å; L127-S130 PolarHBondContact O-N 3.28Å; L127-S130 PolarHBondContact O-OG 2.94Å; S130-Q132 PolarHBondContact O-N 2.88Å; S130-S133 PolarHBondContact O-N 2.07Å; S130-V134 WeakPolarHBondContact O-CG2 3.36Å; S130-V134 PolarHBondContact O-N 3.42Å |
| 131 | E | 94.4 | Very high | 95 | Very high | 114 Ų | 114 | 95.8 Ų | 95.8 | 53% | 0.533 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.1 | -71.4 | 174.5 | 166.4 | 0 | 0 | 111.5 | L127 Q128 S133 V134 A135 | L127-E131 HydrophobicContact CD1-CG 4.4Å; L127-E131 HydrophobicContact CG-CG 4.47Å; L127-E131 WeakPolarHBondContact O-CG 3.44Å; L127-E131 PolarHBondContact O-N 3.44Å; Q128-E131 PolarHBondContact O-N 2.98Å; E131-S133 VanDerWaalsContact C-N 3.35Å; E131-S133 PolarHBondContact O-N 3.44Å; E131-V134 PolarHBondContact O-N 3.15Å; E131-A135 PolarHBondContact O-N 3.4Å |
| 132 | Q | 95.6 | Very high | 94.9 | Very high | 110 Ų | 110 | 99.5 Ų | 99.5 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 173.7 | -73.6 | 173.4 | -0.3 | 0 | 0 | 112.1 | Q128 K129 S130 A135 Q136 | Q128-Q132 VanDerWaalsContact O-CG 3.32Å; Q128-Q132 WeakPolarHBondContact O-CG 3.22Å; Q128-Q132 PolarHBondContact O-N 2.88Å; K129-Q132 PolarHBondContact O-N 3.02Å; S130-Q132 PolarHBondContact O-N 2.88Å; Q132-A135 PolarHBondContact O-N 2.97Å; Q132-Q136 WeakPolarHBondContact O-CG 3.3Å; Q132-Q136 PolarHBondContact O-N 3.31Å |
| 133 | S | 95.6 | Very high | 94.7 | Very high | 57 Ų | 57 | 102.2 Ų | 102.2 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 176.9 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | K129 S130 E131 Q136 L137 | K129-S133 PolarHBondContact O-N 3.48Å; S130-S133 PolarHBondContact O-N 2.07Å; E131-S133 VanDerWaalsContact C-N 3.35Å; E131-S133 PolarHBondContact O-N 3.44Å; S133-Q136 PolarHBondContact O-N 2.85Å; S133-L137 WeakPolarHBondContact O-CG 3.4Å; S133-L137 PolarHBondContact O-N 3.05Å |
| 134 | V | 94.8 | Very high | 94.6 | Very high | 75 Ų | 75 | 104.9 Ų | 104.9 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 175.6 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | S130 E131 Q136 L137 E138 | S130-V134 WeakPolarHBondContact O-CG2 3.36Å; S130-V134 PolarHBondContact O-N 3.42Å; E131-V134 PolarHBondContact O-N 3.15Å; V134-Q136 VanDerWaalsContact C-N 3.31Å; V134-Q136 PolarHBondContact O-N 3.42Å; V134-L137 PolarHBondContact O-N 3.24Å; V134-E138 HydrophobicContact CG1-CG 4.4Å; V134-E138 WeakPolarHBondContact O-CG 3.43Å; V134-E138 PolarHBondContact O-N 2.97Å |
| 135 | A | 94.4 | Very high | 94.4 | Very high | 46 Ų | 46 | 103.8 Ų | 103.8 | 38% | 0.38 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E131 Q132 E138 E139 | E131-A135 PolarHBondContact O-N 3.4Å; Q132-A135 PolarHBondContact O-N 2.97Å; A135-E138 PolarHBondContact O-N 2.72Å; A135-E139 PolarHBondContact O-N 3.2Å |
| 136 | Q | 94.7 | Very high | 94.1 | Very high | 118 Ų | 118 | 104.2 Ų | 104.2 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.2 | -47.2 | 174.5 | -73.6 | 174.6 | -11.9 | 0 | 0 | 111.9 | Q132 S133 V134 E138 E139 E140 | Q132-Q136 WeakPolarHBondContact O-CG 3.3Å; Q132-Q136 PolarHBondContact O-N 3.31Å; S133-Q136 PolarHBondContact O-N 2.85Å; V134-Q136 VanDerWaalsContact C-N 3.31Å; V134-Q136 PolarHBondContact O-N 3.42Å; Q136-E138 VanDerWaalsContact C-N 3.29Å; Q136-E138 PolarHBondContact O-N 3.34Å; Q136-E139 PolarHBondContact O-N 3Å; Q136-E140 WeakPolarHBondContact O-CG 3.24Å; Q136-E140 PolarHBondContact O-N 3.46Å |
| 137 | L | 93.8 | Very high | 93.7 | Very high | 100 Ų | 100 | 102.2 Ų | 102.2 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -34.5 | 177.8 | -70.8 | 171.8 | 0 | 0 | 0 | 112.4 | S133 V134 K141 | S133-L137 WeakPolarHBondContact O-CG 3.4Å; S133-L137 PolarHBondContact O-N 3.05Å; V134-L137 PolarHBondContact O-N 3.24Å; L137-K141 VanDerWaalsContact O-CB 3.25Å; L137-K141 WeakPolarHBondContact O-CB 3.47Å; L137-K141 PolarHBondContact O-N 3.23Å |
| 138 | E | 94 | Very high | 93.2 | Very high | 106 Ų | 106 | 101.9 Ų | 101.9 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 174.1 | -75.7 | -177.3 | 179 | 0 | 0 | 112.4 | V134 A135 Q136 K142 | V134-E138 HydrophobicContact CG1-CG 4.4Å; V134-E138 WeakPolarHBondContact O-CG 3.43Å; V134-E138 PolarHBondContact O-N 2.97Å; A135-E138 PolarHBondContact O-N 2.72Å; Q136-E138 VanDerWaalsContact C-N 3.29Å; Q136-E138 PolarHBondContact O-N 3.34Å; E138-K142 VanDerWaalsContact O-CG 3.27Å; E138-K142 WeakPolarHBondContact O-CG 3.23Å; E138-K142 PolarHBondContact O-N 3.46Å |
| 139 | E | 95.1 | Very high | 92.6 | Very high | 136 Ų | 136 | 101.9 Ų | 101.9 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.6 | -45.7 | 173.4 | -73 | -176.8 | 173.6 | 0 | 0 | 111.7 | A135 Q136 K141 K142 H143 | A135-E139 PolarHBondContact O-N 3.2Å; Q136-E139 PolarHBondContact O-N 3Å; E139-K141 VanDerWaalsContact C-N 3.32Å; E139-K141 PolarHBondContact O-N 3.5Å; E139-K142 PolarHBondContact O-N 2.95Å; E139-H143 PolarHBondContact O-N 2.8Å |
| 140 | E | 93.7 | Very high | 91.9 | Very high | 117 Ų | 117 | 100 Ų | 100 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 174.9 | -72.7 | 178.4 | -177 | 0 | 0 | 111.6 | Q136 H143 L144 | Q136-E140 WeakPolarHBondContact O-CG 3.24Å; Q136-E140 PolarHBondContact O-N 3.46Å; E140-H143 WeakPolarHBondContact O-CB 2.92Å; E140-H143 PolarHBondContact O-N 3.38Å; E140-L144 WeakPolarHBondContact O-CG 3.33Å; E140-L144 PolarHBondContact O-N 3.25Å |
| 141 | K | 94 | Very high | 91.1 | Very high | 126 Ų | 126 | 103.9 Ų | 103.9 | 55% | 0.548 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 174.9 | 179.5 | -178 | 168.9 | -176.9 | 0 | 111.4 | L137 E139 H143 L144 E145 | L137-K141 VanDerWaalsContact O-CB 3.25Å; L137-K141 WeakPolarHBondContact O-CB 3.47Å; L137-K141 PolarHBondContact O-N 3.23Å; E139-K141 VanDerWaalsContact C-N 3.32Å; E139-K141 PolarHBondContact O-N 3.5Å; K141-H143 VanDerWaalsContact C-N 3.27Å; K141-H143 PolarHBondContact O-N 3.38Å; K141-L144 PolarHBondContact O-N 3.3Å; K141-E145 WeakPolarHBondContact CE-OE1 3.31Å; K141-E145 HydrophobicContact CG-CG 4.48Å; K141-E145 IonicContact NZ-OE1 3.87Å; K141-E145 WeakPolarHBondContact O-CB 3.2Å; K141-E145 WeakPolarHBondContact O-CG 3.41Å; K141-E145 PolarHBondContact O-N 3.31Å |
| 142 | K | 94.2 | Very high | 89.9 | Confident | 130 Ų | 130 | 104.3 Ų | 104.3 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.1 | -39 | 176.5 | -74.7 | 168.1 | -174 | 164 | 0 | 111.5 | E138 E139 E145 F146 | E138-K142 VanDerWaalsContact O-CG 3.27Å; E138-K142 WeakPolarHBondContact O-CG 3.23Å; E138-K142 PolarHBondContact O-N 3.46Å; E139-K142 PolarHBondContact O-N 2.95Å; K142-E145 PolarHBondContact O-N 2.91Å; K142-F146 WeakPolarHBondContact O-CB 3.5Å; K142-F146 PolarHBondContact O-N 3.21Å |
| 143 | H | 92.6 | Very high | 88.6 | Confident | 118 Ų | 118 | 107 Ų | 107 | 55% | 0.546 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 176.2 | -172.4 | 66.5 | 0 | 0 | 0 | 112 | E139 E140 K141 F146 M147 | E139-H143 PolarHBondContact O-N 2.8Å; E140-H143 WeakPolarHBondContact O-CB 2.92Å; E140-H143 PolarHBondContact O-N 3.38Å; K141-H143 VanDerWaalsContact C-N 3.27Å; K141-H143 PolarHBondContact O-N 3.38Å; H143-F146 WeakPolarHBondContact O-CB 3.19Å; H143-F146 PolarHBondContact O-N 3.46Å; H143-M147 WeakPolarHBondContact O-CG 3.32Å; H143-M147 PolarHBondContact O-N 3.16Å |
| 144 | L | 91.8 | Very high | 86.9 | Confident | 121 Ų | 121 | 109.8 Ų | 109.8 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | 175.3 | -72.1 | 172.5 | 0 | 0 | 0 | 112.2 | E140 K141 F146 M147 N148 | E140-L144 WeakPolarHBondContact O-CG 3.33Å; E140-L144 PolarHBondContact O-N 3.25Å; K141-L144 PolarHBondContact O-N 3.3Å; L144-F146 VanDerWaalsContact C-N 3.34Å; L144-M147 PolarHBondContact O-N 3.02Å; L144-N148 WeakPolarHBondContact O-CB 3.46Å; L144-N148 PolarHBondContact O-N 2.96Å |
| 145 | E | 91.2 | Very high | 85.1 | Confident | 92 Ų | 92 | 113.8 Ų | 113.8 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 174.4 | -75.2 | 174.6 | 172.7 | 0 | 0 | 111.3 | K141 K142 N148 Q149 | K141-E145 WeakPolarHBondContact CE-OE1 3.31Å; K141-E145 HydrophobicContact CG-CG 4.48Å; K141-E145 IonicContact NZ-OE1 3.87Å; K141-E145 WeakPolarHBondContact O-CB 3.2Å; K141-E145 WeakPolarHBondContact O-CG 3.41Å; K141-E145 PolarHBondContact O-N 3.31Å; K142-E145 PolarHBondContact O-N 2.91Å; E145-N148 PolarHBondContact O-N 3.43Å; E145-Q149 WeakPolarHBondContact O-CG 3.46Å; E145-Q149 PolarHBondContact O-N 2.95Å |
| 146 | F | 90.5 | Very high | 83.1 | Confident | 110 Ų | 110 | 118.1 Ų | 118.1 | 48% | 0.482 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.4 | -46.2 | 174.3 | 178.2 | -100 | 0 | 0 | 0 | 112.2 | K142 H143 L144 N148 Q149 L150 | K142-F146 WeakPolarHBondContact O-CB 3.5Å; K142-F146 PolarHBondContact O-N 3.21Å; H143-F146 WeakPolarHBondContact O-CB 3.19Å; H143-F146 PolarHBondContact O-N 3.46Å; L144-F146 VanDerWaalsContact C-N 3.34Å; F146-N148 VanDerWaalsContact C-N 3.29Å; F146-N148 PolarHBondContact O-N 3.26Å; F146-Q149 WeakPolarHBondContact O-CB 3.48Å; F146-Q149 PolarHBondContact O-N 3.38Å; F146-L150 HydrophobicContact CE1-CD1 4.17Å; F146-L150 HydrophobicContact CE2-CD1 4.41Å; F146-L150 HydrophobicContact CZ-CD1 3.88Å; F146-L150 PolarHBondContact O-N 2.95Å |
| 147 | M | 86.6 | Confident | 80.9 | Confident | 80 Ų | 80 | 117.9 Ų | 117.9 | 39% | 0.394 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.4 | -36.7 | 175.9 | -74.3 | -63.4 | -67.6 | 0 | 0 | 112.5 | H143 L144 L150 K151 | H143-M147 WeakPolarHBondContact O-CG 3.32Å; H143-M147 PolarHBondContact O-N 3.16Å; L144-M147 PolarHBondContact O-N 3.02Å; M147-L150 PolarHBondContact O-N 3.28Å; M147-K151 PolarHBondContact O-N 3.13Å; M147-K151 VanDerWaalsContact O-N 3.08Å |
| 148 | N | 84.4 | Confident | 78.2 | Confident | 90 Ų | 90 | 118 Ų | 118 | 48% | 0.481 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.3 | -39.5 | 175.9 | -164.1 | -21.7 | 0 | 0 | 0 | 111.4 | L144 E145 F146 L150 K151 K152 | L144-N148 WeakPolarHBondContact O-CB 3.46Å; L144-N148 PolarHBondContact O-N 2.96Å; E145-N148 PolarHBondContact O-N 3.43Å; F146-N148 VanDerWaalsContact C-N 3.29Å; F146-N148 PolarHBondContact O-N 3.26Å; N148-L150 VanDerWaalsContact C-N 3.35Å; N148-K151 PolarHBondContact O-N 3.05Å; N148-K152 WeakPolarHBondContact O-CG 3.36Å; N148-K152 PolarHBondContact O-N 3.37Å |
| 149 | Q | 84.4 | Confident | 75.8 | Confident | 112 Ų | 112 | 118 Ų | 118 | 52% | 0.523 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.2 | -43 | 172 | -71.5 | 172.3 | 17.9 | 0 | 0 | 111.6 | E145 F146 K151 K152 Y153 | E145-Q149 WeakPolarHBondContact O-CG 3.46Å; E145-Q149 PolarHBondContact O-N 2.95Å; F146-Q149 WeakPolarHBondContact O-CB 3.48Å; F146-Q149 PolarHBondContact O-N 3.38Å; Q149-K151 PolarHBondContact O-N 3.46Å; Q149-K152 PolarHBondContact O-N 3.15Å; Q149-Y153 WeakPolarHBondContact O-CD2 3.31Å; Q149-Y153 PolarHBondContact O-N 2.78Å |
| 150 | L | 80.4 | Confident | 73.1 | Confident | 82 Ų | 82 | 117.5 Ų | 117.5 | 43% | 0.429 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60 | -44.9 | 177.1 | -134.8 | 79.4 | 0 | 0 | 0 | 112.1 | F146 M147 N148 K152 Y153 D154 | F146-L150 HydrophobicContact CE1-CD1 4.17Å; F146-L150 HydrophobicContact CE2-CD1 4.41Å; F146-L150 HydrophobicContact CZ-CD1 3.88Å; F146-L150 PolarHBondContact O-N 2.95Å; M147-L150 PolarHBondContact O-N 3.28Å; N148-L150 VanDerWaalsContact C-N 3.35Å; L150-K152 VanDerWaalsContact C-N 3.3Å; L150-K152 PolarHBondContact O-N 2.78Å; L150-Y153 PolarHBondContact O-N 2.82Å; L150-Y153 VanDerWaalsContact O-N 3.14Å; L150-D154 PolarHBondContact O-N 2.76Å; L150-D154 VanDerWaalsContact O-N 3.1Å |
| 151 | K | 77.2 | Confident | 70.2 | Confident | 141 Ų | 141 | 119.1 Ų | 119.1 | 61% | 0.613 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.2 | -36.3 | 177 | -78.3 | -176.8 | 176.7 | -174.9 | 0 | 113.5 | M147 N148 Q149 Y153 D154 E155 | M147-K151 PolarHBondContact O-N 3.13Å; M147-K151 VanDerWaalsContact O-N 3.08Å; N148-K151 PolarHBondContact O-N 3.05Å; Q149-K151 PolarHBondContact O-N 3.46Å; K151-Y153 VanDerWaalsContact C-N 3.31Å; K151-Y153 PolarHBondContact O-N 3.07Å; K151-D154 PolarHBondContact O-N 3.15Å; K151-E155 PolarHBondContact O-N 3.43Å; K151-E155 VanDerWaalsContact O-N 3.07Å |
| 152 | K | 69.8 | Low | 67.4 | Low | 124 Ų | 124 | 121.7 Ų | 121.7 | 54% | 0.539 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.7 | -36.3 | 176.4 | -71.2 | 178.1 | -179.1 | -174.5 | 0 | 112.2 | N148 Q149 L150 D156 | N148-K152 WeakPolarHBondContact O-CG 3.36Å; N148-K152 PolarHBondContact O-N 3.37Å; Q149-K152 PolarHBondContact O-N 3.15Å; L150-K152 VanDerWaalsContact C-N 3.3Å; L150-K152 PolarHBondContact O-N 2.78Å; K152-D156 PolarHBondContact O-N 3.42Å |
| 153 | Y | 67.1 | Low | 65 | Low | 165 Ų | 165 | 124.4 Ų | 124.4 | 65% | 0.647 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.2 | -29.8 | 175.4 | -69 | -71.1 | 0 | 0 | 0 | 112.9 | Q149 L150 K151 D156 V157 | Q149-Y153 WeakPolarHBondContact O-CD2 3.31Å; Q149-Y153 PolarHBondContact O-N 2.78Å; L150-Y153 PolarHBondContact O-N 2.82Å; L150-Y153 VanDerWaalsContact O-N 3.14Å; K151-Y153 VanDerWaalsContact C-N 3.31Å; K151-Y153 PolarHBondContact O-N 3.07Å; Y153-D156 PolarHBondContact O-N 3.02Å; Y153-V157 VanDerWaalsContact O-CG2 3.25Å; Y153-V157 WeakPolarHBondContact O-CG2 3.41Å; Y153-V157 PolarHBondContact O-N 3.44Å |
| 154 | D | 60.3 | Low | 62.4 | Low | 117 Ų | 117 | 127 Ų | 127 | 63% | 0.626 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70 | -33.1 | 172.4 | -83.1 | -19.7 | 0 | 0 | 0 | 112.5 | L150 K151 | L150-D154 PolarHBondContact O-N 2.76Å; L150-D154 VanDerWaalsContact O-N 3.1Å; K151-D154 PolarHBondContact O-N 3.15Å |
| 155 | E | 56.2 | Low | 59.5 | Low | 159 Ų | 159 | 127.2 Ų | 127.2 | 74% | 0.743 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.5 | -33.9 | 172.2 | -79.5 | -174.8 | 164.2 | 0 | 0 | 112.5 | K151 V157 | K151-E155 PolarHBondContact O-N 3.43Å; K151-E155 VanDerWaalsContact O-N 3.07Å; E155-V157 VanDerWaalsContact C-N 3.3Å; E155-V157 PolarHBondContact O-N 3.19Å |
| 156 | D | 52.4 | Low | 56.6 | Low | 137 Ų | 137 | 133.2 Ų | 133.2 | 73% | 0.733 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -2.5 | -179.2 | -76.9 | -27.8 | 0 | 0 | 0 | 114.2 | K152 Y153 | K152-D156 PolarHBondContact O-N 3.42Å; Y153-D156 PolarHBondContact O-N 3.02Å |
| 157 | V | 50.1 | Low | 53.7 | Low | 113 Ų | 113 | 136 Ų | 136 | 69% | 0.685 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 6.4 | -177.5 | 174.6 | 0 | 0 | 0 | 0 | 113.8 | Y153 E155 | Y153-V157 VanDerWaalsContact O-CG2 3.25Å; Y153-V157 WeakPolarHBondContact O-CG2 3.41Å; Y153-V157 PolarHBondContact O-N 3.44Å; E155-V157 VanDerWaalsContact C-N 3.3Å; E155-V157 PolarHBondContact O-N 3.19Å |
| 158 | S | 35.8 | Very low | 51.4 | Low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 69% | 0.686 | S | S | * | * | trans | -115.7 | 105.6 | 174.7 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 159 | P | 45 | Very low | 49.3 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 69% | 0.688 | 70% | 0.704 | S | S | * | * | trans | -93.4 | 148.9 | 165.2 | 35 | -27.9 | 0 | 0 | 0 | 111 | ||||
| 160 | T | 36.3 | Very low | 47.1 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 77% | 0.767 | 72% | 0.717 | S | S | * | * | trans | 75.9 | 139 | 167.3 | 67.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 161 | Q | 34.6 | Very low | 44.7 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | cis | -169.5 | 163.5 | 7.4 | -157.9 | 98.6 | -17.1 | 0 | 0 | 107.1 | ||||
| 162 | E | 35.1 | Very low | 42.3 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 84% | 0.841 | 74% | 0.736 | S | S | * | * | trans | 89 | 118.4 | 148.3 | -81.6 | 161.4 | -151.1 | 0 | 0 | 121.9 | ||||
| 163 | E | 42.7 | Very low | 40.6 | Very low | 187 Ų | 187 | 146.8 Ų | 146.8 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -60.7 | 153.3 | 156.3 | -62.1 | -174 | 147 | 0 | 0 | 112 | ||||
| 164 | K | 38.2 | Very low | 38.8 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | 136.7 | 126.6 | 122.4 | -162.8 | 171.4 | -171.3 | -176 | 0 | 116.1 | |||||
| 165 | D | 32 | Very low | 37.5 | Very low | 126 Ų | 126 | 146 Ų | 146 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | trans | 54.3 | 123 | 153.5 | -62 | -21.4 | 0 | 0 | 0 | 121.9 | ||||
| 166 | R | 29.6 | Very low | 36.4 | Very low | 217 Ų | 217 | 144.8 Ų | 144.8 | 82% | 0.819 | 75% | 0.752 | S | S | * | * | 168.3 | 126.6 | 99.9 | -86.1 | -167.4 | -170.2 | -158.3 | 2.3 | 114.1 | |||||
| 167 | E | 29.8 | Very low | 35.5 | Very low | 169 Ų | 169 | 148.2 Ų | 148.2 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | 52.5 | 127 | 134.1 | -61.2 | -179.9 | 157.9 | 0 | 0 | 123.1 | ||||
| 168 | T | 38.3 | Very low | 34.9 | Very low | 126 Ų | 126 | 148.5 Ų | 148.5 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -59 | 162.5 | 161.8 | 50.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 169 | P | 40.9 | Very low | 34.6 | Very low | 131 Ų | 131 | 150.5 Ų | 150.5 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | -135.2 | 161.2 | 105.1 | 34.2 | -21 | 0 | 0 | 0 | 115 | |||||
| 170 | K | 36.9 | Very low | 34.1 | Very low | 184 Ų | 184 | 151.9 Ų | 151.9 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -81.1 | 175.7 | -176.3 | -68.2 | 175.8 | 169.2 | 178 | 0 | 113.8 | ||||
| 171 | D | 29.9 | Very low | 33.7 | Very low | 135 Ų | 135 | 153.9 Ų | 153.9 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 108.1 | 125.7 | 153.6 | -69.9 | 2.3 | 0 | 0 | 0 | 113.9 | ||||
| 172 | N | 26.6 | Very low | 33.3 | Very low | 132 Ų | 132 | 154.7 Ų | 154.7 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | cis | -154.5 | 130 | 11.2 | -82.3 | -39.5 | 0 | 0 | 0 | 107.1 | ||||
| 173 | L | 34.3 | Very low | 33 | Very low | 148 Ų | 148 | 153.5 Ų | 153.5 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | 84.9 | 135.7 | 84.5 | -141.2 | 90 | 0 | 0 | 0 | 114.1 | |||||
| 174 | D | 30.7 | Very low | 32.2 | Very low | 138 Ų | 138 | 153.3 Ų | 153.3 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 89.6 | 136.1 | 162.8 | -67.3 | -8.3 | 0 | 0 | 0 | 120.3 | ||||
| 175 | D | 33.1 | Very low | 31.6 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | cis | -175.4 | 159.5 | -23.2 | -163.1 | 3 | 0 | 0 | 0 | 104.9 | ||||
| 176 | L | 31.7 | Very low | 31.3 | Very low | 134 Ų | 134 | 152.2 Ų | 152.2 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | trans | 78.8 | 91.3 | 156.1 | -48.7 | 170.7 | 0 | 0 | 0 | 119.8 | ||||
| 177 | F | 34.9 | Very low | 31 | Very low | 209 Ų | 209 | 145.1 Ų | 145.1 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | -63.8 | 146 | 133.7 | -77.1 | -91.2 | 0 | 0 | 0 | 109.9 | ||||
| 178 | P | 36 | Very low | 30.8 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -130.1 | 135.8 | 142 | 7.2 | 14.8 | 0 | 0 | 0 | 113 | ||||
| 179 | N | 29.1 | Very low | 30.1 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -107.9 | 135.2 | 162.8 | -131.6 | 41.1 | 0 | 0 | 0 | 108.1 | ||||
| 180 | D | 35.2 | Very low | 29.3 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | 46.6 | 119.6 | 155 | -55 | -34.7 | 0 | 0 | 0 | 121.5 | ||||
| 181 | E | 27.9 | Very low | 28.6 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | 176.8 | 144.1 | 111.2 | -94 | -167.7 | 178.7 | 0 | 0 | 114.1 | |||||
| 182 | E | 27.4 | Very low | 28.4 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 61.7 | 151.5 | 153.4 | -68.4 | -179.5 | 171.8 | 0 | 0 | 120.2 | ||||
| 183 | E | 27.3 | Very low | 28.3 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | cis | -175.6 | 166.1 | -17.2 | -166.8 | -173.1 | -163.8 | 0 | 0 | 104 | ||||
| 184 | Q | 25.8 | Very low | 28 | Very low | 184 Ų | 184 | 145.9 Ų | 145.9 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | 80.5 | 136.7 | 171.9 | -52 | 173.6 | 10.5 | 0 | 0 | 116.7 | ||||
| 185 | G | 25.3 | Very low | 27.8 | Very low | 68 Ų | 68 | 144 Ų | 144 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | 173.9 | 133.8 | 3.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 186 | Q | 25.6 | Very low | 27.5 | Very low | 208 Ų | 208 | 142.5 Ų | 142.5 | 97% | 0.972 | 77% | 0.774 | S | S | * | * | trans | 49.8 | 131.7 | 141.2 | -61.2 | -179.3 | 4 | 0 | 0 | 123.2 | ||||
| 187 | G | 24.6 | Very low | 27.4 | Very low | 67 Ų | 67 | 142.6 Ų | 142.6 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 151.2 | 81.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 188 | M | 25.2 | Very low | 27 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | 63.1 | 132.8 | 101.8 | -97.4 | 159.3 | 153.3 | 0 | 0 | 114.3 | |||||
| 189 | Q | 24.3 | Very low | 26.6 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 61% | 0.612 | 77% | 0.773 | S | S | * | * | cis | -176.4 | 157.8 | 10.9 | -133 | 172.9 | -4.9 | 0 | 0 | 110.8 | ||||
| 190 | H | 24.4 | Very low | 26.5 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | 74.6 | 140.3 | 155 | -69.7 | 1.3 | 0 | 0 | 0 | 117.9 | ||||
| 191 | Q | 22 | Very low | 26.1 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | cis | -165.3 | 134.6 | 19.1 | -135.1 | 164.6 | 17.4 | 0 | 0 | 107.3 | ||||
| 192 | H | 25 | Very low | 26.2 | Very low | 180 Ų | 180 | 135.6 Ų | 135.6 | 83% | 0.833 | 78% | 0.779 | S | S | * | * | trans | -174 | 98 | 131.7 | -107.4 | -74.2 | 0 | 0 | 0 | 110.8 | ||||
| 193 | N | 25.2 | Very low | 26.5 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -54 | 129.5 | 150.7 | -72.4 | -34.6 | 0 | 0 | 0 | 109.4 | ||||
| 194 | S | 27.1 | Very low | 27 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | 160.2 | 53.7 | 138.5 | 62 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 195 | A | 27.2 | Very low | 28.5 | Very low | 99 Ų | 99 | 120.4 Ų | 120.4 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -124.5 | -7.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 196 | A | 27 | Very low | 30 | Very low | 95 Ų | 95 | 125.8 Ų | 125.8 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -102.8 | 8.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 197 | V | 28.3 | Very low | 32.1 | Very low | 136 Ų | 136 | 117.9 Ų | 117.9 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -119.4 | 1.9 | -177.2 | -174.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 198 | A | 26.7 | Very low | 34.6 | Very low | 89 Ų | 89 | 116.5 Ų | 116.5 | 74% | 0.736 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -103.1 | 6.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A200 | A198-A200 VanDerWaalsContact C-N 3.35Š|
| 199 | A | 28.7 | Very low | 36.9 | Very low | 98 Ų | 98 | 112.4 Ų | 112.4 | 81% | 0.81 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 0.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 200 | A | 26.2 | Very low | 39.3 | Very low | 93 Ų | 93 | 113.3 Ų | 113.3 | 77% | 0.769 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 7.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A198 | A198-A200 VanDerWaalsContact C-N 3.35Š|
| 201 | Q | 27.6 | Very low | 41.9 | Very low | 164 Ų | 164 | 106.8 Ų | 106.8 | 77% | 0.766 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -135.3 | 39.6 | -167.9 | -102.9 | 163.8 | -3.4 | 0 | 0 | 115.3 | ||
| 202 | Q | 30.1 | Very low | 44.8 | Very low | 183 Ų | 183 | 106.6 Ų | 106.6 | 86% | 0.855 | 64% | 0.638 | S | S | * | * | trans | -179.5 | 117 | 146.9 | -99.8 | 154.6 | 55.4 | 0 | 0 | 108.3 | G204 | Q202-G204 PolarHBondContact O-N 2.92Š| ||
| 203 | G | 33.3 | Very low | 47.6 | Very low | 65 Ų | 65 | 103 Ų | 103 | 67% | 0.67 | 63% | 0.629 | S | S | * | * | trans | -68.9 | 49.7 | 168 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 204 | G | 36.9 | Very low | 50.5 | Low | 48 Ų | 48 | 97.5 Ų | 97.5 | 50% | 0.495 | 60% | 0.599 | S | S | . | * | trans | -113.9 | 118.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q202 E206 | Q202-G204 PolarHBondContact O-N 2.92Å; G204-E206 PolarHBondContact O-N 3.47Å | ||
| 205 | Y | 57.1 | Low | 53.1 | Low | 75 Ų | 75 | 93.1 Ų | 93.1 | 29% | 0.294 | 57% | 0.566 | S | S | . | * | trans | -27 | 116.6 | 159.6 | -174.4 | -94.7 | 0 | 0 | 0 | 113.6 | I207 T254 R283 A293 | Y205-I207 HydrophobicContact CD1-CG1 3.62Å; Y205-I207 HydrophobicContact CE1-CG1 3.84Å; Y205-I207 PolarHBondContact O-N 3.14Å; Y205-T254 HydrophobicContact CE1-CG2 3.51Å; Y205-T254 WeakPolarHBondContact OH-CA 3.37Å; Y205-T254 WeakPolarHBondContact OH-CB 3.14Å; Y205-T254 PolarHBondContact OH-OG1 3.4Å; Y205-R283 PolarHBondContact OH-NH2 3.01Å; Y205-A293 HydrophobicContact CD2-CB 4.44Å; Y205-A293 HydrophobicContact CE2-CB 4.31Å | ||
| 206 | E | 56.8 | Low | 55.9 | Low | 181 Ų | 181 | 92.8 Ų | 92.8 | 85% | 0.846 | 55% | 0.551 | S | S | * | * | trans | -76 | 113.9 | 174.7 | -70.1 | -174.7 | 178.8 | 0 | 0 | 109.6 | G204 | G204-E206 PolarHBondContact O-N 3.47Š| ||
| 207 | I | 70.5 | Confident | 58.9 | Low | 41 Ų | 41 | 91.1 Ų | 91.1 | 21% | 0.21 | 53% | 0.528 | C | S | . | . | trans | -83.7 | 124.6 | 174.5 | -59.5 | 170.8 | 0 | 0 | 0 | 107.1 | Y205 A209 L211 H215 T254 | Y205-I207 HydrophobicContact CD1-CG1 3.62Å; Y205-I207 HydrophobicContact CE1-CG1 3.84Å; Y205-I207 PolarHBondContact O-N 3.14Å; I207-A209 PolarHBondContact O-N 3.49Å; I207-L211 HydrophobicContact CG2-CB 3.85Å; I207-H215 HydrophobicContact CD1-CB 4.28Å; I207-H215 WeakPolarHBondContact CD1-CD2 3.12Å; I207-H215 VanDerWaalsContact CD1-CE1 3.41Å; I207-H215 WeakPolarHBondContact CD1-CE1 3.14Å; I207-H215 VanDerWaalsContact CD1-CG 3.48Å; I207-H215 WeakPolarHBondContact CD1-NE2 3.49Å; I207-H215 HydrophobicContact CG2-CB 4.29Å; I207-T254 HydrophobicContact CG2-CG2 4.25Å | ||
| 208 | P | 76.2 | Confident | 61.7 | Low | 38 Ų | 38 | 84.7 Ų | 84.7 | 25% | 0.247 | 49% | 0.489 | C | S | . | . | trans | -50.5 | 140.5 | 177.7 | -27.9 | 34.3 | 0 | 0 | 0 | 111.7 | R210 L211 R212 D251 | P208-R210 HydrophobicContact CB-CG 4.25Å; P208-R210 PolarHBondContact O-N 3.42Å; P208-L211 HydrophobicContact CG-CD1 4.37Å; P208-L211 WeakPolarHBondContact O-CA 3.26Å; P208-L211 PolarHBondContact O-N 2.86Å; P208-R212 PolarHBondContact O-N 2.97Å; P208-R212 VanDerWaalsContact O-N 3.08Å; P208-D251 WeakPolarHBondContact CG-OD1 3.46Å | ||
| 209 | A | 74.9 | Confident | 64.5 | Low | 78 Ų | 78 | 84.5 Ų | 84.5 | 65% | 0.645 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -53.4 | -36.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I207 L211 R212 | I207-A209 PolarHBondContact O-N 3.49Å; A209-L211 VanDerWaalsContact C-N 3.34Å; A209-L211 PolarHBondContact O-N 3.03Å; A209-R212 WeakPolarHBondContact O-CB 3.38Å; A209-R212 PolarHBondContact O-N 2.69Å |
| 210 | R | 73.6 | Confident | 67.4 | Low | 150 Ų | 150 | 84.7 Ų | 84.7 | 57% | 0.566 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.1 | -30.6 | 176 | 68 | -175.8 | 172.9 | -135 | 2.5 | 114.3 | P208 H249 D251 | P208-R210 HydrophobicContact CB-CG 4.25Å; P208-R210 PolarHBondContact O-N 3.42Å; R210-H249 PolarHBondContact NH2-CE1 3.02Å; R210-H249 VanDerWaalsContact NH2-CE1 3.27Å; R210-D251 IonicContact CZ-OD2 2.78Å; R210-D251 IonicContact NE-OD2 3.43Å; R210-D251 PolarHBondContact NE-OD2 3.08Å; R210-D251 IonicContact NH2-OD1 3.53Å; R210-D251 PolarHBondContact NH2-OD1 3.29Å; R210-D251 IonicContact NH2-OD2 2.78Å; R210-D251 PolarHBondContact NH2-OD2 2.97Å |
| 211 | L | 79.4 | Confident | 70.4 | Confident | 9 Ų | 9 | 82.9 Ų | 82.9 | 5% | 0.047 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -92.7 | -12.3 | 178.8 | -64 | -175.4 | 0 | 0 | 0 | 113 | I207 P208 A209 T213 L214 H215 L241 D251 T254 M255 | I207-L211 HydrophobicContact CG2-CB 3.85Å; P208-L211 HydrophobicContact CG-CD1 4.37Å; P208-L211 WeakPolarHBondContact O-CA 3.26Å; P208-L211 PolarHBondContact O-N 2.86Å; A209-L211 VanDerWaalsContact C-N 3.34Å; A209-L211 PolarHBondContact O-N 3.03Å; L211-T213 PolarHBondContact O-N 2.85Å; L211-L214 PolarHBondContact O-N 3.44Å; L211-H215 WeakPolarHBondContact O-CB 3.11Å; L211-H215 PolarHBondContact O-N 3.49Å; L211-L241 HydrophobicContact CD1-CD1 4.35Å; L211-L241 HydrophobicContact CD2-CD1 3.87Å; L211-L241 HydrophobicContact CD2-CD2 4.32Å; L211-D251 HydrophobicContact CD1-CB 3.78Å; L211-D251 WeakPolarHBondContact CD1-OD2 3.48Å; L211-T254 HydrophobicContact CD1-CG2 4.01Å; L211-M255 HydrophobicContact CD1-CG 4.01Å; L211-M255 HydrophobicContact CD1-SD 4.3Å; L211-M255 HydrophobicContact CD2-CG 4.23Å; L211-M255 HydrophobicContact CD2-SD 4.18Å |
| 212 | R | 82.6 | Confident | 73.3 | Confident | 150 Ų | 150 | 75.4 Ų | 75.4 | 57% | 0.566 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | -174.1 | -173.3 | 167.6 | 61.6 | 146.7 | -1.2 | 113 | P208 A209 H215 N216 | P208-R212 PolarHBondContact O-N 2.97Å; P208-R212 VanDerWaalsContact O-N 3.08Å; A209-R212 WeakPolarHBondContact O-CB 3.38Å; A209-R212 PolarHBondContact O-N 2.69Å; R212-H215 PolarHBondContact O-N 3.44Å; R212-N216 WeakPolarHBondContact O-CB 3.35Å; R212-N216 PolarHBondContact O-N 3.46Å; R212-N216 PolarHBondContact O-ND2 2.98Å; R212-N216 PolarHBondContact O-OD1 3.23Å |
| 213 | T | 85.1 | Confident | 76 | Confident | 105 Ų | 105 | 71.2 Ų | 71.2 | 64% | 0.644 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64 | -47.6 | 177.8 | 47.6 | 0 | 0 | 0 | 0 | 111.2 | L211 N216 L217 | L211-T213 PolarHBondContact O-N 2.85Å; T213-N216 PolarHBondContact O-N 3.32Å; T213-L217 WeakPolarHBondContact O-CB 3.3Å; T213-L217 PolarHBondContact O-N 2.78Å |
| 214 | L | 84.4 | Confident | 78.7 | Confident | 34 Ų | 34 | 72.9 Ų | 72.9 | 18% | 0.178 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 175.8 | -175.6 | 73.3 | 0 | 0 | 0 | 111.6 | L211 N216 L217 V218 L233 A237 M255 | L211-L214 PolarHBondContact O-N 3.44Å; L214-N216 PolarHBondContact O-N 3.1Å; L214-L217 PolarHBondContact O-N 2.78Å; L214-V218 VanDerWaalsContact O-CG2 3.27Å; L214-V218 WeakPolarHBondContact O-CG2 2.97Å; L214-V218 PolarHBondContact O-N 2.9Å; L214-L233 HydrophobicContact CD1-CD1 3.79Å; L214-L233 HydrophobicContact CD1-CD2 3.96Å; L214-L233 HydrophobicContact CD1-CG 3.72Å; L214-A237 HydrophobicContact CD1-CB 4.5Å; L214-A237 HydrophobicContact CD2-CB 3.21Å; L214-A237 HydrophobicContact CG-CB 4.43Å; L214-M255 HydrophobicContact CD2-CE 3.55Å; L214-M255 HydrophobicContact CD2-SD 3.88Å; L214-M255 HydrophobicContact CG-CE 4.4Å |
| 215 | H | 82.5 | Confident | 81.1 | Confident | 25 Ų | 25 | 72.4 Ų | 72.4 | 12% | 0.116 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.5 | -48.1 | 176.4 | 174.1 | 76.6 | 0 | 0 | 0 | 112 | I207 L211 R212 L217 V218 I219 I258 | I207-H215 HydrophobicContact CD1-CB 4.28Å; I207-H215 WeakPolarHBondContact CD1-CD2 3.12Å; I207-H215 VanDerWaalsContact CD1-CE1 3.41Å; I207-H215 WeakPolarHBondContact CD1-CE1 3.14Å; I207-H215 VanDerWaalsContact CD1-CG 3.48Å; I207-H215 WeakPolarHBondContact CD1-NE2 3.49Å; I207-H215 HydrophobicContact CG2-CB 4.29Å; L211-H215 WeakPolarHBondContact O-CB 3.11Å; L211-H215 PolarHBondContact O-N 3.49Å; R212-H215 PolarHBondContact O-N 3.44Å; H215-L217 VanDerWaalsContact C-N 3.3Å; H215-L217 PolarHBondContact O-N 3.15Å; H215-V218 PolarHBondContact O-N 2.86Å; H215-I219 WeakPolarHBondContact CE1-CD1 3.24Å; H215-I219 WeakPolarHBondContact NE2-CD1 3.31Å; H215-I219 WeakPolarHBondContact O-CG1 3.23Å; H215-I219 PolarHBondContact O-N 2.89Å; H215-I258 HydrophobicContact CB-CD1 3.98Å; H215-I258 WeakPolarHBondContact ND1-CD1 3.45Å; H215-I258 VanDerWaalsContact ND1-CG1 3.29Å; H215-I258 WeakPolarHBondContact ND1-CG1 3.44Å |
| 216 | N | 86.6 | Confident | 82.8 | Confident | 92 Ų | 92 | 73.9 Ų | 73.9 | 49% | 0.492 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 178.3 | -70.8 | -11.6 | 0 | 0 | 0 | 111.2 | R212 T213 L214 I219 Q220 | R212-N216 WeakPolarHBondContact O-CB 3.35Å; R212-N216 PolarHBondContact O-N 3.46Å; R212-N216 PolarHBondContact O-ND2 2.98Å; R212-N216 PolarHBondContact O-OD1 3.23Å; T213-N216 PolarHBondContact O-N 3.32Å; L214-N216 PolarHBondContact O-N 3.1Å; N216-I219 PolarHBondContact O-N 3.49Å; N216-Q220 VanDerWaalsContact O-CB 3.31Å; N216-Q220 WeakPolarHBondContact O-CB 3.44Å; N216-Q220 PolarHBondContact O-N 3.38Å |
| 217 | L | 88.9 | Confident | 84.4 | Confident | 60 Ų | 60 | 68.3 Ų | 68.3 | 31% | 0.314 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 177.6 | -173.3 | 61 | 0 | 0 | 0 | 111.9 | T213 L214 H215 Q220 Y221 L233 | T213-L217 WeakPolarHBondContact O-CB 3.3Å; T213-L217 PolarHBondContact O-N 2.78Å; L214-L217 PolarHBondContact O-N 2.78Å; H215-L217 VanDerWaalsContact C-N 3.3Å; H215-L217 PolarHBondContact O-N 3.15Å; L217-Q220 PolarHBondContact O-N 2.99Å; L217-Y221 HydrophobicContact CD1-CD2 3.98Å; L217-Y221 HydrophobicContact CD1-CE2 3.35Å; L217-Y221 HydrophobicContact CD2-CE2 3.98Å; L217-Y221 HydrophobicContact CG-CD2 3.85Å; L217-Y221 HydrophobicContact CG-CE2 3.42Å; L217-Y221 VanDerWaalsContact CG-CE2 3.42Å; L217-Y221 WeakPolarHBondContact O-CD2 3.49Å; L217-Y221 PolarHBondContact O-N 2.95Å; L217-L233 HydrophobicContact CD2-CD2 3.83Å; L217-L233 HydrophobicContact CG-CD2 4.06Å |
| 218 | V | 87.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 175.3 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | L214 H215 Q220 Y221 A222 A230 L233 C234 I258 V262 | L214-V218 VanDerWaalsContact O-CG2 3.27Å; L214-V218 WeakPolarHBondContact O-CG2 2.97Å; L214-V218 PolarHBondContact O-N 2.9Å; H215-V218 PolarHBondContact O-N 2.86Å; V218-Q220 VanDerWaalsContact C-N 3.31Å; V218-Q220 PolarHBondContact O-N 3.45Å; V218-Y221 PolarHBondContact O-N 3.43Å; V218-A222 VanDerWaalsContact O-CB 3.28Å; V218-A222 WeakPolarHBondContact O-CB 3.42Å; V218-A222 PolarHBondContact O-N 3.21Å; V218-A230 HydrophobicContact CG1-CB 4.44Å; V218-L233 HydrophobicContact CG2-CD2 3.91Å; V218-L233 HydrophobicContact CG2-CG 4.34Å; V218-C234 WeakPolarHBondContact CG1-SG 3.34Å; V218-C234 WeakPolarHBondContact CG2-SG 3.38Å; V218-I258 HydrophobicContact CB-CG2 4.28Å; V218-I258 HydrophobicContact CG1-CG2 3.65Å; V218-V262 HydrophobicContact CG1-CG2 3.69Å |
| 219 | I | 85.6 | Confident | 86 | Confident | 86 Ų | 86 | 72.3 Ų | 72.3 | 44% | 0.441 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 176.2 | -72.9 | -174.1 | 0 | 0 | 0 | 110.4 | H215 N216 Y221 A222 S223 | H215-I219 WeakPolarHBondContact CE1-CD1 3.24Å; H215-I219 WeakPolarHBondContact NE2-CD1 3.31Å; H215-I219 WeakPolarHBondContact O-CG1 3.23Å; H215-I219 PolarHBondContact O-N 2.89Å; N216-I219 PolarHBondContact O-N 3.49Å; I219-Y221 PolarHBondContact O-N 3.12Å; I219-A222 PolarHBondContact O-N 3.4Å; I219-S223 WeakPolarHBondContact O-CB 3.44Å; I219-S223 PolarHBondContact O-N 3.11Å; I219-S223 PolarHBondContact O-OG 3.47Å |
| 220 | Q | 89.1 | Confident | 86.7 | Confident | 101 Ų | 101 | 68.6 Ų | 68.6 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.5 | -50 | 178.8 | -176.4 | 177.4 | 7.6 | 0 | 0 | 110.9 | N216 L217 V218 A222 S223 Q224 | N216-Q220 VanDerWaalsContact O-CB 3.31Å; N216-Q220 WeakPolarHBondContact O-CB 3.44Å; N216-Q220 PolarHBondContact O-N 3.38Å; L217-Q220 PolarHBondContact O-N 2.99Å; V218-Q220 VanDerWaalsContact C-N 3.31Å; V218-Q220 PolarHBondContact O-N 3.45Å; Q220-A222 PolarHBondContact O-N 3.13Å; Q220-S223 PolarHBondContact O-N 2.98Å; Q220-S223 PolarHBondContact O-OG 3.01Å; Q220-Q224 VanDerWaalsContact O-CG 3.32Å; Q220-Q224 WeakPolarHBondContact O-CG 3.4Å; Q220-Q224 PolarHBondContact O-N 2.96Å; Q220-Q224 VanDerWaalsContact O-N 3.13Å |
| 221 | Y | 90.3 | Very high | 87.6 | Confident | 55 Ų | 55 | 62.3 Ų | 62.3 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 176.7 | -71.4 | -50.3 | 0 | 0 | 0 | 112.8 | L217 V218 I219 S223 Q224 G225 R226 V229 L233 | L217-Y221 HydrophobicContact CD1-CD2 3.98Å; L217-Y221 HydrophobicContact CD1-CE2 3.35Å; L217-Y221 HydrophobicContact CD2-CE2 3.98Å; L217-Y221 HydrophobicContact CG-CD2 3.85Å; L217-Y221 HydrophobicContact CG-CE2 3.42Å; L217-Y221 VanDerWaalsContact CG-CE2 3.42Å; L217-Y221 WeakPolarHBondContact O-CD2 3.49Å; L217-Y221 PolarHBondContact O-N 2.95Å; V218-Y221 PolarHBondContact O-N 3.43Å; I219-Y221 PolarHBondContact O-N 3.12Å; Y221-S223 PolarHBondContact O-N 3.14Å; Y221-Q224 PolarHBondContact O-N 3.36Å; Y221-G225 PolarHBondContact O-N 3.12Å; Y221-R226 HydrophobicContact CD1-CB 4.35Å; Y221-R226 PolarHBondContact O-N 3.02Å; Y221-V229 HydrophobicContact CD1-CG1 4.5Å; Y221-V229 HydrophobicContact CD2-CB 4.47Å; Y221-V229 HydrophobicContact CD2-CG1 3.85Å; Y221-V229 HydrophobicContact CE1-CG1 4.45Å; Y221-V229 HydrophobicContact CE2-CG1 3.74Å; Y221-V229 HydrophobicContact CG-CB 4.41Å; Y221-V229 HydrophobicContact CG-CG1 4.24Å; Y221-L233 HydrophobicContact CD2-CD2 4.43Å; Y221-L233 HydrophobicContact CE2-CD2 4.46Å |
| 222 | A | 86.8 | Confident | 88.3 | Confident | 8 Ų | 8 | 65.4 Ų | 65.4 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | V218 I219 Q220 Q224 G225 Y227 V262 | V218-A222 VanDerWaalsContact O-CB 3.28Å; V218-A222 WeakPolarHBondContact O-CB 3.42Å; V218-A222 PolarHBondContact O-N 3.21Å; I219-A222 PolarHBondContact O-N 3.4Å; Q220-A222 PolarHBondContact O-N 3.13Å; A222-Q224 VanDerWaalsContact C-N 3.27Å; A222-Q224 PolarHBondContact O-N 2.83Å; A222-G225 WeakPolarHBondContact O-CA 3.49Å; A222-G225 PolarHBondContact O-N 3.37Å; A222-Y227 HydrophobicContact CB-CE1 4.15Å; A222-V262 HydrophobicContact CB-CG2 4.19Å |
| 223 | S | 87.4 | Confident | 88.7 | Confident | 94 Ų | 94 | 60.5 Ų | 60.5 | 66% | 0.657 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.9 | -29.5 | 177.6 | 74.4 | 0 | 0 | 0 | 0 | 113.2 | I219 Q220 Y221 G225 | I219-S223 WeakPolarHBondContact O-CB 3.44Å; I219-S223 PolarHBondContact O-N 3.11Å; I219-S223 PolarHBondContact O-OG 3.47Å; Q220-S223 PolarHBondContact O-N 2.98Å; Q220-S223 PolarHBondContact O-OG 3.01Å; Y221-S223 PolarHBondContact O-N 3.14Å; S223-G225 PolarHBondContact O-N 2.96Å |
| 224 | Q | 90.2 | Very high | 89 | Confident | 101 Ų | 101 | 55.5 Ų | 55.5 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -2.5 | 173.9 | -67.7 | 170.8 | 14.4 | 0 | 0 | 112.6 | Q220 Y221 A222 R226 | Q220-Q224 VanDerWaalsContact O-CG 3.32Å; Q220-Q224 WeakPolarHBondContact O-CG 3.4Å; Q220-Q224 PolarHBondContact O-N 2.96Å; Q220-Q224 VanDerWaalsContact O-N 3.13Å; Y221-Q224 PolarHBondContact O-N 3.36Å; A222-Q224 VanDerWaalsContact C-N 3.27Å; A222-Q224 PolarHBondContact O-N 2.83Å; Q224-R226 HydrophobicContact CB-CG 4.14Å; Q224-R226 PolarHBondContact O-N 3.47Å |
| 225 | G | 87.4 | Confident | 89.4 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 38% | 0.381 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 10.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y221 A222 S223 Y227 | Y221-G225 PolarHBondContact O-N 3.12Å; A222-G225 WeakPolarHBondContact O-CA 3.49Å; A222-G225 PolarHBondContact O-N 3.37Å; S223-G225 PolarHBondContact O-N 2.96Å; G225-Y227 WeakPolarHBondContact O-CD2 3.46Å; G225-Y227 PolarHBondContact O-N 3Å |
| 226 | R | 91.9 | Very high | 89.9 | Confident | 106 Ų | 106 | 61.9 Ų | 61.9 | 40% | 0.4 | 32% | 0.319 | S | S | . | . | trans | -83.6 | 59.6 | -179 | -69.3 | -170.6 | 65.3 | -167.7 | 1.5 | 112.1 | Y221 Q224 E228 V229 A230 | Y221-R226 HydrophobicContact CD1-CB 4.35Å; Y221-R226 PolarHBondContact O-N 3.02Å; Q224-R226 HydrophobicContact CB-CG 4.14Å; Q224-R226 PolarHBondContact O-N 3.47Å; R226-E228 WeakPolarHBondContact CA-OE2 3.39Å; R226-E228 VanDerWaalsContact CB-OE1 3.31Å; R226-E228 WeakPolarHBondContact CB-OE1 3.34Å; R226-E228 WeakPolarHBondContact CG-OE1 3.42Å; R226-E228 IonicContact NE-OE1 3.9Å; R226-E228 PolarHBondContact NE-OE1 3.13Å; R226-E228 VanDerWaalsContact NE-OE1 3.15Å; R226-E228 IonicContact NH2-OE1 3.12Å; R226-E228 PolarHBondContact O-N 3.48Å; R226-V229 PolarHBondContact O-N 2.92Å; R226-A230 PolarHBondContact O-N 3.29Å | ||
| 227 | Y | 91.3 | Very high | 90.1 | Very high | 65 Ų | 65 | 58.1 Ų | 58.1 | 26% | 0.255 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.1 | -24.1 | -177.5 | -63.2 | -54.6 | 0 | 0 | 0 | 113.6 | A222 G225 V229 V231 V262 D265 Q266 | A222-Y227 HydrophobicContact CB-CE1 4.15Å; G225-Y227 WeakPolarHBondContact O-CD2 3.46Å; G225-Y227 PolarHBondContact O-N 3Å; Y227-V229 PolarHBondContact O-N 2.96Å; Y227-V231 WeakPolarHBondContact O-CB 3.43Å; Y227-V231 WeakPolarHBondContact O-CG2 3.46Å; Y227-V231 PolarHBondContact O-N 3.13Å; Y227-V231 VanDerWaalsContact O-N 3.12Å; Y227-V262 HydrophobicContact CD1-CG1 3.83Å; Y227-V262 HydrophobicContact CE1-CG1 4.33Å; Y227-D265 HydrophobicContact CE1-CB 4.26Å; Y227-Q266 HydrophobicContact CD1-CG 3.81Å; Y227-Q266 HydrophobicContact CD2-CG 3.69Å; Y227-Q266 HydrophobicContact CE1-CG 4.08Å; Y227-Q266 HydrophobicContact CE2-CG 3.96Å; Y227-Q266 HydrophobicContact CG-CG 3.6Å |
| 228 | E | 89.5 | Confident | 90.2 | Very high | 117 Ų | 117 | 55.9 Ų | 55.9 | 55% | 0.547 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.7 | -24.8 | 175 | 75.2 | -67.2 | 162.9 | 0 | 0 | 113.1 | R226 P232 | R226-E228 WeakPolarHBondContact CA-OE2 3.39Å; R226-E228 VanDerWaalsContact CB-OE1 3.31Å; R226-E228 WeakPolarHBondContact CB-OE1 3.34Å; R226-E228 WeakPolarHBondContact CG-OE1 3.42Å; R226-E228 IonicContact NE-OE1 3.9Å; R226-E228 PolarHBondContact NE-OE1 3.13Å; R226-E228 VanDerWaalsContact NE-OE1 3.15Å; R226-E228 IonicContact NH2-OE1 3.12Å; R226-E228 PolarHBondContact O-N 3.48Å; E228-P232 WeakPolarHBondContact O-CD 3.49Å; E228-P232 WeakPolarHBondContact O-CG 3.49Å |
| 229 | V | 90.3 | Very high | 90.4 | Very high | 45 Ų | 45 | 60.3 Ų | 60.3 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -98.6 | -43.3 | 175.3 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | Y221 R226 Y227 V231 P232 L233 | Y221-V229 HydrophobicContact CD1-CG1 4.5Å; Y221-V229 HydrophobicContact CD2-CB 4.47Å; Y221-V229 HydrophobicContact CD2-CG1 3.85Å; Y221-V229 HydrophobicContact CE1-CG1 4.45Å; Y221-V229 HydrophobicContact CE2-CG1 3.74Å; Y221-V229 HydrophobicContact CG-CB 4.41Å; Y221-V229 HydrophobicContact CG-CG1 4.24Å; R226-V229 PolarHBondContact O-N 2.92Å; Y227-V229 PolarHBondContact O-N 2.96Å; V229-V231 PolarHBondContact O-N 3.07Å; V229-P232 WeakPolarHBondContact O-CD 3.5Å; V229-L233 VanDerWaalsContact O-CB 3.24Å; V229-L233 WeakPolarHBondContact O-CB 3.44Å; V229-L233 PolarHBondContact O-N 2.96Å; V229-L233 VanDerWaalsContact O-N 3.15Å |
| 230 | A | 90.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V218 R226 C234 V262 | V218-A230 HydrophobicContact CG1-CB 4.44Å; R226-A230 PolarHBondContact O-N 3.29Å; A230-C234 PolarHBondContact O-N 3.24Å; A230-C234 PolarHBondContact O-SG 3.4Å; A230-V262 HydrophobicContact CB-CG1 4.28Å |
| 231 | V | 92.4 | Very high | 90.7 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 12% | 0.115 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.6 | -50.6 | -176.8 | 172 | 0 | 0 | 0 | 0 | 112.3 | Y227 V229 L233 C234 K235 L259 V262 Y263 Q266 | Y227-V231 WeakPolarHBondContact O-CB 3.43Å; Y227-V231 WeakPolarHBondContact O-CG2 3.46Å; Y227-V231 PolarHBondContact O-N 3.13Å; Y227-V231 VanDerWaalsContact O-N 3.12Å; V229-V231 PolarHBondContact O-N 3.07Å; V231-L233 VanDerWaalsContact C-N 3.29Å; V231-L233 PolarHBondContact O-N 3.38Å; V231-C234 PolarHBondContact O-N 3.16Å; V231-K235 HydrophobicContact CG1-CD 4.35Å; V231-K235 WeakPolarHBondContact O-CG 3.38Å; V231-K235 PolarHBondContact O-N 3.04Å; V231-L259 HydrophobicContact CG1-CD1 4.23Å; V231-L259 HydrophobicContact CG2-CD1 4.35Å; V231-V262 HydrophobicContact CG2-CG1 3.75Å; V231-Y263 HydrophobicContact CG1-CE1 3.89Å; V231-Y263 WeakPolarHBondContact CG1-OH 3.34Å; V231-Y263 HydrophobicContact CG2-CD1 4.3Å; V231-Y263 HydrophobicContact CG2-CE1 3.77Å; V231-Q266 VanDerWaalsContact CG2-NE2 3.31Å |
| 232 | P | 93.2 | Very high | 90.8 | Very high | 73 Ų | 73 | 56.6 Ų | 56.6 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 175.9 | -26.9 | 37.3 | 0 | 0 | 0 | 112.9 | E228 V229 C234 K235 Q236 | E228-P232 WeakPolarHBondContact O-CD 3.49Å; E228-P232 WeakPolarHBondContact O-CG 3.49Å; V229-P232 WeakPolarHBondContact O-CD 3.5Å; P232-C234 PolarHBondContact O-N 3.48Å; P232-K235 PolarHBondContact O-N 3.47Å; P232-Q236 WeakPolarHBondContact O-CB 3.17Å; P232-Q236 PolarHBondContact O-N 2.82Å |
| 233 | L | 91.3 | Very high | 90.9 | Very high | 48 Ų | 48 | 63.7 Ų | 63.7 | 25% | 0.251 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 177.1 | -177.1 | 66.1 | 0 | 0 | 0 | 111.9 | L214 L217 V218 Y221 V229 V231 A237 | L214-L233 HydrophobicContact CD1-CD1 3.79Å; L214-L233 HydrophobicContact CD1-CD2 3.96Å; L214-L233 HydrophobicContact CD1-CG 3.72Å; L217-L233 HydrophobicContact CD2-CD2 3.83Å; L217-L233 HydrophobicContact CG-CD2 4.06Å; V218-L233 HydrophobicContact CG2-CD2 3.91Å; V218-L233 HydrophobicContact CG2-CG 4.34Å; Y221-L233 HydrophobicContact CD2-CD2 4.43Å; Y221-L233 HydrophobicContact CE2-CD2 4.46Å; V229-L233 VanDerWaalsContact O-CB 3.24Å; V229-L233 WeakPolarHBondContact O-CB 3.44Å; V229-L233 PolarHBondContact O-N 2.96Å; V229-L233 VanDerWaalsContact O-N 3.15Å; V231-L233 VanDerWaalsContact C-N 3.29Å; V231-L233 PolarHBondContact O-N 3.38Å; L233-A237 WeakPolarHBondContact O-CB 3.45Å; L233-A237 PolarHBondContact O-N 3.24Å; L233-A237 VanDerWaalsContact O-N 3.09Å |
| 234 | C | 91.5 | Very high | 91 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 174.1 | -80.2 | 0 | 0 | 0 | 0 | 113 | V218 A230 V231 P232 A237 L238 M255 L259 | V218-C234 WeakPolarHBondContact CG1-SG 3.34Å; V218-C234 WeakPolarHBondContact CG2-SG 3.38Å; A230-C234 PolarHBondContact O-N 3.24Å; A230-C234 PolarHBondContact O-SG 3.4Å; V231-C234 PolarHBondContact O-N 3.16Å; P232-C234 PolarHBondContact O-N 3.48Å; C234-A237 PolarHBondContact O-N 3.08Å; C234-L238 WeakPolarHBondContact O-CB 3.07Å; C234-L238 WeakPolarHBondContact O-CG 3.45Å; C234-L238 PolarHBondContact O-N 2.66Å; C234-M255 HydrophobicContact CB-CE 4.46Å; C234-L259 HydrophobicContact CB-CB 4.16Å; C234-L259 HydrophobicContact CB-CD1 3.82Å; C234-L259 HydrophobicContact CB-CG 4.39Å |
| 235 | K | 92.9 | Very high | 90.8 | Very high | 99 Ų | 99 | 62 Ų | 62 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 179.6 | -74.9 | -174.1 | 173 | -166.3 | 0 | 111.7 | V231 P232 A237 L238 E239 L259 Y263 | V231-K235 HydrophobicContact CG1-CD 4.35Å; V231-K235 WeakPolarHBondContact O-CG 3.38Å; V231-K235 PolarHBondContact O-N 3.04Å; P232-K235 PolarHBondContact O-N 3.47Å; K235-A237 VanDerWaalsContact C-N 3.32Å; K235-A237 PolarHBondContact O-N 3.5Å; K235-L238 WeakPolarHBondContact O-CB 3.43Å; K235-L238 PolarHBondContact O-N 2.93Å; K235-E239 WeakPolarHBondContact O-CG 3.07Å; K235-E239 PolarHBondContact O-N 3.31Å; K235-L259 HydrophobicContact CG-CD2 4.32Å; K235-Y263 WeakPolarHBondContact CE-OH 3.34Å |
| 236 | Q | 92.1 | Very high | 90.9 | Very high | 93 Ų | 93 | 61.6 Ų | 61.6 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.8 | -47.7 | 176 | -175.5 | 60.8 | 49.8 | 0 | 0 | 111 | P232 L238 E239 D240 | P232-Q236 WeakPolarHBondContact O-CB 3.17Å; P232-Q236 PolarHBondContact O-N 2.82Å; Q236-L238 VanDerWaalsContact C-N 3.31Å; Q236-L238 PolarHBondContact O-N 3.23Å; Q236-E239 PolarHBondContact O-N 2.82Å; Q236-D240 PolarHBondContact NE2-OD1 3.2Å; Q236-D240 PolarHBondContact NE2-OD2 3.03Å; Q236-D240 VanDerWaalsContact O-CG 3.22Å; Q236-D240 PolarHBondContact O-N 2.97Å |
| 237 | A | 91.1 | Very high | 90.8 | Very high | 13 Ų | 13 | 60 Ų | 60 | 11% | 0.107 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.9 | -32.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L214 L233 C234 K235 L241 M255 | L214-A237 HydrophobicContact CD1-CB 4.5Å; L214-A237 HydrophobicContact CD2-CB 3.21Å; L214-A237 HydrophobicContact CG-CB 4.43Å; L233-A237 WeakPolarHBondContact O-CB 3.45Å; L233-A237 PolarHBondContact O-N 3.24Å; L233-A237 VanDerWaalsContact O-N 3.09Å; C234-A237 PolarHBondContact O-N 3.08Å; K235-A237 VanDerWaalsContact C-N 3.32Å; K235-A237 PolarHBondContact O-N 3.5Å; A237-L241 WeakPolarHBondContact O-CB 3.4Å; A237-L241 WeakPolarHBondContact O-CD1 3.43Å; A237-L241 VanDerWaalsContact O-CG 3.26Å; A237-L241 WeakPolarHBondContact O-CG 3.44Å; A237-L241 PolarHBondContact O-N 3.24Å; A237-M255 HydrophobicContact CB-CE 3.93Å |
| 238 | L | 91.8 | Very high | 90.8 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.1 | -47.8 | 171.2 | -82 | 165.8 | 0 | 0 | 0 | 110.9 | C234 K235 Q236 D240 L241 E242 V252 M255 L256 L259 | C234-L238 WeakPolarHBondContact O-CB 3.07Å; C234-L238 WeakPolarHBondContact O-CG 3.45Å; C234-L238 PolarHBondContact O-N 2.66Å; K235-L238 WeakPolarHBondContact O-CB 3.43Å; K235-L238 PolarHBondContact O-N 2.93Å; Q236-L238 VanDerWaalsContact C-N 3.31Å; Q236-L238 PolarHBondContact O-N 3.23Å; L238-D240 VanDerWaalsContact C-N 3.31Å; L238-D240 PolarHBondContact O-N 2.8Å; L238-L241 PolarHBondContact O-N 3.24Å; L238-E242 WeakPolarHBondContact O-CB 3.34Å; L238-E242 VanDerWaalsContact O-CG 3.32Å; L238-E242 WeakPolarHBondContact O-CG 3.29Å; L238-E242 PolarHBondContact O-N 3.26Å; L238-V252 HydrophobicContact CD2-CG1 4.01Å; L238-M255 HydrophobicContact CD2-CB 3.39Å; L238-M255 HydrophobicContact CG-CB 3.8Å; L238-L256 HydrophobicContact CD1-CD2 3.97Å; L238-L256 HydrophobicContact CD2-CD2 4.04Å; L238-L256 HydrophobicContact CD2-CG 3.87Å; L238-L259 HydrophobicContact CD1-CD2 3.8Å |
| 239 | E | 91.9 | Very high | 90.7 | Very high | 93 Ų | 93 | 57.5 Ų | 57.5 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 177.5 | -69.8 | 173.9 | -154.8 | 0 | 0 | 112.1 | K235 Q236 E242 K243 | K235-E239 WeakPolarHBondContact O-CG 3.07Å; K235-E239 PolarHBondContact O-N 3.31Å; Q236-E239 PolarHBondContact O-N 2.82Å; E239-E242 PolarHBondContact O-N 2.73Å; E239-K243 VanDerWaalsContact O-CG 3.28Å; E239-K243 WeakPolarHBondContact O-CG 3.39Å; E239-K243 PolarHBondContact O-N 2.93Å |
| 240 | D | 90.3 | Very high | 90.6 | Very high | 73 Ų | 73 | 57.4 Ų | 57.4 | 39% | 0.39 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.1 | -38.1 | 178.3 | -63.8 | -23.7 | 0 | 0 | 0 | 111.8 | Q236 L238 T244 | Q236-D240 PolarHBondContact NE2-OD1 3.2Å; Q236-D240 PolarHBondContact NE2-OD2 3.03Å; Q236-D240 VanDerWaalsContact O-CG 3.22Å; Q236-D240 PolarHBondContact O-N 2.97Å; L238-D240 VanDerWaalsContact C-N 3.31Å; L238-D240 PolarHBondContact O-N 2.8Å; D240-T244 WeakPolarHBondContact O-CB 3.38Å; D240-T244 WeakPolarHBondContact O-CG2 3.49Å; D240-T244 PolarHBondContact O-N 3.42Å; D240-T244 VanDerWaalsContact O-N 3.13Å; D240-T244 PolarHBondContact O-OG1 3.15Å |
| 241 | L | 89.6 | Confident | 90.4 | Very high | 15 Ų | 15 | 57.6 Ų | 57.6 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.1 | -40.9 | 174 | -78.9 | 168.4 | 0 | 0 | 0 | 112.4 | L211 A237 L238 K243 T244 S245 D251 V252 M255 | L211-L241 HydrophobicContact CD1-CD1 4.35Å; L211-L241 HydrophobicContact CD2-CD1 3.87Å; L211-L241 HydrophobicContact CD2-CD2 4.32Å; A237-L241 WeakPolarHBondContact O-CB 3.4Å; A237-L241 WeakPolarHBondContact O-CD1 3.43Å; A237-L241 VanDerWaalsContact O-CG 3.26Å; A237-L241 WeakPolarHBondContact O-CG 3.44Å; A237-L241 PolarHBondContact O-N 3.24Å; L238-L241 PolarHBondContact O-N 3.24Å; L241-K243 VanDerWaalsContact C-N 3.33Å; L241-K243 PolarHBondContact O-N 3.14Å; L241-T244 WeakPolarHBondContact CA-OG1 3.47Å; L241-T244 PolarHBondContact O-N 3.38Å; L241-T244 PolarHBondContact O-OG1 3.39Å; L241-S245 WeakPolarHBondContact O-CB 3.49Å; L241-S245 PolarHBondContact O-N 2.84Å; L241-D251 HydrophobicContact CD1-CB 4.3Å; L241-D251 HydrophobicContact CD2-CB 4.02Å; L241-V252 HydrophobicContact CB-CG2 4.02Å; L241-M255 HydrophobicContact CD1-CB 4.17Å; L241-M255 HydrophobicContact CD1-CG 3.37Å |
| 242 | E | 92 | Very high | 90.4 | Very high | 76 Ų | 76 | 56.7 Ų | 56.7 | 36% | 0.355 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 177.6 | -75.5 | -178 | 176.5 | 0 | 0 | 111.5 | L238 E239 G246 H247 V252 | L238-E242 WeakPolarHBondContact O-CB 3.34Å; L238-E242 VanDerWaalsContact O-CG 3.32Å; L238-E242 WeakPolarHBondContact O-CG 3.29Å; L238-E242 PolarHBondContact O-N 3.26Å; E239-E242 PolarHBondContact O-N 2.73Å; E242-G246 VanDerWaalsContact O-CA 3.23Å; E242-G246 WeakPolarHBondContact O-CA 3.22Å; E242-G246 PolarHBondContact O-N 3.27Å; E242-H247 HydrophobicContact CG-CB 4.35Å; E242-H247 IonicContact OE1-CE1 3.52Å; E242-H247 IonicContact OE1-CG 2.68Å; E242-H247 IonicContact OE1-ND1 3.88Å; E242-H247 PolarHBondContact OE1-ND1 3.33Å; E242-V252 HydrophobicContact CG-CG1 4.23Å; E242-V252 HydrophobicContact CG-CG2 4.13Å |
| 243 | K | 90.9 | Very high | 90.3 | Very high | 158 Ų | 158 | 53.2 Ų | 53.2 | 69% | 0.687 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.3 | -37.9 | 174.9 | -74.6 | 170.6 | -172.2 | 165.1 | 0 | 113.3 | E239 L241 | E239-K243 VanDerWaalsContact O-CG 3.28Å; E239-K243 WeakPolarHBondContact O-CG 3.39Å; E239-K243 PolarHBondContact O-N 2.93Å; L241-K243 VanDerWaalsContact C-N 3.33Å; L241-K243 PolarHBondContact O-N 3.14Å |
| 244 | T | 88.3 | Confident | 90.2 | Very high | 110 Ų | 110 | 51.1 Ų | 51.1 | 68% | 0.675 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -87.4 | -40.8 | -173.8 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | D240 L241 | D240-T244 WeakPolarHBondContact O-CB 3.38Å; D240-T244 WeakPolarHBondContact O-CG2 3.49Å; D240-T244 PolarHBondContact O-N 3.42Å; D240-T244 VanDerWaalsContact O-N 3.13Å; D240-T244 PolarHBondContact O-OG1 3.15Å; L241-T244 WeakPolarHBondContact CA-OG1 3.47Å; L241-T244 PolarHBondContact O-N 3.38Å; L241-T244 PolarHBondContact O-OG1 3.39Å |
| 245 | S | 85.5 | Confident | 90.1 | Very high | 48 Ų | 48 | 51.1 Ų | 51.1 | 34% | 0.336 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -117.6 | -9.9 | -168.8 | -50.9 | 0 | 0 | 0 | 0 | 113.5 | L241 | L241-S245 WeakPolarHBondContact O-CB 3.49Å; L241-S245 PolarHBondContact O-N 2.84Å |
| 246 | G | 89.6 | Confident | 90.2 | Very high | 30 Ų | 30 | 46.8 Ų | 46.8 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | trans | 81.3 | 159.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E242 H249 V252 | E242-G246 VanDerWaalsContact O-CA 3.23Å; E242-G246 WeakPolarHBondContact O-CA 3.22Å; E242-G246 PolarHBondContact O-N 3.27Å; G246-H249 WeakPolarHBondContact O-CB 3.48Å; G246-H249 PolarHBondContact O-N 3.36Å; G246-V252 WeakPolarHBondContact O-CG2 3.41Å | ||
| 247 | H | 90.6 | Very high | 90.1 | Very high | 72 Ų | 72 | 43 Ų | 43 | 33% | 0.333 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -34.9 | -174.6 | -179.1 | 77.8 | 0 | 0 | 0 | 113.6 | E242 H249 V252 D278 I282 | E242-H247 HydrophobicContact CG-CB 4.35Å; E242-H247 IonicContact OE1-CE1 3.52Å; E242-H247 IonicContact OE1-CG 2.68Å; E242-H247 IonicContact OE1-ND1 3.88Å; E242-H247 PolarHBondContact OE1-ND1 3.33Å; H247-H249 PolarHBondContact O-N 3.41Å; H247-V252 WeakPolarHBondContact O-CB 3.42Å; H247-D278 IonicContact CE1-OD1 2.69Å; H247-D278 IonicContact CE1-OD2 2.73Å; H247-D278 PolarHBondContact CE1-OD2 2.82Å; H247-D278 VanDerWaalsContact CE1-OD2 3.31Å; H247-D278 IonicContact NE2-OD1 2.76Å; H247-D278 PolarHBondContact NE2-OD1 3.5Å; H247-D278 IonicContact NE2-OD2 3.13Å; H247-I282 VanDerWaalsContact O-CD1 3.32Å; H247-I282 WeakPolarHBondContact O-CD1 3.26Å |
| 248 | D | 91 | Very high | 90 | Very high | 79 Ų | 79 | 42.7 Ų | 42.7 | 42% | 0.422 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 19.9 | 179.1 | -79.7 | -37.7 | 0 | 0 | 0 | 113.2 | K285 T286 | D248-K285 IonicContact OD1-NZ 3.97Å; D248-K285 PolarHBondContact OD1-NZ 3.27Å; D248-K285 IonicContact OD2-NZ 3.87Å; D248-K285 PolarHBondContact OD2-NZ 3.32Å; D248-T286 WeakPolarHBondContact O-CG2 3.46Å |
| 249 | H | 88.3 | Confident | 90.1 | Very high | 51 Ų | 51 | 42.3 Ų | 42.3 | 24% | 0.236 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -89 | 141.8 | 179.8 | -170.5 | -78.6 | 0 | 0 | 0 | 112.4 | R210 G246 H247 D251 V252 A253 | R210-H249 PolarHBondContact NH2-CE1 3.02Å; R210-H249 VanDerWaalsContact NH2-CE1 3.27Å; G246-H249 WeakPolarHBondContact O-CB 3.48Å; G246-H249 PolarHBondContact O-N 3.36Å; H247-H249 PolarHBondContact O-N 3.41Å; H249-D251 IonicContact CE1-OD1 3.99Å; H249-D251 PolarHBondContact CE1-OD1 2.93Å; H249-D251 VanDerWaalsContact ND1-CB 3.32Å; H249-D251 WeakPolarHBondContact ND1-CB 3.45Å; H249-D251 PolarHBondContact ND1-N 3.24Å; H249-D251 IonicContact ND1-OD1 3.94Å; H249-D251 PolarHBondContact ND1-OD1 3.37Å; H249-D251 PolarHBondContact O-N 3.44Å; H249-D251 VanDerWaalsContact O-N 3.12Å; H249-V252 HydrophobicContact CB-CG2 4.36Å; H249-V252 WeakPolarHBondContact O-CB 3.05Å; H249-V252 PolarHBondContact O-N 3.49Å; H249-A253 PolarHBondContact O-N 3.18Å |
| 250 | P | 87.3 | Confident | 90.1 | Very high | 42 Ų | 42 | 38 Ų | 38 | 27% | 0.273 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -57.5 | -29.3 | -178.9 | 21 | -34.3 | 0 | 0 | 0 | 114.7 | A253 T254 | P250-A253 WeakPolarHBondContact O-CB 3.43Å; P250-A253 PolarHBondContact O-N 3.05Å; P250-T254 PolarHBondContact O-N 3.28Å; P250-T254 PolarHBondContact O-OG1 3.34Å |
| 251 | D | 87.7 | Confident | 90 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.3 | -37.4 | 172.2 | -77.2 | 44.6 | 0 | 0 | 0 | 114.1 | P208 R210 L211 L241 H249 A253 T254 M255 | P208-D251 WeakPolarHBondContact CG-OD1 3.46Å; R210-D251 IonicContact CZ-OD2 2.78Å; R210-D251 IonicContact NE-OD2 3.43Å; R210-D251 PolarHBondContact NE-OD2 3.08Å; R210-D251 IonicContact NH2-OD1 3.53Å; R210-D251 PolarHBondContact NH2-OD1 3.29Å; R210-D251 IonicContact NH2-OD2 2.78Å; R210-D251 PolarHBondContact NH2-OD2 2.97Å; L211-D251 HydrophobicContact CD1-CB 3.78Å; L211-D251 WeakPolarHBondContact CD1-OD2 3.48Å; L241-D251 HydrophobicContact CD1-CB 4.3Å; L241-D251 HydrophobicContact CD2-CB 4.02Å; H249-D251 IonicContact CE1-OD1 3.99Å; H249-D251 PolarHBondContact CE1-OD1 2.93Å; H249-D251 VanDerWaalsContact ND1-CB 3.32Å; H249-D251 WeakPolarHBondContact ND1-CB 3.45Å; H249-D251 PolarHBondContact ND1-N 3.24Å; H249-D251 IonicContact ND1-OD1 3.94Å; H249-D251 PolarHBondContact ND1-OD1 3.37Å; H249-D251 PolarHBondContact O-N 3.44Å; H249-D251 VanDerWaalsContact O-N 3.12Å; D251-A253 VanDerWaalsContact C-N 3.31Å; D251-T254 WeakPolarHBondContact O-CA 3.31Å; D251-T254 WeakPolarHBondContact O-CB 3.33Å; D251-T254 PolarHBondContact O-N 2.87Å; D251-T254 VanDerWaalsContact O-N 3.13Å; D251-M255 PolarHBondContact O-N 3.02Å |
| 252 | V | 90.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 174.2 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | L238 L241 E242 G246 H247 H249 T254 M255 L256 I282 | L238-V252 HydrophobicContact CD2-CG1 4.01Å; L241-V252 HydrophobicContact CB-CG2 4.02Å; E242-V252 HydrophobicContact CG-CG1 4.23Å; E242-V252 HydrophobicContact CG-CG2 4.13Å; G246-V252 WeakPolarHBondContact O-CG2 3.41Å; H247-V252 WeakPolarHBondContact O-CB 3.42Å; H249-V252 HydrophobicContact CB-CG2 4.36Å; H249-V252 WeakPolarHBondContact O-CB 3.05Å; H249-V252 PolarHBondContact O-N 3.49Å; V252-T254 VanDerWaalsContact C-N 3.26Å; V252-T254 PolarHBondContact O-N 2.89Å; V252-M255 PolarHBondContact O-N 3.34Å; V252-M255 VanDerWaalsContact O-N 3.14Å; V252-L256 HydrophobicContact CG1-CD1 3.96Å; V252-L256 HydrophobicContact CG1-CG 4.25Å; V252-L256 WeakPolarHBondContact O-CB 3.49Å; V252-L256 VanDerWaalsContact O-CG 3.29Å; V252-L256 WeakPolarHBondContact O-CG 3.48Å; V252-L256 PolarHBondContact O-N 3.4Å; V252-I282 HydrophobicContact CG1-CD1 4.11Å |
| 253 | A | 91.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -33.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H249 P250 D251 N257 A279 I282 R283 | H249-A253 PolarHBondContact O-N 3.18Å; P250-A253 WeakPolarHBondContact O-CB 3.43Å; P250-A253 PolarHBondContact O-N 3.05Å; D251-A253 VanDerWaalsContact C-N 3.31Å; A253-N257 WeakPolarHBondContact O-CB 3.45Å; A253-N257 PolarHBondContact O-N 2.86Å; A253-N257 VanDerWaalsContact O-N 3.11Å; A253-A279 HydrophobicContact CB-CB 4.18Å; A253-I282 HydrophobicContact CB-CB 4.04Å; A253-I282 HydrophobicContact CB-CG2 3.87Å; A253-R283 HydrophobicContact CB-CG 3.78Å; A253-R283 PolarHBondContact O-NH2 3.07Å |
| 254 | T | 89.1 | Confident | 90.1 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.1 | -53.7 | 172 | -52.9 | 0 | 0 | 0 | 0 | 110.9 | Y205 I207 L211 P250 D251 V252 N257 I258 | Y205-T254 HydrophobicContact CE1-CG2 3.51Å; Y205-T254 WeakPolarHBondContact OH-CA 3.37Å; Y205-T254 WeakPolarHBondContact OH-CB 3.14Å; Y205-T254 PolarHBondContact OH-OG1 3.4Å; I207-T254 HydrophobicContact CG2-CG2 4.25Å; L211-T254 HydrophobicContact CD1-CG2 4.01Å; P250-T254 PolarHBondContact O-N 3.28Å; P250-T254 PolarHBondContact O-OG1 3.34Å; D251-T254 WeakPolarHBondContact O-CA 3.31Å; D251-T254 WeakPolarHBondContact O-CB 3.33Å; D251-T254 PolarHBondContact O-N 2.87Å; D251-T254 VanDerWaalsContact O-N 3.13Å; V252-T254 VanDerWaalsContact C-N 3.26Å; V252-T254 PolarHBondContact O-N 2.89Å; T254-N257 PolarHBondContact O-N 3.1Å; T254-I258 HydrophobicContact CG2-CD1 3.89Å; T254-I258 VanDerWaalsContact O-CG1 3.31Å; T254-I258 WeakPolarHBondContact O-CG1 3.47Å; T254-I258 PolarHBondContact O-N 2.89Å |
| 255 | M | 90.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.4 | -37.1 | -176.1 | -74.4 | -54.4 | -58.6 | 0 | 0 | 112.6 | L211 L214 C234 A237 L238 L241 D251 V252 N257 I258 L259 | L211-M255 HydrophobicContact CD1-CG 4.01Å; L211-M255 HydrophobicContact CD1-SD 4.3Å; L211-M255 HydrophobicContact CD2-CG 4.23Å; L211-M255 HydrophobicContact CD2-SD 4.18Å; L214-M255 HydrophobicContact CD2-CE 3.55Å; L214-M255 HydrophobicContact CD2-SD 3.88Å; L214-M255 HydrophobicContact CG-CE 4.4Å; C234-M255 HydrophobicContact CB-CE 4.46Å; A237-M255 HydrophobicContact CB-CE 3.93Å; L238-M255 HydrophobicContact CD2-CB 3.39Å; L238-M255 HydrophobicContact CG-CB 3.8Å; L241-M255 HydrophobicContact CD1-CB 4.17Å; L241-M255 HydrophobicContact CD1-CG 3.37Å; D251-M255 PolarHBondContact O-N 3.02Å; V252-M255 PolarHBondContact O-N 3.34Å; V252-M255 VanDerWaalsContact O-N 3.14Å; M255-N257 VanDerWaalsContact C-N 3.34Å; M255-N257 PolarHBondContact O-N 2.68Å; M255-I258 PolarHBondContact O-N 3.47Å; M255-I258 HydrophobicContact SD-CD1 3.71Å; M255-L259 PolarHBondContact O-N 3.05Å |
| 256 | L | 93.6 | Very high | 90.4 | Very high | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 172.2 | -73.4 | 172.1 | 0 | 0 | 0 | 111.2 | L238 V252 I258 L259 A260 L275 D278 A279 I282 | L238-L256 HydrophobicContact CD1-CD2 3.97Å; L238-L256 HydrophobicContact CD2-CD2 4.04Å; L238-L256 HydrophobicContact CD2-CG 3.87Å; V252-L256 HydrophobicContact CG1-CD1 3.96Å; V252-L256 HydrophobicContact CG1-CG 4.25Å; V252-L256 WeakPolarHBondContact O-CB 3.49Å; V252-L256 VanDerWaalsContact O-CG 3.29Å; V252-L256 WeakPolarHBondContact O-CG 3.48Å; V252-L256 PolarHBondContact O-N 3.4Å; L256-I258 VanDerWaalsContact C-N 3.34Å; L256-I258 PolarHBondContact O-N 3.06Å; L256-L259 PolarHBondContact O-N 3.16Å; L256-A260 WeakPolarHBondContact O-CB 3.32Å; L256-A260 PolarHBondContact O-N 3.37Å; L256-L275 HydrophobicContact CD2-CD2 3.63Å; L256-D278 HydrophobicContact CD1-CB 4.19Å; L256-A279 HydrophobicContact CB-CB 3.93Å; L256-A279 HydrophobicContact CD1-CB 4.35Å; L256-I282 HydrophobicContact CD1-CD1 3.7Å |
| 257 | N | 90.8 | Very high | 90.5 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 8% | 0.08 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64 | -38.5 | 175.8 | 179.3 | 83.4 | 0 | 0 | 0 | 111.9 | A253 T254 M255 A260 L261 L276 N300 | A253-N257 WeakPolarHBondContact O-CB 3.45Å; A253-N257 PolarHBondContact O-N 2.86Å; A253-N257 VanDerWaalsContact O-N 3.11Å; T254-N257 PolarHBondContact O-N 3.1Å; M255-N257 VanDerWaalsContact C-N 3.34Å; M255-N257 PolarHBondContact O-N 2.68Å; N257-A260 PolarHBondContact O-N 3Å; N257-L261 WeakPolarHBondContact O-CG 3.37Å; N257-L261 PolarHBondContact O-N 2.91Å; N257-L261 VanDerWaalsContact O-N 3.13Å; N257-L276 HydrophobicContact CB-CD2 4.05Å; N257-L276 WeakPolarHBondContact OD1-CD2 3.36Å; N257-N300 PolarHBondContact OD1-ND2 3.24Å |
| 258 | I | 89.5 | Confident | 90.6 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.8 | -49.3 | 175.4 | -66 | 163.5 | 0 | 0 | 0 | 110.7 | H215 V218 T254 M255 L256 A260 L261 V262 | H215-I258 HydrophobicContact CB-CD1 3.98Å; H215-I258 WeakPolarHBondContact ND1-CD1 3.45Å; H215-I258 VanDerWaalsContact ND1-CG1 3.29Å; H215-I258 WeakPolarHBondContact ND1-CG1 3.44Å; V218-I258 HydrophobicContact CB-CG2 4.28Å; V218-I258 HydrophobicContact CG1-CG2 3.65Å; T254-I258 HydrophobicContact CG2-CD1 3.89Å; T254-I258 VanDerWaalsContact O-CG1 3.31Å; T254-I258 WeakPolarHBondContact O-CG1 3.47Å; T254-I258 PolarHBondContact O-N 2.89Å; M255-I258 PolarHBondContact O-N 3.47Å; M255-I258 HydrophobicContact SD-CD1 3.71Å; L256-I258 VanDerWaalsContact C-N 3.34Å; L256-I258 PolarHBondContact O-N 3.06Å; I258-A260 VanDerWaalsContact C-N 3.27Å; I258-A260 PolarHBondContact O-N 2.96Å; I258-L261 WeakPolarHBondContact O-CB 3.4Å; I258-L261 PolarHBondContact O-N 3.4Å; I258-L261 VanDerWaalsContact O-N 3.13Å; I258-V262 PolarHBondContact O-N 3.13Å; I258-V262 VanDerWaalsContact O-N 3.15Å |
| 259 | L | 92.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.4 | -37.5 | 177.7 | -179.9 | 59.3 | 0 | 0 | 0 | 111.8 | V231 C234 K235 L238 M255 L256 L261 V262 Y263 L275 | V231-L259 HydrophobicContact CG1-CD1 4.23Å; V231-L259 HydrophobicContact CG2-CD1 4.35Å; C234-L259 HydrophobicContact CB-CB 4.16Å; C234-L259 HydrophobicContact CB-CD1 3.82Å; C234-L259 HydrophobicContact CB-CG 4.39Å; K235-L259 HydrophobicContact CG-CD2 4.32Å; L238-L259 HydrophobicContact CD1-CD2 3.8Å; M255-L259 PolarHBondContact O-N 3.05Å; L256-L259 PolarHBondContact O-N 3.16Å; L259-L261 VanDerWaalsContact C-N 3.32Å; L259-L261 PolarHBondContact O-N 3.09Å; L259-V262 WeakPolarHBondContact O-CB 3.44Å; L259-V262 PolarHBondContact O-N 3.08Å; L259-Y263 HydrophobicContact CD1-CE1 4.25Å; L259-Y263 HydrophobicContact CD1-CE2 4.16Å; L259-Y263 HydrophobicContact CD2-CE2 4.27Å; L259-Y263 HydrophobicContact CG-CD2 4.32Å; L259-Y263 HydrophobicContact CG-CE2 4.02Å; L259-Y263 PolarHBondContact O-N 3.28Å; L259-L275 HydrophobicContact CB-CD1 4.04Å; L259-L275 HydrophobicContact CD2-CD1 3.71Å; L259-L275 HydrophobicContact CD2-CD2 4.36Å; L259-L275 HydrophobicContact CG-CD1 3.56Å |
| 260 | A | 92.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.5 | -37.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L256 N257 I258 Y263 R264 A272 L275 L276 | L256-A260 WeakPolarHBondContact O-CB 3.32Å; L256-A260 PolarHBondContact O-N 3.37Å; N257-A260 PolarHBondContact O-N 3Å; I258-A260 VanDerWaalsContact C-N 3.27Å; I258-A260 PolarHBondContact O-N 2.96Å; A260-Y263 PolarHBondContact O-N 3.34Å; A260-R264 WeakPolarHBondContact O-CB 3.42Å; A260-R264 PolarHBondContact O-N 3.29Å; A260-A272 HydrophobicContact CB-CB 4.33Å; A260-A272 WeakPolarHBondContact O-CB 3.46Å; A260-L275 HydrophobicContact CB-CB 4.02Å; A260-L275 HydrophobicContact CB-CD1 4.35Å; A260-L276 HydrophobicContact CB-CD1 4.47Å; A260-L276 HydrophobicContact CB-CD2 3.66Å; A260-L276 HydrophobicContact CB-CG 3.64Å |
| 261 | L | 89.1 | Confident | 90.9 | Very high | 49 Ų | 49 | 37.9 Ų | 37.9 | 26% | 0.257 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 173.7 | -66.9 | 173.2 | 0 | 0 | 0 | 111.3 | N257 I258 L259 Y263 R264 D265 | N257-L261 WeakPolarHBondContact O-CG 3.37Å; N257-L261 PolarHBondContact O-N 2.91Å; N257-L261 VanDerWaalsContact O-N 3.13Å; I258-L261 WeakPolarHBondContact O-CB 3.4Å; I258-L261 PolarHBondContact O-N 3.4Å; I258-L261 VanDerWaalsContact O-N 3.13Å; L259-L261 VanDerWaalsContact C-N 3.32Å; L259-L261 PolarHBondContact O-N 3.09Å; L261-Y263 VanDerWaalsContact C-N 3.31Å; L261-Y263 PolarHBondContact O-N 3.47Å; L261-R264 VanDerWaalsContact CD2-NH1 3.3Å; L261-R264 WeakPolarHBondContact O-CB 3.3Å; L261-R264 PolarHBondContact O-N 3.47Å; L261-D265 VanDerWaalsContact O-CG 3.26Å; L261-D265 PolarHBondContact O-N 3.42Å |
| 262 | V | 91.1 | Very high | 91.2 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.03 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | 175.3 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | V218 A222 Y227 A230 V231 I258 L259 D265 Q266 | V218-V262 HydrophobicContact CG1-CG2 3.69Å; A222-V262 HydrophobicContact CB-CG2 4.19Å; Y227-V262 HydrophobicContact CD1-CG1 3.83Å; Y227-V262 HydrophobicContact CE1-CG1 4.33Å; A230-V262 HydrophobicContact CB-CG1 4.28Å; V231-V262 HydrophobicContact CG2-CG1 3.75Å; I258-V262 PolarHBondContact O-N 3.13Å; I258-V262 VanDerWaalsContact O-N 3.15Å; L259-V262 WeakPolarHBondContact O-CB 3.44Å; L259-V262 PolarHBondContact O-N 3.08Å; V262-D265 PolarHBondContact O-N 3.37Å; V262-Q266 WeakPolarHBondContact O-CG 3.22Å; V262-Q266 PolarHBondContact O-N 3.45Å |
| 263 | Y | 93.1 | Very high | 91.3 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 9% | 0.094 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.9 | -34.5 | 174.5 | -76.3 | -21.2 | 0 | 0 | 0 | 113.8 | V231 K235 L259 A260 L261 D265 Q266 N267 K268 E271 L275 | V231-Y263 HydrophobicContact CG1-CE1 3.89Å; V231-Y263 WeakPolarHBondContact CG1-OH 3.34Å; V231-Y263 HydrophobicContact CG2-CD1 4.3Å; V231-Y263 HydrophobicContact CG2-CE1 3.77Å; K235-Y263 WeakPolarHBondContact CE-OH 3.34Å; L259-Y263 HydrophobicContact CD1-CE1 4.25Å; L259-Y263 HydrophobicContact CD1-CE2 4.16Å; L259-Y263 HydrophobicContact CD2-CE2 4.27Å; L259-Y263 HydrophobicContact CG-CD2 4.32Å; L259-Y263 HydrophobicContact CG-CE2 4.02Å; L259-Y263 PolarHBondContact O-N 3.28Å; A260-Y263 PolarHBondContact O-N 3.34Å; L261-Y263 VanDerWaalsContact C-N 3.31Å; L261-Y263 PolarHBondContact O-N 3.47Å; Y263-D265 VanDerWaalsContact C-N 3.29Å; Y263-D265 PolarHBondContact O-N 3.15Å; Y263-Q266 CarbonylContact O-C 3.55Å; Y263-Q266 PolarHBondContact O-N 2.99Å; Y263-N267 PolarHBondContact O-N 3.01Å; Y263-K268 HydrophobicContact CD1-CD 4.08Å; Y263-K268 HydrophobicContact CE1-CD 4.42Å; Y263-K268 HydrophobicContact CG-CB 4.39Å; Y263-K268 PolarHBondContact O-N 2.94Å; Y263-E271 HydrophobicContact CD2-CB 3.79Å; Y263-E271 HydrophobicContact CE2-CB 4.12Å; Y263-E271 HydrophobicContact CG-CB 4.44Å; Y263-L275 HydrophobicContact CD2-CD1 3.52Å; Y263-L275 HydrophobicContact CE2-CD1 3.67Å |
| 264 | R | 90.4 | Very high | 91.4 | Very high | 86 Ų | 86 | 44.9 Ų | 44.9 | 33% | 0.325 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.4 | -44.9 | 171.2 | -179.2 | -162.6 | 68.7 | -169.7 | -4.1 | 110.8 | A260 L261 Q266 N267 Y269 L304 | A260-R264 WeakPolarHBondContact O-CB 3.42Å; A260-R264 PolarHBondContact O-N 3.29Å; L261-R264 VanDerWaalsContact CD2-NH1 3.3Å; L261-R264 WeakPolarHBondContact O-CB 3.3Å; L261-R264 PolarHBondContact O-N 3.47Å; R264-Q266 PolarHBondContact O-N 3.36Å; R264-N267 WeakPolarHBondContact O-CA 3.41Å; R264-N267 PolarHBondContact O-N 3.16Å; R264-Y269 HydrophobicContact CG-CD1 4.43Å; R264-Y269 HydrophobicContact CG-CE1 4.03Å; R264-L304 HydrophobicContact CB-CD2 3.91Å; R264-L304 HydrophobicContact CG-CD2 3.67Å |
| 265 | D | 89.4 | Confident | 91.7 | Very high | 68 Ų | 68 | 46.1 Ų | 46.1 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -69.9 | -24.2 | -178.1 | -61.1 | -9.2 | 0 | 0 | 0 | 111.8 | Y227 L261 V262 Y263 N267 | Y227-D265 HydrophobicContact CE1-CB 4.26Å; L261-D265 VanDerWaalsContact O-CG 3.26Å; L261-D265 PolarHBondContact O-N 3.42Å; V262-D265 PolarHBondContact O-N 3.37Å; Y263-D265 VanDerWaalsContact C-N 3.29Å; Y263-D265 PolarHBondContact O-N 3.15Å; D265-N267 VanDerWaalsContact C-N 3.3Å |
| 266 | Q | 90.3 | Very high | 91.9 | Very high | 40 Ų | 40 | 46.3 Ų | 46.3 | 19% | 0.187 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 0.8 | 167.7 | -70.5 | 172.9 | 46.2 | 0 | 0 | 114.5 | Y227 V231 V262 Y263 R264 K268 | Y227-Q266 HydrophobicContact CD1-CG 3.81Å; Y227-Q266 HydrophobicContact CD2-CG 3.69Å; Y227-Q266 HydrophobicContact CE1-CG 4.08Å; Y227-Q266 HydrophobicContact CE2-CG 3.96Å; Y227-Q266 HydrophobicContact CG-CG 3.6Å; V231-Q266 VanDerWaalsContact CG2-NE2 3.31Å; V262-Q266 WeakPolarHBondContact O-CG 3.22Å; V262-Q266 PolarHBondContact O-N 3.45Å; Y263-Q266 CarbonylContact O-C 3.55Å; Y263-Q266 PolarHBondContact O-N 2.99Å; R264-Q266 PolarHBondContact O-N 3.36Å; Q266-K268 HydrophobicContact CB-CD 4.3Å; Q266-K268 HydrophobicContact CB-CG 4.22Å; Q266-K268 PolarHBondContact O-N 2.89Å |
| 267 | N | 91.3 | Very high | 92 | Very high | 108 Ų | 108 | 49 Ų | 49 | 58% | 0.578 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 18.1 | -171.6 | -53 | -75.2 | 0 | 0 | 0 | 115 | Y263 R264 D265 Y269 | Y263-N267 PolarHBondContact O-N 3.01Å; R264-N267 WeakPolarHBondContact O-CA 3.41Å; R264-N267 PolarHBondContact O-N 3.16Å; D265-N267 VanDerWaalsContact C-N 3.3Å; N267-Y269 HydrophobicContact CB-CD2 4.47Å; N267-Y269 HydrophobicContact CB-CE2 3.8Å; N267-Y269 VanDerWaalsContact O-CD2 3.27Å; N267-Y269 WeakPolarHBondContact O-CD2 3.39Å; N267-Y269 PolarHBondContact O-N 3.47Å; N267-Y269 PolarHBondContact OD1-OH 3.11Å |
| 268 | K | 92.5 | Very high | 92.2 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 38% | 0.378 | 24% | 0.24 | S | C | . | . | trans | -83.5 | 64.2 | 173.8 | -71.2 | 178.5 | -177.8 | 163.4 | 0 | 110.6 | Y263 Q266 K270 E271 A272 | Y263-K268 HydrophobicContact CD1-CD 4.08Å; Y263-K268 HydrophobicContact CE1-CD 4.42Å; Y263-K268 HydrophobicContact CG-CB 4.39Å; Y263-K268 PolarHBondContact O-N 2.94Å; Q266-K268 HydrophobicContact CB-CD 4.3Å; Q266-K268 HydrophobicContact CB-CG 4.22Å; Q266-K268 PolarHBondContact O-N 2.89Å; K268-K270 VanDerWaalsContact C-N 3.3Å; K268-K270 PolarHBondContact O-N 2.95Å; K268-E271 HydrophobicContact CB-CB 4.45Å; K268-E271 WeakPolarHBondContact CB-OE2 3.48Å; K268-E271 PolarHBondContact O-N 2.88Å; K268-A272 WeakPolarHBondContact O-CB 3.27Å; K268-A272 PolarHBondContact O-N 3.17Å | ||
| 269 | Y | 91.2 | Very high | 92.4 | Very high | 55 Ų | 55 | 50.6 Ų | 50.6 | 22% | 0.216 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.4 | -22.6 | -170.5 | -58.8 | -65.3 | 0 | 0 | 0 | 114.2 | R264 N267 A273 L304 K307 R308 | R264-Y269 HydrophobicContact CG-CD1 4.43Å; R264-Y269 HydrophobicContact CG-CE1 4.03Å; N267-Y269 HydrophobicContact CB-CD2 4.47Å; N267-Y269 HydrophobicContact CB-CE2 3.8Å; N267-Y269 VanDerWaalsContact O-CD2 3.27Å; N267-Y269 WeakPolarHBondContact O-CD2 3.39Å; N267-Y269 PolarHBondContact O-N 3.47Å; N267-Y269 PolarHBondContact OD1-OH 3.11Å; Y269-A273 WeakPolarHBondContact O-CB 3.43Å; Y269-A273 PolarHBondContact O-N 3Å; Y269-L304 HydrophobicContact CD1-CD2 3.9Å; Y269-K307 HydrophobicContact CD1-CB 4.42Å; Y269-K307 HydrophobicContact CE1-CB 4.07Å; Y269-K307 HydrophobicContact CE1-CG 4.46Å; Y269-R308 HydrophobicContact CD2-CG 4.47Å; Y269-R308 HydrophobicContact CG-CG 4.21Å |
| 270 | K | 90.7 | Very high | 92.5 | Very high | 142 Ų | 142 | 51 Ų | 51 | 62% | 0.617 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -74.4 | -46.7 | 178.6 | -69.7 | -179.1 | -179.2 | 178 | 0 | 110.4 | K268 A273 H274 | K268-K270 VanDerWaalsContact C-N 3.3Å; K268-K270 PolarHBondContact O-N 2.95Å; K270-A273 PolarHBondContact O-N 3.34Å; K270-H274 PolarHBondContact O-N 3.19Å |
| 271 | E | 92 | Very high | 92.6 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 41% | 0.411 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 177.9 | -59.9 | 89.4 | 152.5 | 0 | 0 | 110.3 | Y263 K268 A273 H274 L275 | Y263-E271 HydrophobicContact CD2-CB 3.79Å; Y263-E271 HydrophobicContact CE2-CB 4.12Å; Y263-E271 HydrophobicContact CG-CB 4.44Å; K268-E271 HydrophobicContact CB-CB 4.45Å; K268-E271 WeakPolarHBondContact CB-OE2 3.48Å; K268-E271 PolarHBondContact O-N 2.88Å; E271-A273 VanDerWaalsContact C-N 3.3Å; E271-A273 PolarHBondContact O-N 3.32Å; E271-H274 PolarHBondContact O-N 3.12Å; E271-L275 WeakPolarHBondContact O-CG 3.39Å; E271-L275 PolarHBondContact O-N 3.42Å |
| 272 | A | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.2 | -40.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A260 K268 L275 L276 L304 | A260-A272 HydrophobicContact CB-CB 4.33Å; A260-A272 WeakPolarHBondContact O-CB 3.46Å; K268-A272 WeakPolarHBondContact O-CB 3.27Å; K268-A272 PolarHBondContact O-N 3.17Å; A272-L275 PolarHBondContact O-N 3.24Å; A272-L276 WeakPolarHBondContact O-CG 3.42Å; A272-L276 PolarHBondContact O-N 3.37Å; A272-L304 HydrophobicContact CB-CD1 3.68Å; A272-L304 HydrophobicContact CB-CD2 4.15Å |
| 273 | A | 92.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.3 | -37.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y269 K270 E271 L276 N277 L301 L304 | Y269-A273 WeakPolarHBondContact O-CB 3.43Å; Y269-A273 PolarHBondContact O-N 3Å; K270-A273 PolarHBondContact O-N 3.34Å; E271-A273 VanDerWaalsContact C-N 3.3Å; E271-A273 PolarHBondContact O-N 3.32Å; A273-L276 PolarHBondContact O-N 3.06Å; A273-N277 WeakPolarHBondContact O-CB 3.4Å; A273-N277 PolarHBondContact O-N 3.21Å; A273-N277 PolarHBondContact O-ND2 3.02Å; A273-L301 HydrophobicContact CB-CD2 4.49Å; A273-L304 HydrophobicContact CB-CD1 4.38Å |
| 274 | H | 94.2 | Very high | 93 | Very high | 149 Ų | 149 | 52.1 Ų | 52.1 | 69% | 0.69 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -60.8 | -49.6 | 173.6 | -100 | -71.1 | 0 | 0 | 0 | 111.6 | K270 E271 L276 N277 D278 | K270-H274 PolarHBondContact O-N 3.19Å; E271-H274 PolarHBondContact O-N 3.12Å; H274-L276 VanDerWaalsContact C-N 3.33Å; H274-L276 PolarHBondContact O-N 3.05Å; H274-N277 PolarHBondContact O-N 3.33Å; H274-D278 PolarHBondContact O-N 2.89Å |
| 275 | L | 95 | Very high | 93.1 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 16% | 0.162 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 179.5 | -65.3 | 175.4 | 0 | 0 | 0 | 112.9 | L256 L259 A260 Y263 E271 A272 D278 A279 | L256-L275 HydrophobicContact CD2-CD2 3.63Å; L259-L275 HydrophobicContact CB-CD1 4.04Å; L259-L275 HydrophobicContact CD2-CD1 3.71Å; L259-L275 HydrophobicContact CD2-CD2 4.36Å; L259-L275 HydrophobicContact CG-CD1 3.56Å; A260-L275 HydrophobicContact CB-CB 4.02Å; A260-L275 HydrophobicContact CB-CD1 4.35Å; Y263-L275 HydrophobicContact CD2-CD1 3.52Å; Y263-L275 HydrophobicContact CE2-CD1 3.67Å; E271-L275 WeakPolarHBondContact O-CG 3.39Å; E271-L275 PolarHBondContact O-N 3.42Å; A272-L275 PolarHBondContact O-N 3.24Å; L275-D278 PolarHBondContact O-N 3.37Å; L275-A279 WeakPolarHBondContact O-CB 3.31Å; L275-A279 PolarHBondContact O-N 2.75Å |
| 276 | L | 94.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.9 | -30.9 | 177.2 | -71.8 | -173.1 | 0 | 0 | 0 | 113.4 | N257 A260 A272 A273 H274 D278 L280 T297 N300 L301 L304 | N257-L276 HydrophobicContact CB-CD2 4.05Å; N257-L276 WeakPolarHBondContact OD1-CD2 3.36Å; A260-L276 HydrophobicContact CB-CD1 4.47Å; A260-L276 HydrophobicContact CB-CD2 3.66Å; A260-L276 HydrophobicContact CB-CG 3.64Å; A272-L276 WeakPolarHBondContact O-CG 3.42Å; A272-L276 PolarHBondContact O-N 3.37Å; A273-L276 PolarHBondContact O-N 3.06Å; H274-L276 VanDerWaalsContact C-N 3.33Å; H274-L276 PolarHBondContact O-N 3.05Å; L276-D278 VanDerWaalsContact C-N 3.3Å; L276-L280 VanDerWaalsContact O-CB 3.25Å; L276-L280 WeakPolarHBondContact O-CB 3.3Å; L276-L280 PolarHBondContact O-N 2.96Å; L276-T297 HydrophobicContact CB-CG2 4.33Å; L276-T297 HydrophobicContact CD2-CG2 4.34Å; L276-T297 VanDerWaalsContact O-CG2 3.31Å; L276-T297 WeakPolarHBondContact O-CG2 3.47Å; L276-N300 HydrophobicContact CD1-CB 3.6Å; L276-L301 HydrophobicContact CB-CD1 4.24Å; L276-L301 HydrophobicContact CB-CD2 3.43Å; L276-L301 VanDerWaalsContact CB-CD2 3.43Å; L276-L301 HydrophobicContact CB-CG 3.6Å; L276-L301 HydrophobicContact CD1-CD2 4.2Å; L276-L301 HydrophobicContact CD1-CG 4.08Å; L276-L301 HydrophobicContact CG-CD2 4.45Å; L276-L304 HydrophobicContact CD1-CD1 3.5Å; L276-L304 HydrophobicContact CD1-CG 4.32Å; L276-L304 HydrophobicContact CG-CD1 4.27Å |
| 277 | N | 95 | Very high | 93.1 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 172.1 | -82 | -59.9 | 0 | 0 | 0 | 110.8 | A273 H274 L280 S281 Y305 | A273-N277 WeakPolarHBondContact O-CB 3.4Å; A273-N277 PolarHBondContact O-N 3.21Å; A273-N277 PolarHBondContact O-ND2 3.02Å; H274-N277 PolarHBondContact O-N 3.33Å; N277-L280 WeakPolarHBondContact O-CB 3.31Å; N277-L280 PolarHBondContact O-N 3.35Å; N277-S281 PolarHBondContact O-N 3.45Å; N277-Y305 PolarHBondContact ND2-OH 2.84Å |
| 278 | D | 94.9 | Very high | 93 | Very high | 55 Ų | 55 | 51.5 Ų | 51.5 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.3 | -49.2 | 175 | -163.7 | 26.5 | 0 | 0 | 0 | 111.5 | H247 L256 H274 L275 L276 L280 S281 I282 | H247-D278 IonicContact CE1-OD1 2.69Å; H247-D278 IonicContact CE1-OD2 2.73Å; H247-D278 PolarHBondContact CE1-OD2 2.82Å; H247-D278 VanDerWaalsContact CE1-OD2 3.31Å; H247-D278 IonicContact NE2-OD1 2.76Å; H247-D278 PolarHBondContact NE2-OD1 3.5Å; H247-D278 IonicContact NE2-OD2 3.13Å; L256-D278 HydrophobicContact CD1-CB 4.19Å; H274-D278 PolarHBondContact O-N 2.89Å; L275-D278 PolarHBondContact O-N 3.37Å; L276-D278 VanDerWaalsContact C-N 3.3Å; D278-L280 PolarHBondContact O-N 2.94Å; D278-S281 WeakPolarHBondContact O-CB 3.5Å; D278-S281 PolarHBondContact O-N 3.35Å; D278-S281 VanDerWaalsContact O-N 3.12Å; D278-I282 WeakPolarHBondContact O-CG1 3.42Å; D278-I282 PolarHBondContact O-N 3.34Å |
| 279 | A | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.1 | -32.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A253 L256 L275 R283 | A253-A279 HydrophobicContact CB-CB 4.18Å; L256-A279 HydrophobicContact CB-CB 3.93Å; L256-A279 HydrophobicContact CD1-CB 4.35Å; L275-A279 WeakPolarHBondContact O-CB 3.31Å; L275-A279 PolarHBondContact O-N 2.75Å; A279-R283 WeakPolarHBondContact O-CB 3.38Å; A279-R283 VanDerWaalsContact O-CG 3.24Å; A279-R283 WeakPolarHBondContact O-CG 3.48Å; A279-R283 PolarHBondContact O-N 3.47Å |
| 280 | L | 94.4 | Very high | 92.9 | Very high | 14 Ų | 14 | 55.2 Ų | 55.2 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.8 | -48.3 | 175.2 | -179.3 | 68.4 | 0 | 0 | 0 | 110.6 | L276 N277 D278 I282 R283 E284 V294 T297 L298 L301 | L276-L280 VanDerWaalsContact O-CB 3.25Å; L276-L280 WeakPolarHBondContact O-CB 3.3Å; L276-L280 PolarHBondContact O-N 2.96Å; N277-L280 WeakPolarHBondContact O-CB 3.31Å; N277-L280 PolarHBondContact O-N 3.35Å; D278-L280 PolarHBondContact O-N 2.94Å; L280-I282 VanDerWaalsContact C-N 3.34Å; L280-I282 PolarHBondContact O-N 2.9Å; L280-R283 PolarHBondContact O-N 3.43Å; L280-E284 HydrophobicContact CD1-CG 4.35Å; L280-E284 HydrophobicContact CG-CG 4.44Å; L280-E284 WeakPolarHBondContact O-CB 3.36Å; L280-E284 WeakPolarHBondContact O-CG 3.45Å; L280-E284 PolarHBondContact O-N 3.45Å; L280-V294 HydrophobicContact CD1-CG1 3.75Å; L280-T297 HydrophobicContact CB-CG2 3.82Å; L280-T297 HydrophobicContact CD1-CG2 4.23Å; L280-L298 HydrophobicContact CD1-CD2 3.94Å; L280-L298 HydrophobicContact CD1-CG 3.84Å; L280-L298 HydrophobicContact CD2-CD2 3.72Å; L280-L301 HydrophobicContact CB-CD1 4.38Å; L280-L301 HydrophobicContact CD2-CD1 3.93Å |
| 281 | S | 95.3 | Very high | 92.8 | Very high | 50 Ų | 50 | 51.9 Ų | 51.9 | 35% | 0.35 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56 | -48.4 | 177.5 | -178 | 0 | 0 | 0 | 0 | 111.4 | N277 D278 R283 E284 K285 | N277-S281 PolarHBondContact O-N 3.45Å; D278-S281 WeakPolarHBondContact O-CB 3.5Å; D278-S281 PolarHBondContact O-N 3.35Å; D278-S281 VanDerWaalsContact O-N 3.12Å; S281-R283 PolarHBondContact O-N 3.46Å; S281-E284 PolarHBondContact O-N 3.34Å; S281-K285 WeakPolarHBondContact O-CG 3.45Å; S281-K285 PolarHBondContact O-N 3.12Å; S281-K285 VanDerWaalsContact O-N 3.1Å |
| 282 | I | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 177.7 | -63 | 162.5 | 0 | 0 | 0 | 110.8 | H247 V252 A253 L256 D278 L280 E284 K285 T286 | H247-I282 VanDerWaalsContact O-CD1 3.32Å; H247-I282 WeakPolarHBondContact O-CD1 3.26Å; V252-I282 HydrophobicContact CG1-CD1 4.11Å; A253-I282 HydrophobicContact CB-CB 4.04Å; A253-I282 HydrophobicContact CB-CG2 3.87Å; L256-I282 HydrophobicContact CD1-CD1 3.7Å; D278-I282 WeakPolarHBondContact O-CG1 3.42Å; D278-I282 PolarHBondContact O-N 3.34Å; L280-I282 VanDerWaalsContact C-N 3.34Å; L280-I282 PolarHBondContact O-N 2.9Å; I282-E284 PolarHBondContact O-N 3Å; I282-K285 PolarHBondContact O-N 3.1Å; I282-T286 HydrophobicContact CG2-CG2 4.23Å; I282-T286 WeakPolarHBondContact O-CB 3.17Å; I282-T286 WeakPolarHBondContact O-CG2 3.4Å; I282-T286 PolarHBondContact O-N 2.96Å; I282-T286 PolarHBondContact O-OG1 3.49Å |
| 283 | R | 93.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.2 | -36.7 | -180 | -75.9 | 172.5 | -177.1 | -173.8 | 4.8 | 112.9 | Y205 A253 A279 L280 S281 T286 L287 A293 V294 T297 | Y205-R283 PolarHBondContact OH-NH2 3.01Å; A253-R283 HydrophobicContact CB-CG 3.78Å; A253-R283 PolarHBondContact O-NH2 3.07Å; A279-R283 WeakPolarHBondContact O-CB 3.38Å; A279-R283 VanDerWaalsContact O-CG 3.24Å; A279-R283 WeakPolarHBondContact O-CG 3.48Å; A279-R283 PolarHBondContact O-N 3.47Å; L280-R283 PolarHBondContact O-N 3.43Å; S281-R283 PolarHBondContact O-N 3.46Å; R283-T286 WeakPolarHBondContact CA-OG1 3.17Å; R283-L287 HydrophobicContact CB-CD1 4.4Å; R283-L287 HydrophobicContact CG-CD1 4.2Å; R283-L287 WeakPolarHBondContact O-CA 3.38Å; R283-L287 WeakPolarHBondContact O-CB 3.47Å; R283-L287 PolarHBondContact O-N 2.99Å; R283-A293 PolarHBondContact NH1-O 2.67Å; R283-A293 VanDerWaalsContact NH1-O 3.13Å; R283-V294 HydrophobicContact CB-CG2 3.91Å; R283-T297 VanDerWaalsContact CD-OG1 3.23Å; R283-T297 WeakPolarHBondContact CD-OG1 3.48Å; R283-T297 PolarHBondContact NH1-OG1 3.36Å |
| 284 | E | 93.7 | Very high | 92.3 | Very high | 50 Ų | 50 | 50.8 Ų | 50.8 | 23% | 0.234 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.5 | -40 | 176.5 | -75.2 | -178.6 | 172.5 | 0 | 0 | 112.2 | L280 S281 I282 G288 V294 R320 | L280-E284 HydrophobicContact CD1-CG 4.35Å; L280-E284 HydrophobicContact CG-CG 4.44Å; L280-E284 WeakPolarHBondContact O-CB 3.36Å; L280-E284 WeakPolarHBondContact O-CG 3.45Å; L280-E284 PolarHBondContact O-N 3.45Å; S281-E284 PolarHBondContact O-N 3.34Å; I282-E284 PolarHBondContact O-N 3Å; E284-G288 VanDerWaalsContact O-CA 3.27Å; E284-G288 WeakPolarHBondContact O-CA 3.38Å; E284-G288 PolarHBondContact O-N 3.28Å; E284-V294 HydrophobicContact CG-CG1 4.08Å; E284-V294 HydrophobicContact CG-CG2 4.1Å; E284-R320 IonicContact OE1-CZ 2.74Å; E284-R320 IonicContact OE1-NH1 2.8Å; E284-R320 PolarHBondContact OE1-NH1 3.37Å; E284-R320 IonicContact OE1-NH2 3.66Å; E284-R320 PolarHBondContact OE1-NH2 2.87Å |
| 285 | K | 93.4 | Very high | 92.1 | Very high | 133 Ų | 133 | 43.7 Ų | 43.7 | 58% | 0.578 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -68.8 | -42.9 | 175.8 | -69.9 | 179.1 | -173 | 173.4 | 0 | 112.6 | D248 S281 I282 | D248-K285 IonicContact OD1-NZ 3.97Å; D248-K285 PolarHBondContact OD1-NZ 3.27Å; D248-K285 IonicContact OD2-NZ 3.87Å; D248-K285 PolarHBondContact OD2-NZ 3.32Å; S281-K285 WeakPolarHBondContact O-CG 3.45Å; S281-K285 PolarHBondContact O-N 3.12Å; S281-K285 VanDerWaalsContact O-N 3.1Å; I282-K285 PolarHBondContact O-N 3.1Å |
| 286 | T | 91.1 | Very high | 91.9 | Very high | 57 Ų | 57 | 43.3 Ų | 43.3 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -84.8 | -41.1 | -171.6 | 49.3 | 0 | 0 | 0 | 0 | 114.1 | D248 I282 R283 | D248-T286 WeakPolarHBondContact O-CG2 3.46Å; I282-T286 HydrophobicContact CG2-CG2 4.23Å; I282-T286 WeakPolarHBondContact O-CB 3.17Å; I282-T286 WeakPolarHBondContact O-CG2 3.4Å; I282-T286 PolarHBondContact O-N 2.96Å; I282-T286 PolarHBondContact O-OG1 3.49Å; R283-T286 WeakPolarHBondContact CA-OG1 3.17Å |
| 287 | L | 88.3 | Confident | 91.7 | Very high | 68 Ų | 68 | 43.1 Ų | 43.1 | 36% | 0.356 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -109.2 | -12.2 | -171.8 | -55.6 | 169.7 | 0 | 0 | 0 | 112.5 | R283 H291 A293 | R283-L287 HydrophobicContact CB-CD1 4.4Å; R283-L287 HydrophobicContact CG-CD1 4.2Å; R283-L287 WeakPolarHBondContact O-CA 3.38Å; R283-L287 WeakPolarHBondContact O-CB 3.47Å; R283-L287 PolarHBondContact O-N 2.99Å; L287-H291 HydrophobicContact CB-CB 3.75Å; L287-A293 HydrophobicContact CD1-CB 3.8Å |
| 288 | G | 90.4 | Very high | 91.7 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 33% | 0.33 | 22% | 0.218 | S | C | . | . | trans | 88.6 | 159.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E284 D290 H291 V294 | E284-G288 VanDerWaalsContact O-CA 3.27Å; E284-G288 WeakPolarHBondContact O-CA 3.38Å; E284-G288 PolarHBondContact O-N 3.28Å; G288-D290 VanDerWaalsContact C-N 3.28Å; G288-D290 PolarHBondContact O-N 3.28Å; G288-H291 WeakPolarHBondContact O-CB 3.26Å; G288-H291 PolarHBondContact O-N 3.16Å; G288-V294 WeakPolarHBondContact O-CG2 3.4Å | ||
| 289 | K | 90.8 | Very high | 91.6 | Very high | 143 Ų | 143 | 38.5 Ų | 38.5 | 62% | 0.622 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -23.6 | -170.6 | -66 | 179.5 | -179.6 | 177.1 | 0 | 114.9 | I324 | K289-I324 VanDerWaalsContact O-CD1 3.28Å; K289-I324 WeakPolarHBondContact O-CD1 3.23Å |
| 290 | D | 90.1 | Very high | 91.4 | Very high | 76 Ų | 76 | 40.6 Ų | 40.6 | 41% | 0.406 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 11.6 | -176.4 | -64.4 | -20.5 | 0 | 0 | 0 | 112.8 | G288 I324 K327 V328 | G288-D290 VanDerWaalsContact C-N 3.28Å; G288-D290 PolarHBondContact O-N 3.28Å; D290-I324 VanDerWaalsContact O-CG2 3.22Å; D290-I324 WeakPolarHBondContact O-CG2 3.27Å; D290-K327 IonicContact OD2-NZ 2.68Å; D290-K327 PolarHBondContact OD2-NZ 3.46Å; D290-V328 WeakPolarHBondContact O-CG2 3.44Å |
| 291 | H | 88.4 | Confident | 91.3 | Very high | 72 Ų | 72 | 39.9 Ų | 39.9 | 33% | 0.333 | 22% | 0.217 | S | C | . | . | trans | -74.5 | 142.6 | -178.1 | -168.4 | -94.5 | 0 | 0 | 0 | 112 | L287 G288 A293 V294 A295 | L287-H291 HydrophobicContact CB-CB 3.75Å; G288-H291 WeakPolarHBondContact O-CB 3.26Å; G288-H291 PolarHBondContact O-N 3.16Å; H291-A293 WeakPolarHBondContact ND1-CB 3.34Å; H291-A293 PolarHBondContact ND1-N 3.3Å; H291-A293 PolarHBondContact O-N 2.89Å; H291-A293 VanDerWaalsContact O-N 3.1Å; H291-V294 HydrophobicContact CB-CG2 4.3Å; H291-V294 WeakPolarHBondContact O-CA 3.4Å; H291-V294 VanDerWaalsContact O-CB 3.31Å; H291-V294 WeakPolarHBondContact O-CB 3.22Å; H291-V294 PolarHBondContact O-N 2.9Å; H291-A295 PolarHBondContact O-N 3.16Å | ||
| 292 | P | 88 | Confident | 91.2 | Very high | 60 Ų | 60 | 37.6 Ų | 37.6 | 39% | 0.39 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -53.8 | -33.1 | 176.8 | -30.9 | 37.7 | 0 | 0 | 0 | 114.7 | V294 A295 A296 V328 | P292-V294 VanDerWaalsContact C-N 3.3Å; P292-V294 PolarHBondContact O-N 3.44Å; P292-A295 PolarHBondContact O-N 3.01Å; P292-A296 PolarHBondContact O-N 3.42Å; P292-V328 HydrophobicContact CG-CB 4.48Å; P292-V328 HydrophobicContact CG-CG1 3.84Å; P292-V328 HydrophobicContact CG-CG2 4.42Å |
| 293 | A | 86.7 | Confident | 91 | Very high | 9 Ų | 9 | 40.1 Ų | 40.1 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.5 | -31.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y205 R283 L287 H291 A296 T297 | Y205-A293 HydrophobicContact CD2-CB 4.44Å; Y205-A293 HydrophobicContact CE2-CB 4.31Å; R283-A293 PolarHBondContact NH1-O 2.67Å; R283-A293 VanDerWaalsContact NH1-O 3.13Å; L287-A293 HydrophobicContact CD1-CB 3.8Å; H291-A293 WeakPolarHBondContact ND1-CB 3.34Å; H291-A293 PolarHBondContact ND1-N 3.3Å; H291-A293 PolarHBondContact O-N 2.89Å; H291-A293 VanDerWaalsContact O-N 3.1Å; A293-A296 PolarHBondContact O-N 3.42Å; A293-T297 PolarHBondContact O-N 2.9Å; A293-T297 VanDerWaalsContact O-N 3.11Å; A293-T297 PolarHBondContact O-OG1 2.86Å |
| 294 | V | 92 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.6 | -45.7 | 173.3 | 173.4 | 0 | 0 | 0 | 0 | 109.6 | L280 R283 E284 G288 H291 P292 A296 T297 L298 I324 | L280-V294 HydrophobicContact CD1-CG1 3.75Å; R283-V294 HydrophobicContact CB-CG2 3.91Å; E284-V294 HydrophobicContact CG-CG1 4.08Å; E284-V294 HydrophobicContact CG-CG2 4.1Å; G288-V294 WeakPolarHBondContact O-CG2 3.4Å; H291-V294 HydrophobicContact CB-CG2 4.3Å; H291-V294 WeakPolarHBondContact O-CA 3.4Å; H291-V294 VanDerWaalsContact O-CB 3.31Å; H291-V294 WeakPolarHBondContact O-CB 3.22Å; H291-V294 PolarHBondContact O-N 2.9Å; P292-V294 VanDerWaalsContact C-N 3.3Å; P292-V294 PolarHBondContact O-N 3.44Å; V294-A296 VanDerWaalsContact C-N 3.27Å; V294-A296 PolarHBondContact O-N 3.38Å; V294-T297 PolarHBondContact O-N 2.7Å; V294-T297 VanDerWaalsContact O-N 3.16Å; V294-L298 HydrophobicContact CG1-CD1 3.9Å; V294-L298 HydrophobicContact CG1-CG 4.32Å; V294-L298 WeakPolarHBondContact O-CB 3.5Å; V294-L298 WeakPolarHBondContact O-CG 3.28Å; V294-L298 PolarHBondContact O-N 3.05Å; V294-I324 HydrophobicContact CG1-CD1 4.08Å |
| 295 | A | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.8 | -38.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H291 P292 N299 A321 I324 R325 | H291-A295 PolarHBondContact O-N 3.16Å; P292-A295 PolarHBondContact O-N 3.01Å; A295-N299 WeakPolarHBondContact O-CB 3.32Å; A295-N299 PolarHBondContact O-N 3.31Å; A295-A321 HydrophobicContact CB-CB 4.37Å; A295-I324 HydrophobicContact CB-CB 4Å; A295-I324 HydrophobicContact CB-CD1 4.46Å; A295-I324 HydrophobicContact CB-CG2 3.79Å; A295-R325 HydrophobicContact CB-CG 4.13Å |
| 296 | A | 89.2 | Confident | 90.6 | Very high | 23 Ų | 23 | 33.6 Ų | 33.6 | 19% | 0.19 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.7 | -45.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | P292 A293 V294 N299 N300 | P292-A296 PolarHBondContact O-N 3.42Å; A293-A296 PolarHBondContact O-N 3.42Å; V294-A296 VanDerWaalsContact C-N 3.27Å; V294-A296 PolarHBondContact O-N 3.38Å; A296-N299 PolarHBondContact O-N 3.13Å; A296-N300 PolarHBondContact O-N 3.25Å |
| 297 | T | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 176.7 | -46.7 | 0 | 0 | 0 | 0 | 111.7 | L276 L280 R283 A293 V294 N299 N300 L301 | L276-T297 HydrophobicContact CB-CG2 4.33Å; L276-T297 HydrophobicContact CD2-CG2 4.34Å; L276-T297 VanDerWaalsContact O-CG2 3.31Å; L276-T297 WeakPolarHBondContact O-CG2 3.47Å; L280-T297 HydrophobicContact CB-CG2 3.82Å; L280-T297 HydrophobicContact CD1-CG2 4.23Å; R283-T297 VanDerWaalsContact CD-OG1 3.23Å; R283-T297 WeakPolarHBondContact CD-OG1 3.48Å; R283-T297 PolarHBondContact NH1-OG1 3.36Å; A293-T297 PolarHBondContact O-N 2.9Å; A293-T297 VanDerWaalsContact O-N 3.11Å; A293-T297 PolarHBondContact O-OG1 2.86Å; V294-T297 PolarHBondContact O-N 2.7Å; V294-T297 VanDerWaalsContact O-N 3.16Å; T297-N299 VanDerWaalsContact C-N 3.32Å; T297-N299 PolarHBondContact O-N 3.03Å; T297-N300 PolarHBondContact O-N 3.14Å; T297-N300 VanDerWaalsContact O-N 3.16Å; T297-L301 HydrophobicContact CG2-CD1 4.37Å; T297-L301 PolarHBondContact O-N 3.38Å |
| 298 | L | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.8 | -43.6 | 177.9 | -73.7 | 170.1 | 0 | 0 | 0 | 111.6 | L280 V294 L301 A302 L317 R320 A321 I324 | L280-L298 HydrophobicContact CD1-CD2 3.94Å; L280-L298 HydrophobicContact CD1-CG 3.84Å; L280-L298 HydrophobicContact CD2-CD2 3.72Å; V294-L298 HydrophobicContact CG1-CD1 3.9Å; V294-L298 HydrophobicContact CG1-CG 4.32Å; V294-L298 WeakPolarHBondContact O-CB 3.5Å; V294-L298 WeakPolarHBondContact O-CG 3.28Å; V294-L298 PolarHBondContact O-N 3.05Å; L298-L301 PolarHBondContact O-N 3.44Å; L298-A302 WeakPolarHBondContact O-CB 3.31Å; L298-A302 PolarHBondContact O-N 2.9Å; L298-L317 HydrophobicContact CD2-CB 4.44Å; L298-L317 HydrophobicContact CD2-CD2 3.7Å; L298-R320 HydrophobicContact CD1-CB 4.16Å; L298-R320 HydrophobicContact CD1-CG 3.76Å; L298-A321 HydrophobicContact CB-CB 3.91Å; L298-I324 HydrophobicContact CD1-CD1 3.87Å |
| 299 | N | 92.2 | Very high | 90.3 | Very high | 20 Ų | 20 | 39 Ų | 39 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63 | -43 | 175.4 | -179.9 | 74.5 | 0 | 0 | 0 | 111.9 | A295 A296 T297 A302 V303 Q339 N342 | A295-N299 WeakPolarHBondContact O-CB 3.32Å; A295-N299 PolarHBondContact O-N 3.31Å; A296-N299 PolarHBondContact O-N 3.13Å; T297-N299 VanDerWaalsContact C-N 3.32Å; T297-N299 PolarHBondContact O-N 3.03Å; N299-A302 PolarHBondContact O-N 2.91Å; N299-V303 WeakPolarHBondContact O-CG2 3.37Å; N299-V303 PolarHBondContact O-N 3.34Å; N299-Q339 PolarHBondContact OD1-NE2 3.48Å; N299-Q339 PolarHBondContact OD1-OE1 2.99Å; N299-N342 PolarHBondContact OD1-ND2 2.9Å |
| 300 | N | 90.8 | Very high | 90.4 | Very high | 43 Ų | 43 | 35.6 Ų | 35.6 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 177.3 | -70.6 | -12.8 | 0 | 0 | 0 | 111.8 | N257 L276 A296 T297 V303 L304 | N257-N300 PolarHBondContact OD1-ND2 3.24Å; L276-N300 HydrophobicContact CD1-CB 3.6Å; A296-N300 PolarHBondContact O-N 3.25Å; T297-N300 PolarHBondContact O-N 3.14Å; T297-N300 VanDerWaalsContact O-N 3.16Å; N300-V303 PolarHBondContact O-N 2.68Å; N300-L304 WeakPolarHBondContact O-CG 3.42Å; N300-L304 PolarHBondContact O-N 3.41Å |
| 301 | L | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 172.9 | -82 | 167.8 | 0 | 0 | 0 | 112 | A273 L276 L280 T297 L298 V303 L304 Y305 L317 | A273-L301 HydrophobicContact CB-CD2 4.49Å; L276-L301 HydrophobicContact CB-CD1 4.24Å; L276-L301 HydrophobicContact CB-CD2 3.43Å; L276-L301 VanDerWaalsContact CB-CD2 3.43Å; L276-L301 HydrophobicContact CB-CG 3.6Å; L276-L301 HydrophobicContact CD1-CD2 4.2Å; L276-L301 HydrophobicContact CD1-CG 4.08Å; L276-L301 HydrophobicContact CG-CD2 4.45Å; L280-L301 HydrophobicContact CB-CD1 4.38Å; L280-L301 HydrophobicContact CD2-CD1 3.93Å; T297-L301 HydrophobicContact CG2-CD1 4.37Å; T297-L301 PolarHBondContact O-N 3.38Å; L298-L301 PolarHBondContact O-N 3.44Å; L301-V303 VanDerWaalsContact C-N 3.3Å; L301-V303 PolarHBondContact O-N 3.45Å; L301-L304 PolarHBondContact O-N 3.18Å; L301-L304 VanDerWaalsContact O-N 3.13Å; L301-Y305 HydrophobicContact CD2-CE2 4.32Å; L301-Y305 VanDerWaalsContact O-CD2 3.24Å; L301-Y305 WeakPolarHBondContact O-CD2 3.39Å; L301-Y305 PolarHBondContact O-N 3.35Å; L301-L317 HydrophobicContact CB-CD1 4.12Å |
| 302 | A | 92.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.2 | -41.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L298 N299 Y305 G306 A314 L317 C318 L346 | L298-A302 WeakPolarHBondContact O-CB 3.31Å; L298-A302 PolarHBondContact O-N 2.9Å; N299-A302 PolarHBondContact O-N 2.91Å; A302-Y305 PolarHBondContact O-N 2.97Å; A302-G306 PolarHBondContact O-N 2.76Å; A302-A314 HydrophobicContact CB-CB 4.31Å; A302-A314 WeakPolarHBondContact O-CB 3.24Å; A302-L317 HydrophobicContact CB-CB 4.22Å; A302-C318 HydrophobicContact CB-CB 4.01Å; A302-L346 HydrophobicContact CB-CD1 4.31Å |
| 303 | V | 89.3 | Confident | 90.8 | Very high | 53 Ų | 53 | 41.4 Ų | 41.4 | 32% | 0.321 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 174.7 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | N299 N300 L301 G306 K307 | N299-V303 WeakPolarHBondContact O-CG2 3.37Å; N299-V303 PolarHBondContact O-N 3.34Å; N300-V303 PolarHBondContact O-N 2.68Å; L301-V303 VanDerWaalsContact C-N 3.3Å; L301-V303 PolarHBondContact O-N 3.45Å; V303-G306 PolarHBondContact O-N 3.28Å; V303-K307 WeakPolarHBondContact O-CG 3.36Å; V303-K307 PolarHBondContact O-N 2.96Å |
| 304 | L | 90.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -45.1 | 176.5 | -70.6 | -178.5 | 0 | 0 | 0 | 112.2 | R264 Y269 A272 A273 L276 N300 L301 G306 K307 R308 | R264-L304 HydrophobicContact CB-CD2 3.91Å; R264-L304 HydrophobicContact CG-CD2 3.67Å; Y269-L304 HydrophobicContact CD1-CD2 3.9Å; A272-L304 HydrophobicContact CB-CD1 3.68Å; A272-L304 HydrophobicContact CB-CD2 4.15Å; A273-L304 HydrophobicContact CB-CD1 4.38Å; L276-L304 HydrophobicContact CD1-CD1 3.5Å; L276-L304 HydrophobicContact CD1-CG 4.32Å; L276-L304 HydrophobicContact CG-CD1 4.27Å; N300-L304 WeakPolarHBondContact O-CG 3.42Å; N300-L304 PolarHBondContact O-N 3.41Å; L301-L304 PolarHBondContact O-N 3.18Å; L301-L304 VanDerWaalsContact O-N 3.13Å; L304-G306 VanDerWaalsContact C-N 3.34Å; L304-K307 PolarHBondContact O-N 3.36Å; L304-R308 WeakPolarHBondContact O-CG 3.5Å; L304-R308 PolarHBondContact O-N 2.9Å |
| 305 | Y | 92 | Very high | 91.1 | Very high | 34 Ų | 34 | 41.9 Ų | 41.9 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 175.9 | -75 | -56.1 | 0 | 0 | 0 | 111.8 | N277 L301 A302 R308 G309 K310 L317 | N277-Y305 PolarHBondContact ND2-OH 2.84Å; L301-Y305 HydrophobicContact CD2-CE2 4.32Å; L301-Y305 VanDerWaalsContact O-CD2 3.24Å; L301-Y305 WeakPolarHBondContact O-CD2 3.39Å; L301-Y305 PolarHBondContact O-N 3.35Å; A302-Y305 PolarHBondContact O-N 2.97Å; Y305-R308 CarbonylContact O-C 3.48Å; Y305-R308 WeakPolarHBondContact O-CB 3.41Å; Y305-R308 PolarHBondContact O-N 3.39Å; Y305-R308 VanDerWaalsContact O-N 3.14Å; Y305-G309 PolarHBondContact O-N 2.81Å; Y305-K310 HydrophobicContact CD1-CB 4.2Å; Y305-K310 HydrophobicContact CD1-CD 3.93Å; Y305-K310 HydrophobicContact CE1-CD 4.38Å; Y305-K310 PolarHBondContact O-N 3.33Å; Y305-L317 HydrophobicContact CD2-CD1 3.55Å; Y305-L317 HydrophobicContact CE2-CD1 3.58Å |
| 306 | G | 88.8 | Confident | 91.2 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 11% | 0.113 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -45.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A302 V303 L304 R308 G309 Y311 | A302-G306 PolarHBondContact O-N 2.76Å; V303-G306 PolarHBondContact O-N 3.28Å; L304-G306 VanDerWaalsContact C-N 3.34Å; G306-R308 PolarHBondContact O-N 3.46Å; G306-G309 PolarHBondContact O-N 3.47Å; G306-Y311 WeakPolarHBondContact O-CE1 3.38Å |
| 307 | K | 87.9 | Confident | 91.5 | Very high | 146 Ų | 146 | 46 Ų | 46 | 64% | 0.635 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.1 | -27.1 | 175.4 | -72.1 | -70.1 | -175.4 | 178.6 | 0 | 113.3 | Y269 V303 L304 G309 | Y269-K307 HydrophobicContact CD1-CB 4.42Å; Y269-K307 HydrophobicContact CE1-CB 4.07Å; Y269-K307 HydrophobicContact CE1-CG 4.46Å; V303-K307 WeakPolarHBondContact O-CG 3.36Å; V303-K307 PolarHBondContact O-N 2.96Å; L304-K307 PolarHBondContact O-N 3.36Å; K307-G309 VanDerWaalsContact C-N 3.33Å |
| 308 | R | 88.8 | Confident | 91.6 | Very high | 86 Ų | 86 | 46 Ų | 46 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -2.5 | 174.3 | -67.8 | 176 | 63.7 | -173.6 | -0.2 | 113.9 | Y269 L304 Y305 G306 K310 | Y269-R308 HydrophobicContact CD2-CG 4.47Å; Y269-R308 HydrophobicContact CG-CG 4.21Å; L304-R308 WeakPolarHBondContact O-CG 3.5Å; L304-R308 PolarHBondContact O-N 2.9Å; Y305-R308 CarbonylContact O-C 3.48Å; Y305-R308 WeakPolarHBondContact O-CB 3.41Å; Y305-R308 PolarHBondContact O-N 3.39Å; Y305-R308 VanDerWaalsContact O-N 3.14Å; G306-R308 PolarHBondContact O-N 3.46Å; R308-K310 VanDerWaalsContact C-N 3.27Å; R308-K310 HydrophobicContact CB-CD 4.41Å; R308-K310 PolarHBondContact O-N 3.23Å |
| 309 | G | 88.8 | Confident | 91.6 | Very high | 39 Ų | 39 | 49 Ų | 49 | 40% | 0.402 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 6.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y305 G306 K307 Y311 | Y305-G309 PolarHBondContact O-N 2.81Å; G306-G309 PolarHBondContact O-N 3.47Å; K307-G309 VanDerWaalsContact C-N 3.33Å; G309-Y311 WeakPolarHBondContact O-CD2 3.4Å; G309-Y311 PolarHBondContact O-N 3.33Å |
| 310 | K | 92.3 | Very high | 91.8 | Very high | 70 Ų | 70 | 51.4 Ų | 51.4 | 30% | 0.304 | 25% | 0.249 | S | C | . | . | trans | -85.3 | 58.3 | 178 | -76.1 | 166.6 | 154 | -96.1 | 0 | 110.9 | Y305 R308 K312 E313 A314 | Y305-K310 HydrophobicContact CD1-CB 4.2Å; Y305-K310 HydrophobicContact CD1-CD 3.93Å; Y305-K310 HydrophobicContact CE1-CD 4.38Å; Y305-K310 PolarHBondContact O-N 3.33Å; R308-K310 VanDerWaalsContact C-N 3.27Å; R308-K310 HydrophobicContact CB-CD 4.41Å; R308-K310 PolarHBondContact O-N 3.23Å; K310-K312 VanDerWaalsContact C-N 3.34Å; K310-K312 PolarHBondContact O-N 3.01Å; K310-E313 HydrophobicContact CB-CB 4.34Å; K310-E313 WeakPolarHBondContact CD-OE2 3.31Å; K310-E313 IonicContact NZ-OE1 3.15Å; K310-E313 PolarHBondContact NZ-OE1 3.14Å; K310-E313 IonicContact NZ-OE2 3.96Å; K310-E313 PolarHBondContact NZ-OE2 3.19Å; K310-E313 PolarHBondContact O-N 3.23Å; K310-A314 PolarHBondContact O-N 3.46Å; K310-A314 VanDerWaalsContact O-N 3.12Å | ||
| 311 | Y | 91.8 | Very high | 91.9 | Very high | 69 Ų | 69 | 49.4 Ų | 49.4 | 27% | 0.271 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.6 | -35.2 | -173.3 | -52.5 | -63.7 | 0 | 0 | 0 | 113.5 | G306 G309 E313 A314 E315 L346 N349 Q350 | G306-Y311 WeakPolarHBondContact O-CE1 3.38Å; G309-Y311 WeakPolarHBondContact O-CD2 3.4Å; G309-Y311 PolarHBondContact O-N 3.33Å; Y311-E313 VanDerWaalsContact C-N 3.32Å; Y311-E313 PolarHBondContact O-N 3.44Å; Y311-A314 PolarHBondContact O-N 3.45Å; Y311-E315 PolarHBondContact O-N 2.89Å; Y311-L346 HydrophobicContact CD1-CD2 4.05Å; Y311-N349 HydrophobicContact CD1-CB 3.81Å; Y311-N349 HydrophobicContact CD2-CB 3.96Å; Y311-N349 HydrophobicContact CE1-CB 3.61Å; Y311-N349 WeakPolarHBondContact CE1-ND2 3.16Å; Y311-N349 HydrophobicContact CE2-CB 3.76Å; Y311-N349 HydrophobicContact CG-CB 3.98Å; Y311-Q350 HydrophobicContact CG-CG 4.42Å |
| 312 | K | 91.1 | Very high | 92 | Very high | 176 Ų | 176 | 50.1 Ų | 50.1 | 77% | 0.765 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64 | -34 | 176.8 | -65.5 | -173.9 | 179 | -176.8 | 0 | 113.2 | K310 P316 | K310-K312 VanDerWaalsContact C-N 3.34Å; K310-K312 PolarHBondContact O-N 3.01Å; K312-P316 WeakPolarHBondContact O-CD 3.4Å |
| 313 | E | 90.7 | Very high | 92.1 | Very high | 85 Ų | 85 | 55.9 Ų | 55.9 | 40% | 0.397 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -78.2 | -30.4 | 175.3 | -66.9 | 171.4 | -152.9 | 0 | 0 | 111.4 | K310 Y311 P316 | K310-E313 HydrophobicContact CB-CB 4.34Å; K310-E313 WeakPolarHBondContact CD-OE2 3.31Å; K310-E313 IonicContact NZ-OE1 3.15Å; K310-E313 PolarHBondContact NZ-OE1 3.14Å; K310-E313 IonicContact NZ-OE2 3.96Å; K310-E313 PolarHBondContact NZ-OE2 3.19Å; K310-E313 PolarHBondContact O-N 3.23Å; Y311-E313 VanDerWaalsContact C-N 3.32Å; Y311-E313 PolarHBondContact O-N 3.44Å; E313-P316 WeakPolarHBondContact O-CD 3.48Å; E313-P316 WeakPolarHBondContact O-CG 3.46Å |
| 314 | A | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -74.9 | -36.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A302 K310 Y311 L317 C318 L346 | A302-A314 HydrophobicContact CB-CB 4.31Å; A302-A314 WeakPolarHBondContact O-CB 3.24Å; K310-A314 PolarHBondContact O-N 3.46Å; K310-A314 VanDerWaalsContact O-N 3.12Å; Y311-A314 PolarHBondContact O-N 3.45Å; A314-L317 PolarHBondContact O-N 3.41Å; A314-C318 WeakPolarHBondContact O-CB 3.25Å; A314-C318 PolarHBondContact O-N 3.06Å; A314-L346 HydrophobicContact CB-CD1 3.87Å; A314-L346 HydrophobicContact CB-CD2 3.75Å; A314-L346 HydrophobicContact CB-CG 4.45Å |
| 315 | E | 92.4 | Very high | 92.4 | Very high | 19 Ų | 19 | 55.1 Ų | 55.1 | 9% | 0.089 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.3 | -52.3 | -177.6 | -172.9 | -177 | 149 | 0 | 0 | 114.1 | Y311 L317 C318 K319 L343 Q350 K352 | Y311-E315 PolarHBondContact O-N 2.89Å; E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 3.06Å; E315-C318 PolarHBondContact O-N 3.06Å; E315-K319 HydrophobicContact CG-CD 4.23Å; E315-K319 PolarHBondContact O-N 3.24Å; E315-K319 WeakPolarHBondContact OE1-CE 3.27Å; E315-K319 IonicContact OE1-NZ 3.14Å; E315-K319 PolarHBondContact OE1-NZ 3.08Å; E315-L343 HydrophobicContact CG-CD1 4.17Å; E315-Q350 PolarHBondContact OE2-NE2 3.26Å; E315-Q350 PolarHBondContact OE2-OE1 3.4Å; E315-K352 VanDerWaalsContact CD-NZ 3.33Å; E315-K352 IonicContact OE1-NZ 3.5Å; E315-K352 PolarHBondContact OE1-NZ 3.48Å; E315-K352 VanDerWaalsContact OE1-NZ 3.13Å; E315-K352 IonicContact OE2-NZ 3.13Å; E315-K352 PolarHBondContact OE2-NZ 3.15Å |
| 316 | P | 94.5 | Very high | 92.4 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.5 | -34.6 | -179.6 | 24.4 | -34.7 | 0 | 0 | 0 | 112.6 | K312 E313 K319 R320 | K312-P316 WeakPolarHBondContact O-CD 3.4Å; E313-P316 WeakPolarHBondContact O-CD 3.48Å; E313-P316 WeakPolarHBondContact O-CG 3.46Å; P316-K319 PolarHBondContact O-N 3.34Å; P316-R320 WeakPolarHBondContact O-CB 3.48Å; P316-R320 PolarHBondContact O-N 3.1Å |
| 317 | L | 94.8 | Very high | 92.6 | Very high | 35 Ų | 35 | 62 Ų | 62 | 18% | 0.183 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66 | -41.4 | 176 | -61 | 171.9 | 0 | 0 | 0 | 111.3 | L298 L301 A302 Y305 A314 E315 A321 | L298-L317 HydrophobicContact CD2-CB 4.44Å; L298-L317 HydrophobicContact CD2-CD2 3.7Å; L301-L317 HydrophobicContact CB-CD1 4.12Å; A302-L317 HydrophobicContact CB-CB 4.22Å; Y305-L317 HydrophobicContact CD2-CD1 3.55Å; Y305-L317 HydrophobicContact CE2-CD1 3.58Å; A314-L317 PolarHBondContact O-N 3.41Å; E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 3.06Å; L317-A321 WeakPolarHBondContact O-CB 3.34Å; L317-A321 PolarHBondContact O-N 2.98Å |
| 318 | C | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.5 | -39.9 | 177.6 | -163.9 | 0 | 0 | 0 | 0 | 112 | A302 A314 E315 A321 L322 Q339 L343 L346 | A302-C318 HydrophobicContact CB-CB 4.01Å; A314-C318 WeakPolarHBondContact O-CB 3.25Å; A314-C318 PolarHBondContact O-N 3.06Å; E315-C318 PolarHBondContact O-N 3.06Å; C318-A321 PolarHBondContact O-N 2.73Å; C318-L322 PolarHBondContact O-N 3.11Å; C318-Q339 PolarHBondContact SG-NE2 3.41Å; C318-L343 HydrophobicContact CB-CD1 3.93Å; C318-L346 HydrophobicContact CB-CD1 3.65Å |
| 319 | K | 94.6 | Very high | 92.7 | Very high | 63 Ų | 63 | 57.5 Ų | 57.5 | 27% | 0.274 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 173.8 | -77.9 | 179.9 | 169.6 | 168.6 | 0 | 111.8 | E315 P316 A321 L322 E323 L343 | E315-K319 HydrophobicContact CG-CD 4.23Å; E315-K319 PolarHBondContact O-N 3.24Å; E315-K319 WeakPolarHBondContact OE1-CE 3.27Å; E315-K319 IonicContact OE1-NZ 3.14Å; E315-K319 PolarHBondContact OE1-NZ 3.08Å; P316-K319 PolarHBondContact O-N 3.34Å; K319-A321 VanDerWaalsContact C-N 3.32Å; K319-A321 PolarHBondContact O-N 3.03Å; K319-L322 WeakPolarHBondContact O-CA 3.5Å; K319-L322 VanDerWaalsContact O-CB 3.31Å; K319-L322 WeakPolarHBondContact O-CB 3.24Å; K319-L322 PolarHBondContact O-N 3.23Å; K319-E323 WeakPolarHBondContact O-CG 3.5Å; K319-E323 PolarHBondContact O-N 2.85Å; K319-L343 HydrophobicContact CG-CD1 3.92Å; K319-L343 HydrophobicContact CG-CD2 4.03Å |
| 320 | R | 95.3 | Very high | 92.8 | Very high | 72 Ų | 72 | 57.2 Ų | 57.2 | 27% | 0.272 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 174.6 | -173.8 | -179.9 | 169.2 | -153 | -10.1 | 112.2 | E284 L298 P316 L322 E323 I324 | E284-R320 IonicContact OE1-CZ 2.74Å; E284-R320 IonicContact OE1-NH1 2.8Å; E284-R320 PolarHBondContact OE1-NH1 3.37Å; E284-R320 IonicContact OE1-NH2 3.66Å; E284-R320 PolarHBondContact OE1-NH2 2.87Å; L298-R320 HydrophobicContact CD1-CB 4.16Å; L298-R320 HydrophobicContact CD1-CG 3.76Å; P316-R320 WeakPolarHBondContact O-CB 3.48Å; P316-R320 PolarHBondContact O-N 3.1Å; R320-L322 VanDerWaalsContact C-N 3.3Å; R320-L322 PolarHBondContact O-N 3.46Å; R320-E323 PolarHBondContact O-N 2.91Å; R320-I324 HydrophobicContact CG-CD1 4.21Å; R320-I324 VanDerWaalsContact O-CG1 3.3Å; R320-I324 WeakPolarHBondContact O-CG1 3.35Å; R320-I324 PolarHBondContact O-N 3.24Å; R320-I324 VanDerWaalsContact O-N 3.13Å |
| 321 | A | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.3 | -36.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A295 L298 L317 C318 K319 R325 | A295-A321 HydrophobicContact CB-CB 4.37Å; L298-A321 HydrophobicContact CB-CB 3.91Å; L317-A321 WeakPolarHBondContact O-CB 3.34Å; L317-A321 PolarHBondContact O-N 2.98Å; C318-A321 PolarHBondContact O-N 2.73Å; K319-A321 VanDerWaalsContact C-N 3.32Å; K319-A321 PolarHBondContact O-N 3.03Å; A321-R325 VanDerWaalsContact O-CG 3.31Å; A321-R325 WeakPolarHBondContact O-CG 3.35Å; A321-R325 PolarHBondContact O-N 3.25Å; A321-R325 VanDerWaalsContact O-N 3.08Å |
| 322 | L | 94.1 | Very high | 92.7 | Very high | 15 Ų | 15 | 61.5 Ų | 61.5 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.8 | -49.3 | 175.3 | -179.1 | 68.2 | 0 | 0 | 0 | 111.5 | C318 K319 R320 I324 R325 E326 V336 Q339 L340 L343 | C318-L322 PolarHBondContact O-N 3.11Å; K319-L322 WeakPolarHBondContact O-CA 3.5Å; K319-L322 VanDerWaalsContact O-CB 3.31Å; K319-L322 WeakPolarHBondContact O-CB 3.24Å; K319-L322 PolarHBondContact O-N 3.23Å; R320-L322 VanDerWaalsContact C-N 3.3Å; R320-L322 PolarHBondContact O-N 3.46Å; L322-I324 VanDerWaalsContact C-N 3.31Å; L322-I324 PolarHBondContact O-N 3.13Å; L322-R325 PolarHBondContact O-N 3.04Å; L322-R325 VanDerWaalsContact O-N 3.12Å; L322-E326 HydrophobicContact CD1-CG 4.35Å; L322-E326 HydrophobicContact CG-CG 4.41Å; L322-E326 WeakPolarHBondContact O-CG 3.31Å; L322-E326 PolarHBondContact O-N 3.32Å; L322-V336 HydrophobicContact CD1-CG1 3.72Å; L322-Q339 HydrophobicContact CB-CG 3.86Å; L322-Q339 HydrophobicContact CD1-CB 3.97Å; L322-Q339 HydrophobicContact CD1-CG 3.99Å; L322-L340 HydrophobicContact CD1-CD2 4Å; L322-L340 HydrophobicContact CD1-CG 3.87Å; L322-L340 HydrophobicContact CD2-CD2 3.72Å; L322-L343 HydrophobicContact CD2-CD2 4.04Å |
| 323 | E | 94.8 | Very high | 92.7 | Very high | 123 Ų | 123 | 56 Ų | 56 | 58% | 0.575 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -56.5 | -44.7 | 178.1 | -70.7 | 164.4 | -165.6 | 0 | 0 | 111.7 | K319 R320 E326 K327 | K319-E323 WeakPolarHBondContact O-CG 3.5Å; K319-E323 PolarHBondContact O-N 2.85Å; R320-E323 PolarHBondContact O-N 2.91Å; E323-E326 PolarHBondContact O-N 3.44Å; E323-K327 WeakPolarHBondContact O-CB 3.25Å; E323-K327 PolarHBondContact O-N 2.89Å |
| 324 | I | 93.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 176.6 | -64.9 | 166.4 | 0 | 0 | 0 | 110.8 | K289 D290 V294 A295 L298 R320 L322 E326 K327 V328 | K289-I324 VanDerWaalsContact O-CD1 3.28Å; K289-I324 WeakPolarHBondContact O-CD1 3.23Å; D290-I324 VanDerWaalsContact O-CG2 3.22Å; D290-I324 WeakPolarHBondContact O-CG2 3.27Å; V294-I324 HydrophobicContact CG1-CD1 4.08Å; A295-I324 HydrophobicContact CB-CB 4Å; A295-I324 HydrophobicContact CB-CD1 4.46Å; A295-I324 HydrophobicContact CB-CG2 3.79Å; L298-I324 HydrophobicContact CD1-CD1 3.87Å; R320-I324 HydrophobicContact CG-CD1 4.21Å; R320-I324 VanDerWaalsContact O-CG1 3.3Å; R320-I324 WeakPolarHBondContact O-CG1 3.35Å; R320-I324 PolarHBondContact O-N 3.24Å; R320-I324 VanDerWaalsContact O-N 3.13Å; L322-I324 VanDerWaalsContact C-N 3.31Å; L322-I324 PolarHBondContact O-N 3.13Å; I324-E326 PolarHBondContact O-N 3.18Å; I324-K327 PolarHBondContact O-N 3.44Å; I324-V328 HydrophobicContact CG2-CG2 4.4Å; I324-V328 WeakPolarHBondContact O-CG2 3.48Å; I324-V328 PolarHBondContact O-N 3.44Å |
| 325 | R | 92.4 | Very high | 92.4 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 179.1 | -75.4 | 179.1 | -174.5 | -75.9 | -5 | 112.1 | A295 A321 L322 K327 L329 D335 V336 Q339 | A295-R325 HydrophobicContact CB-CG 4.13Å; A321-R325 VanDerWaalsContact O-CG 3.31Å; A321-R325 WeakPolarHBondContact O-CG 3.35Å; A321-R325 PolarHBondContact O-N 3.25Å; A321-R325 VanDerWaalsContact O-N 3.08Å; L322-R325 PolarHBondContact O-N 3.04Å; L322-R325 VanDerWaalsContact O-N 3.12Å; R325-K327 VanDerWaalsContact C-N 3.34Å; R325-L329 VanDerWaalsContact O-CB 3.3Å; R325-L329 WeakPolarHBondContact O-CB 3.36Å; R325-L329 PolarHBondContact O-N 3.44Å; R325-D335 IonicContact NH1-OD2 2.84Å; R325-V336 HydrophobicContact CB-CG2 4.05Å; R325-Q339 VanDerWaalsContact NE-OE1 3.09Å |
| 326 | E | 93.6 | Very high | 92.5 | Very high | 41 Ų | 41 | 53.8 Ų | 53.8 | 19% | 0.192 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 175.9 | -72.5 | -179 | 169.1 | 0 | 0 | 111.8 | L322 E323 I324 G330 K331 V336 R362 | L322-E326 HydrophobicContact CD1-CG 4.35Å; L322-E326 HydrophobicContact CG-CG 4.41Å; L322-E326 WeakPolarHBondContact O-CG 3.31Å; L322-E326 PolarHBondContact O-N 3.32Å; E323-E326 PolarHBondContact O-N 3.44Å; I324-E326 PolarHBondContact O-N 3.18Å; E326-G330 CarbonylContact O-C 3.58Å; E326-G330 WeakPolarHBondContact O-CA 3.34Å; E326-G330 PolarHBondContact O-N 2.9Å; E326-K331 HydrophobicContact CB-CG 4.49Å; E326-V336 HydrophobicContact CG-CG1 3.82Å; E326-V336 HydrophobicContact CG-CG2 4.02Å; E326-R362 IonicContact OE1-CZ 3.04Å; E326-R362 IonicContact OE1-NH1 2.78Å; E326-R362 PolarHBondContact OE1-NH1 3.02Å; E326-R362 IonicContact OE1-NH2 3.27Å; E326-R362 PolarHBondContact OE1-NH2 3.43Å |
| 327 | K | 92.4 | Very high | 92.4 | Very high | 147 Ų | 147 | 50.2 Ų | 50.2 | 64% | 0.639 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67.8 | -40.7 | 178.6 | -171.7 | 177.2 | 179.6 | -179.2 | 0 | 112.6 | D290 E323 I324 R325 | D290-K327 IonicContact OD2-NZ 2.68Å; D290-K327 PolarHBondContact OD2-NZ 3.46Å; E323-K327 WeakPolarHBondContact O-CB 3.25Å; E323-K327 PolarHBondContact O-N 2.89Å; I324-K327 PolarHBondContact O-N 3.44Å; R325-K327 VanDerWaalsContact C-N 3.34Å |
| 328 | V | 90.5 | Very high | 92.3 | Very high | 70 Ų | 70 | 54.5 Ų | 54.5 | 42% | 0.424 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -86.3 | -40.9 | -175.6 | 179.5 | 0 | 0 | 0 | 0 | 112.8 | D290 P292 I324 | D290-V328 WeakPolarHBondContact O-CG2 3.44Å; P292-V328 HydrophobicContact CG-CB 4.48Å; P292-V328 HydrophobicContact CG-CG1 3.84Å; P292-V328 HydrophobicContact CG-CG2 4.42Å; I324-V328 HydrophobicContact CG2-CG2 4.4Å; I324-V328 WeakPolarHBondContact O-CG2 3.48Å; I324-V328 PolarHBondContact O-N 3.44Å |
| 329 | L | 88.8 | Confident | 92.2 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 36% | 0.356 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -104 | -13.5 | -171.6 | -55.4 | 171.6 | 0 | 0 | 0 | 113.2 | R325 H333 D335 | R325-L329 VanDerWaalsContact O-CB 3.3Å; R325-L329 WeakPolarHBondContact O-CB 3.36Å; R325-L329 PolarHBondContact O-N 3.44Å; L329-H333 HydrophobicContact CB-CB 3.71Å; L329-D335 HydrophobicContact CD1-CB 3.83Å |
| 330 | G | 90.7 | Very high | 92.2 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 34% | 0.34 | 25% | 0.252 | S | S | . | . | trans | 88.8 | 158.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113 | E326 D332 H333 V336 | E326-G330 CarbonylContact O-C 3.58Å; E326-G330 WeakPolarHBondContact O-CA 3.34Å; E326-G330 PolarHBondContact O-N 2.9Å; G330-D332 VanDerWaalsContact C-N 3.26Å; G330-D332 PolarHBondContact O-N 3.42Å; G330-H333 PolarHBondContact O-N 3Å; G330-V336 WeakPolarHBondContact O-CG2 3.43Å | ||
| 331 | K | 91.3 | Very high | 92.1 | Very high | 139 Ų | 139 | 48.9 Ų | 48.9 | 60% | 0.604 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -23.4 | -172.4 | -67.6 | -177.2 | 179 | -180 | 0 | 114.8 | E326 R362 I366 | E326-K331 HydrophobicContact CB-CG 4.49Å; K331-R362 PolarHBondContact O-NH2 3.32Å; K331-I366 WeakPolarHBondContact O-CD1 3.46Å |
| 332 | D | 90.5 | Very high | 92 | Very high | 90 Ų | 90 | 51 Ų | 51 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 20.6 | -173.8 | -49.7 | -34.9 | 0 | 0 | 0 | 112.5 | G330 I366 R370 | G330-D332 VanDerWaalsContact C-N 3.26Å; G330-D332 PolarHBondContact O-N 3.42Å; D332-I366 WeakPolarHBondContact O-CG2 3.32Å; D332-R370 VanDerWaalsContact O-CG 3.27Å; D332-R370 WeakPolarHBondContact O-CG 3.44Å; D332-R370 PolarHBondContact O-NE 3.24Å |
| 333 | H | 90.3 | Very high | 92 | Very high | 61 Ų | 61 | 50.4 Ų | 50.4 | 28% | 0.282 | 25% | 0.251 | S | S | . | . | trans | -81.5 | 141.7 | 179.6 | -170.5 | -91.7 | 0 | 0 | 0 | 111.4 | L329 G330 D335 V336 A337 | L329-H333 HydrophobicContact CB-CB 3.71Å; G330-H333 PolarHBondContact O-N 3Å; H333-D335 IonicContact CE1-OD2 3.77Å; H333-D335 WeakPolarHBondContact ND1-CB 3.44Å; H333-D335 PolarHBondContact ND1-N 3.49Å; H333-D335 IonicContact ND1-OD2 3.15Å; H333-D335 PolarHBondContact O-N 3.11Å; H333-D335 VanDerWaalsContact O-N 3.1Å; H333-V336 HydrophobicContact CB-CG2 4.27Å; H333-V336 WeakPolarHBondContact O-CA 3.43Å; H333-V336 VanDerWaalsContact O-CB 3.29Å; H333-V336 WeakPolarHBondContact O-CB 3.27Å; H333-V336 PolarHBondContact O-N 3.17Å; H333-A337 PolarHBondContact O-N 3.48Å | ||
| 334 | P | 91.3 | Very high | 92 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54 | -32.4 | 178.4 | -29.4 | 36.3 | 0 | 0 | 0 | 115 | V336 A337 K338 Y367 R370 L371 | P334-V336 VanDerWaalsContact C-N 3.31Å; P334-V336 PolarHBondContact O-N 3.07Å; P334-A337 WeakPolarHBondContact O-CB 3.33Å; P334-A337 PolarHBondContact O-N 2.75Å; P334-K338 PolarHBondContact O-N 3.38Å; P334-Y367 HydrophobicContact CB-CD1 4.45Å; P334-Y367 HydrophobicContact CB-CE1 4.21Å; P334-R370 HydrophobicContact CG-CB 4.08Å; P334-L371 HydrophobicContact CB-CD1 4.34Å; P334-L371 HydrophobicContact CG-CD2 4.04Å; P334-L371 HydrophobicContact CG-CG 4.28Å |
| 335 | D | 87.6 | Confident | 91.9 | Very high | 29 Ų | 29 | 48.2 Ų | 48.2 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.4 | -26.9 | 175 | -73.5 | -22.8 | 0 | 0 | 0 | 113.6 | R325 L329 H333 K338 Q339 | R325-D335 IonicContact NH1-OD2 2.84Å; L329-D335 HydrophobicContact CD1-CB 3.83Å; H333-D335 IonicContact CE1-OD2 3.77Å; H333-D335 WeakPolarHBondContact ND1-CB 3.44Å; H333-D335 PolarHBondContact ND1-N 3.49Å; H333-D335 IonicContact ND1-OD2 3.15Å; H333-D335 PolarHBondContact O-N 3.11Å; H333-D335 VanDerWaalsContact O-N 3.1Å; D335-K338 PolarHBondContact O-N 3.07Å; D335-Q339 WeakPolarHBondContact O-CB 3.4Å; D335-Q339 PolarHBondContact O-N 3.28Å |
| 336 | V | 93.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.5 | -43.6 | 170.5 | 174.8 | 0 | 0 | 0 | 0 | 109.1 | L322 R325 E326 G330 H333 P334 K338 Q339 L340 I366 | L322-V336 HydrophobicContact CD1-CG1 3.72Å; R325-V336 HydrophobicContact CB-CG2 4.05Å; E326-V336 HydrophobicContact CG-CG1 3.82Å; E326-V336 HydrophobicContact CG-CG2 4.02Å; G330-V336 WeakPolarHBondContact O-CG2 3.43Å; H333-V336 HydrophobicContact CB-CG2 4.27Å; H333-V336 WeakPolarHBondContact O-CA 3.43Å; H333-V336 VanDerWaalsContact O-CB 3.29Å; H333-V336 WeakPolarHBondContact O-CB 3.27Å; H333-V336 PolarHBondContact O-N 3.17Å; P334-V336 VanDerWaalsContact C-N 3.31Å; P334-V336 PolarHBondContact O-N 3.07Å; V336-K338 VanDerWaalsContact C-N 3.3Å; V336-K338 PolarHBondContact O-N 3.48Å; V336-Q339 WeakPolarHBondContact O-CB 3.16Å; V336-Q339 PolarHBondContact O-N 3.01Å; V336-Q339 VanDerWaalsContact O-N 3.12Å; V336-L340 HydrophobicContact CG1-CD1 4.04Å; V336-L340 HydrophobicContact CG1-CG 4.37Å; V336-L340 WeakPolarHBondContact O-CB 3.3Å; V336-L340 VanDerWaalsContact O-CG 3.31Å; V336-L340 WeakPolarHBondContact O-CG 3.19Å; V336-L340 PolarHBondContact O-N 2.88Å; V336-I366 HydrophobicContact CG1-CD1 4.26Å |
| 337 | A | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -37.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | H333 P334 L340 N341 A363 I366 Y367 | H333-A337 PolarHBondContact O-N 3.48Å; P334-A337 WeakPolarHBondContact O-CB 3.33Å; P334-A337 PolarHBondContact O-N 2.75Å; A337-L340 PolarHBondContact O-N 2.91Å; A337-N341 PolarHBondContact O-N 3.29Å; A337-N341 PolarHBondContact O-ND2 3.44Å; A337-A363 HydrophobicContact CB-CB 4.09Å; A337-A363 WeakPolarHBondContact O-CB 3.37Å; A337-I366 HydrophobicContact CB-CB 3.87Å; A337-I366 HydrophobicContact CB-CD1 4.3Å; A337-I366 HydrophobicContact CB-CG2 3.75Å; A337-Y367 HydrophobicContact CB-CD1 3.89Å; A337-Y367 HydrophobicContact CB-CD2 3.97Å; A337-Y367 HydrophobicContact CB-CE1 3.61Å; A337-Y367 HydrophobicContact CB-CE2 3.71Å; A337-Y367 HydrophobicContact CB-CG 4.06Å |
| 338 | K | 91.5 | Very high | 91.7 | Very high | 125 Ų | 125 | 38.6 Ų | 38.6 | 54% | 0.543 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.1 | -41.2 | 173.5 | -168.8 | 176.6 | 179.7 | 179.6 | 0 | 112 | P334 D335 V336 N341 N342 Y367 | P334-K338 PolarHBondContact O-N 3.38Å; D335-K338 PolarHBondContact O-N 3.07Å; V336-K338 VanDerWaalsContact C-N 3.3Å; V336-K338 PolarHBondContact O-N 3.48Å; K338-N341 PolarHBondContact O-N 2.7Å; K338-N342 PolarHBondContact O-N 3.43Å; K338-Y367 WeakPolarHBondContact CA-OH 3.49Å; K338-Y367 WeakPolarHBondContact CB-OH 3.48Å; K338-Y367 PolarHBondContact N-OH 3.17Å; K338-Y367 VanDerWaalsContact N-OH 3.14Å |
| 339 | Q | 92.2 | Very high | 91.7 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.4 | -41 | 176.5 | -166.9 | 63.4 | 56.2 | 0 | 0 | 111.9 | N299 C318 L322 R325 D335 V336 N341 N342 L343 | N299-Q339 PolarHBondContact OD1-NE2 3.48Å; N299-Q339 PolarHBondContact OD1-OE1 2.99Å; C318-Q339 PolarHBondContact SG-NE2 3.41Å; L322-Q339 HydrophobicContact CB-CG 3.86Å; L322-Q339 HydrophobicContact CD1-CB 3.97Å; L322-Q339 HydrophobicContact CD1-CG 3.99Å; R325-Q339 VanDerWaalsContact NE-OE1 3.09Å; D335-Q339 WeakPolarHBondContact O-CB 3.4Å; D335-Q339 PolarHBondContact O-N 3.28Å; V336-Q339 WeakPolarHBondContact O-CB 3.16Å; V336-Q339 PolarHBondContact O-N 3.01Å; V336-Q339 VanDerWaalsContact O-N 3.12Å; Q339-N341 VanDerWaalsContact C-N 3.35Å; Q339-N341 PolarHBondContact O-N 3.46Å; Q339-N342 PolarHBondContact O-N 3.02Å; Q339-N342 VanDerWaalsContact O-N 3.16Å; Q339-L343 PolarHBondContact O-N 3.29Å |
| 340 | L | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.9 | -42.4 | 174.7 | -74.9 | 168.2 | 0 | 0 | 0 | 111.8 | L322 V336 A337 N342 L343 A344 Y359 R362 A363 I366 | L322-L340 HydrophobicContact CD1-CD2 4Å; L322-L340 HydrophobicContact CD1-CG 3.87Å; L322-L340 HydrophobicContact CD2-CD2 3.72Å; V336-L340 HydrophobicContact CG1-CD1 4.04Å; V336-L340 HydrophobicContact CG1-CG 4.37Å; V336-L340 WeakPolarHBondContact O-CB 3.3Å; V336-L340 VanDerWaalsContact O-CG 3.31Å; V336-L340 WeakPolarHBondContact O-CG 3.19Å; V336-L340 PolarHBondContact O-N 2.88Å; A337-L340 PolarHBondContact O-N 2.91Å; L340-N342 VanDerWaalsContact C-N 3.32Å; L340-N342 PolarHBondContact O-N 2.99Å; L340-L343 PolarHBondContact O-N 2.9Å; L340-A344 WeakPolarHBondContact O-CB 3.09Å; L340-A344 PolarHBondContact O-N 3.43Å; L340-Y359 HydrophobicContact CD2-CD1 3.71Å; L340-Y359 HydrophobicContact CD2-CE1 4.49Å; L340-Y359 HydrophobicContact CD2-CG 4.37Å; L340-R362 HydrophobicContact CD1-CB 4.17Å; L340-R362 HydrophobicContact CD1-CG 3.77Å; L340-A363 HydrophobicContact CB-CB 3.93Å; L340-A363 HydrophobicContact CD1-CB 4.45Å; L340-I366 HydrophobicContact CD1-CD1 3.98Å |
| 341 | N | 93.3 | Very high | 91.7 | Very high | 14 Ų | 14 | 37.8 Ų | 37.8 | 8% | 0.075 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.9 | -43 | 173.4 | -90.4 | -77.5 | 0 | 0 | 0 | 112.4 | A337 K338 Q339 A344 L345 Y360 Y367 T381 | A337-N341 PolarHBondContact O-N 3.29Å; A337-N341 PolarHBondContact O-ND2 3.44Å; K338-N341 PolarHBondContact O-N 2.7Å; Q339-N341 VanDerWaalsContact C-N 3.35Å; Q339-N341 PolarHBondContact O-N 3.46Å; N341-A344 PolarHBondContact O-N 3.42Å; N341-L345 PolarHBondContact O-N 3.3Å; N341-Y360 HydrophobicContact CB-CE1 4.32Å; N341-Y360 VanDerWaalsContact OD1-CD1 3.26Å; N341-Y360 WeakPolarHBondContact OD1-CD1 3.36Å; N341-Y360 WeakPolarHBondContact OD1-CE1 3.37Å; N341-Y367 WeakPolarHBondContact ND2-CE2 3.43Å; N341-T381 PolarHBondContact ND2-OG1 3.46Å; N341-T381 PolarHBondContact OD1-OG1 3.06Å |
| 342 | N | 91.4 | Very high | 91.8 | Very high | 45 Ų | 45 | 34.4 Ų | 34.4 | 24% | 0.241 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.6 | -70.1 | -14.8 | 0 | 0 | 0 | 111.6 | N299 K338 Q339 L340 L345 L346 | N299-N342 PolarHBondContact OD1-ND2 2.9Å; K338-N342 PolarHBondContact O-N 3.43Å; Q339-N342 PolarHBondContact O-N 3.02Å; Q339-N342 VanDerWaalsContact O-N 3.16Å; L340-N342 VanDerWaalsContact C-N 3.32Å; L340-N342 PolarHBondContact O-N 2.99Å; N342-L345 PolarHBondContact O-N 3.33Å; N342-L346 WeakPolarHBondContact O-CG 3.48Å; N342-L346 PolarHBondContact O-N 3.48Å; N342-L346 VanDerWaalsContact O-N 3.15Å |
| 343 | L | 93.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 176 | -174.9 | 61.7 | 0 | 0 | 0 | 111.5 | E315 C318 K319 L322 Q339 L340 L345 L346 C347 Y359 | E315-L343 HydrophobicContact CG-CD1 4.17Å; C318-L343 HydrophobicContact CB-CD1 3.93Å; K319-L343 HydrophobicContact CG-CD1 3.92Å; K319-L343 HydrophobicContact CG-CD2 4.03Å; L322-L343 HydrophobicContact CD2-CD2 4.04Å; Q339-L343 PolarHBondContact O-N 3.29Å; L340-L343 PolarHBondContact O-N 2.9Å; L343-L345 VanDerWaalsContact C-N 3.33Å; L343-L345 PolarHBondContact O-N 2.9Å; L343-L346 WeakPolarHBondContact O-CB 3.34Å; L343-L346 PolarHBondContact O-N 2.53Å; L343-L346 VanDerWaalsContact O-N 3.14Å; L343-C347 PolarHBondContact O-N 2.94Å; L343-Y359 HydrophobicContact CD2-CD1 4.16Å; L343-Y359 HydrophobicContact CD2-CD2 4.17Å; L343-Y359 HydrophobicContact CD2-CE1 3.74Å; L343-Y359 HydrophobicContact CD2-CE2 3.77Å; L343-Y359 HydrophobicContact CD2-CG 4.38Å; L343-Y359 HydrophobicContact CG-CD2 4.03Å; L343-Y359 HydrophobicContact CG-CE2 3.8Å |
| 344 | A | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58 | -44.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L340 N341 L346 C347 Q348 V356 Y360 | L340-A344 WeakPolarHBondContact O-CB 3.09Å; L340-A344 PolarHBondContact O-N 3.43Å; N341-A344 PolarHBondContact O-N 3.42Å; A344-L346 VanDerWaalsContact C-N 3.32Å; A344-L346 PolarHBondContact O-N 3.22Å; A344-C347 PolarHBondContact O-N 2.94Å; A344-Q348 VanDerWaalsContact O-CB 3.32Å; A344-Q348 WeakPolarHBondContact O-CB 3.48Å; A344-Q348 PolarHBondContact O-N 3.1Å; A344-V356 HydrophobicContact CB-CG1 4.28Å; A344-V356 WeakPolarHBondContact O-CG2 3.19Å; A344-Y360 HydrophobicContact CB-CD1 3.73Å; A344-Y360 HydrophobicContact CB-CD2 3.9Å; A344-Y360 HydrophobicContact CB-CE1 3.5Å; A344-Y360 HydrophobicContact CB-CE2 3.71Å; A344-Y360 HydrophobicContact CB-CG 3.89Å; A344-Y360 VanDerWaalsContact CB-CZ 3.47Å |
| 345 | L | 91.1 | Very high | 91.9 | Very high | 82 Ų | 82 | 40.9 Ų | 40.9 | 43% | 0.429 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62 | -38.5 | 176.6 | -174.2 | 63.9 | 0 | 0 | 0 | 112.6 | N341 N342 L343 Q348 N349 | N341-L345 PolarHBondContact O-N 3.3Å; N342-L345 PolarHBondContact O-N 3.33Å; L343-L345 VanDerWaalsContact C-N 3.33Å; L343-L345 PolarHBondContact O-N 2.9Å; L345-Q348 PolarHBondContact O-N 3.21Å; L345-N349 PolarHBondContact O-N 2.92Å; L345-N349 PolarHBondContact O-ND2 2.68Å |
| 346 | L | 92.3 | Very high | 92.2 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66 | -44.2 | 175.3 | -69.4 | 173.8 | 0 | 0 | 0 | 111.9 | A302 Y311 A314 C318 N342 L343 A344 Q348 N349 Q350 | A302-L346 HydrophobicContact CB-CD1 4.31Å; Y311-L346 HydrophobicContact CD1-CD2 4.05Å; A314-L346 HydrophobicContact CB-CD1 3.87Å; A314-L346 HydrophobicContact CB-CD2 3.75Å; A314-L346 HydrophobicContact CB-CG 4.45Å; C318-L346 HydrophobicContact CB-CD1 3.65Å; N342-L346 WeakPolarHBondContact O-CG 3.48Å; N342-L346 PolarHBondContact O-N 3.48Å; N342-L346 VanDerWaalsContact O-N 3.15Å; L343-L346 WeakPolarHBondContact O-CB 3.34Å; L343-L346 PolarHBondContact O-N 2.53Å; L343-L346 VanDerWaalsContact O-N 3.14Å; A344-L346 VanDerWaalsContact C-N 3.32Å; A344-L346 PolarHBondContact O-N 3.22Å; L346-Q348 VanDerWaalsContact C-N 3.31Å; L346-Q348 PolarHBondContact O-N 3.06Å; L346-N349 PolarHBondContact O-N 3.47Å; L346-Q350 WeakPolarHBondContact O-CG 3.43Å; L346-Q350 PolarHBondContact O-N 3.11Å; L346-Q350 PolarHBondContact O-NE2 3.47Å |
| 347 | C | 92 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.7 | -34.7 | 176.1 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | L343 A344 N349 Q350 G351 K352 E355 V356 | L343-C347 PolarHBondContact O-N 2.94Å; A344-C347 PolarHBondContact O-N 2.94Å; C347-N349 VanDerWaalsContact C-N 3.35Å; C347-N349 PolarHBondContact O-N 3.04Å; C347-Q350 CarbonylContact O-C 3.54Å; C347-Q350 WeakPolarHBondContact O-CA 3.41Å; C347-Q350 WeakPolarHBondContact O-CB 3.16Å; C347-Q350 PolarHBondContact O-N 3.12Å; C347-Q350 VanDerWaalsContact O-N 3.07Å; C347-G351 PolarHBondContact O-N 3.02Å; C347-G351 VanDerWaalsContact O-N 3.15Å; C347-K352 HydrophobicContact CB-CB 4.18Å; C347-K352 PolarHBondContact O-N 3.2Å; C347-E355 HydrophobicContact CB-CB 4.44Å; C347-E355 PolarHBondContact SG-OE2 3.44Å; C347-E355 VanDerWaalsContact SG-OE2 3.38Å; C347-V356 HydrophobicContact CB-CG2 3.68Å |
| 348 | Q | 90.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.6 | -39.7 | 177.8 | -167 | -172.9 | 15.7 | 0 | 0 | 111.7 | A344 L345 L346 Q350 G351 Y353 V356 K391 | A344-Q348 VanDerWaalsContact O-CB 3.32Å; A344-Q348 WeakPolarHBondContact O-CB 3.48Å; A344-Q348 PolarHBondContact O-N 3.1Å; L345-Q348 PolarHBondContact O-N 3.21Å; L346-Q348 VanDerWaalsContact C-N 3.31Å; L346-Q348 PolarHBondContact O-N 3.06Å; Q348-Q350 PolarHBondContact O-N 2.87Å; Q348-G351 PolarHBondContact O-N 3.34Å; Q348-G351 VanDerWaalsContact O-N 3.15Å; Q348-Y353 HydrophobicContact CG-CE1 4.44Å; Q348-V356 VanDerWaalsContact CA-CG2 3.48Å; Q348-V356 HydrophobicContact CB-CG1 4.12Å; Q348-V356 HydrophobicContact CB-CG2 3.76Å; Q348-V356 HydrophobicContact CG-CG1 4.4Å; Q348-V356 HydrophobicContact CG-CG2 4.5Å; Q348-K391 HydrophobicContact CG-CD 4.27Å |
| 349 | N | 90 | Very high | 92.4 | Very high | 67 Ų | 67 | 44.1 Ų | 44.1 | 36% | 0.358 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -71.9 | -16.1 | 175.8 | -67.6 | -30.2 | 0 | 0 | 0 | 113.2 | Y311 L345 L346 C347 | Y311-N349 HydrophobicContact CD1-CB 3.81Å; Y311-N349 HydrophobicContact CD2-CB 3.96Å; Y311-N349 HydrophobicContact CE1-CB 3.61Å; Y311-N349 WeakPolarHBondContact CE1-ND2 3.16Å; Y311-N349 HydrophobicContact CE2-CB 3.76Å; Y311-N349 HydrophobicContact CG-CB 3.98Å; L345-N349 PolarHBondContact O-N 2.92Å; L345-N349 PolarHBondContact O-ND2 2.68Å; L346-N349 PolarHBondContact O-N 3.47Å; C347-N349 VanDerWaalsContact C-N 3.35Å; C347-N349 PolarHBondContact O-N 3.04Å |
| 350 | Q | 91 | Very high | 92.5 | Very high | 51 Ų | 51 | 44 Ų | 44 | 24% | 0.238 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -6.1 | 171.4 | -65.7 | -178.5 | 71.8 | 0 | 0 | 113.2 | Y311 E315 L346 C347 Q348 K352 | Y311-Q350 HydrophobicContact CG-CG 4.42Å; E315-Q350 PolarHBondContact OE2-NE2 3.26Å; E315-Q350 PolarHBondContact OE2-OE1 3.4Å; L346-Q350 WeakPolarHBondContact O-CG 3.43Å; L346-Q350 PolarHBondContact O-N 3.11Å; L346-Q350 PolarHBondContact O-NE2 3.47Å; C347-Q350 CarbonylContact O-C 3.54Å; C347-Q350 WeakPolarHBondContact O-CA 3.41Å; C347-Q350 WeakPolarHBondContact O-CB 3.16Å; C347-Q350 PolarHBondContact O-N 3.12Å; C347-Q350 VanDerWaalsContact O-N 3.07Å; Q348-Q350 PolarHBondContact O-N 2.87Å; Q350-K352 VanDerWaalsContact C-N 3.34Å; Q350-K352 HydrophobicContact CB-CD 4.38Å; Q350-K352 HydrophobicContact CB-CG 4.2Å |
| 351 | G | 90 | Very high | 92.5 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 37% | 0.371 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 13.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | C347 Q348 Y353 | C347-G351 PolarHBondContact O-N 3.02Å; C347-G351 VanDerWaalsContact O-N 3.15Å; Q348-G351 PolarHBondContact O-N 3.34Å; Q348-G351 VanDerWaalsContact O-N 3.15Å; G351-Y353 VanDerWaalsContact C-N 3.28Å; G351-Y353 VanDerWaalsContact O-CD2 3.25Å; G351-Y353 WeakPolarHBondContact O-CD2 3.12Å; G351-Y353 PolarHBondContact O-N 3.2Å |
| 352 | K | 93.3 | Very high | 92.6 | Very high | 68 Ų | 68 | 48.1 Ų | 48.1 | 30% | 0.296 | 24% | 0.235 | S | C | . | . | trans | -82.9 | 65.4 | 178.8 | -63.2 | 176.2 | 174.2 | -175 | 0 | 111.4 | E315 C347 Q350 E354 E355 V356 | E315-K352 VanDerWaalsContact CD-NZ 3.33Å; E315-K352 IonicContact OE1-NZ 3.5Å; E315-K352 PolarHBondContact OE1-NZ 3.48Å; E315-K352 VanDerWaalsContact OE1-NZ 3.13Å; E315-K352 IonicContact OE2-NZ 3.13Å; E315-K352 PolarHBondContact OE2-NZ 3.15Å; C347-K352 HydrophobicContact CB-CB 4.18Å; C347-K352 PolarHBondContact O-N 3.2Å; Q350-K352 VanDerWaalsContact C-N 3.34Å; Q350-K352 HydrophobicContact CB-CD 4.38Å; Q350-K352 HydrophobicContact CB-CG 4.2Å; K352-E354 VanDerWaalsContact C-N 3.35Å; K352-E354 PolarHBondContact O-N 3.13Å; K352-E355 HydrophobicContact CB-CB 4.41Å; K352-E355 IonicContact NZ-OE1 3.07Å; K352-E355 PolarHBondContact O-N 3.42Å; K352-V356 VanDerWaalsContact O-CG2 3.23Å; K352-V356 WeakPolarHBondContact O-CG2 3.41Å; K352-V356 PolarHBondContact O-N 3.46Å | ||
| 353 | Y | 91 | Very high | 92.7 | Very high | 80 Ų | 80 | 46 Ų | 46 | 31% | 0.314 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.5 | -32.1 | -166.4 | -65.7 | -65.5 | 0 | 0 | 0 | 115.4 | Q348 G351 V356 E357 K391 Q392 | Q348-Y353 HydrophobicContact CG-CE1 4.44Å; G351-Y353 VanDerWaalsContact C-N 3.28Å; G351-Y353 VanDerWaalsContact O-CD2 3.25Å; G351-Y353 WeakPolarHBondContact O-CD2 3.12Å; G351-Y353 PolarHBondContact O-N 3.2Å; Y353-V356 WeakPolarHBondContact O-CB 3.08Å; Y353-V356 PolarHBondContact O-N 3.04Å; Y353-E357 PolarHBondContact O-N 3.22Å; Y353-E357 VanDerWaalsContact O-N 3.07Å; Y353-K391 HydrophobicContact CE1-CB 3.84Å; Y353-K391 HydrophobicContact CE1-CD 4.26Å; Y353-Q392 HydrophobicContact CD1-CG 3.85Å; Y353-Q392 HydrophobicContact CD2-CG 4.28Å; Y353-Q392 HydrophobicContact CG-CG 3.71Å |
| 354 | E | 90.4 | Very high | 92.7 | Very high | 174 Ų | 174 | 46.9 Ų | 46.9 | 81% | 0.813 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -64.3 | -45.3 | 177 | -65.9 | 170.6 | -176.1 | 0 | 0 | 111.8 | K352 V356 E357 Y358 | K352-E354 VanDerWaalsContact C-N 3.35Å; K352-E354 PolarHBondContact O-N 3.13Å; E354-V356 VanDerWaalsContact C-N 3.28Å; E354-V356 PolarHBondContact O-N 3.13Å; E354-E357 PolarHBondContact O-N 3.43Å; E354-Y358 PolarHBondContact O-N 3.5Å; E354-Y358 VanDerWaalsContact O-N 3.12Å |
| 355 | E | 92.1 | Very high | 92.8 | Very high | 61 Ų | 61 | 52.9 Ų | 52.9 | 29% | 0.285 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 175.3 | -69.2 | -172.5 | -147 | 0 | 0 | 111.7 | C347 K352 Y358 Y359 | C347-E355 HydrophobicContact CB-CB 4.44Å; C347-E355 PolarHBondContact SG-OE2 3.44Å; C347-E355 VanDerWaalsContact SG-OE2 3.38Å; K352-E355 HydrophobicContact CB-CB 4.41Å; K352-E355 IonicContact NZ-OE1 3.07Å; K352-E355 PolarHBondContact O-N 3.42Å; E355-Y358 PolarHBondContact O-N 3.04Å; E355-Y359 HydrophobicContact CB-CD2 4.29Å; E355-Y359 HydrophobicContact CB-CE2 3.78Å; E355-Y359 WeakPolarHBondContact O-CD2 3.42Å; E355-Y359 VanDerWaalsContact O-CG 3.26Å; E355-Y359 PolarHBondContact O-N 3.06Å; E355-Y359 PolarHBondContact OE2-OH 2.83Å |
| 356 | V | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -45.2 | -180 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | A344 C347 Q348 K352 Y353 E354 Y359 Y360 C388 | A344-V356 HydrophobicContact CB-CG1 4.28Å; A344-V356 WeakPolarHBondContact O-CG2 3.19Å; C347-V356 HydrophobicContact CB-CG2 3.68Å; Q348-V356 VanDerWaalsContact CA-CG2 3.48Å; Q348-V356 HydrophobicContact CB-CG1 4.12Å; Q348-V356 HydrophobicContact CB-CG2 3.76Å; Q348-V356 HydrophobicContact CG-CG1 4.4Å; Q348-V356 HydrophobicContact CG-CG2 4.5Å; K352-V356 VanDerWaalsContact O-CG2 3.23Å; K352-V356 WeakPolarHBondContact O-CG2 3.41Å; K352-V356 PolarHBondContact O-N 3.46Å; Y353-V356 WeakPolarHBondContact O-CB 3.08Å; Y353-V356 PolarHBondContact O-N 3.04Å; E354-V356 VanDerWaalsContact C-N 3.28Å; E354-V356 PolarHBondContact O-N 3.13Å; V356-Y359 PolarHBondContact O-N 3.49Å; V356-Y360 HydrophobicContact CG1-CD2 3.48Å; V356-Y360 VanDerWaalsContact CG1-CD2 3.48Å; V356-Y360 HydrophobicContact CG1-CE2 3.35Å; V356-Y360 WeakPolarHBondContact O-CB 3.46Å; V356-Y360 WeakPolarHBondContact O-CD2 2.87Å; V356-Y360 PolarHBondContact O-N 2.85Å; V356-C388 HydrophobicContact CG1-CB 3.95Å; V356-C388 WeakPolarHBondContact CG1-SG 3.32Å |
| 357 | E | 92.7 | Very high | 93 | Very high | 57 Ų | 57 | 49.1 Ų | 49.1 | 27% | 0.266 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.8 | -49.2 | 176.3 | -171 | 173.6 | 153.2 | 0 | 0 | 110.2 | Y353 E354 Y359 Y360 C361 L385 F389 K394 | Y353-E357 PolarHBondContact O-N 3.22Å; Y353-E357 VanDerWaalsContact O-N 3.07Å; E354-E357 PolarHBondContact O-N 3.43Å; E357-Y359 PolarHBondContact O-N 3Å; E357-Y360 PolarHBondContact O-N 3.39Å; E357-C361 VanDerWaalsContact O-CB 3.31Å; E357-C361 WeakPolarHBondContact O-CB 3.24Å; E357-C361 PolarHBondContact O-N 3.22Å; E357-C361 PolarHBondContact O-SG 3.22Å; E357-L385 HydrophobicContact CG-CD1 4.37Å; E357-F389 HydrophobicContact CG-CE1 4Å; E357-F389 HydrophobicContact CG-CZ 4.31Å; E357-K394 IonicContact OE1-NZ 3.28Å; E357-K394 IonicContact OE2-NZ 2.62Å; E357-K394 PolarHBondContact OE2-NZ 3.14Å |
| 358 | Y | 94.4 | Very high | 93 | Very high | 140 Ų | 140 | 52.5 Ų | 52.5 | 55% | 0.549 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.5 | -50.1 | 176.1 | 173.4 | -104.2 | 0 | 0 | 0 | 112.9 | E354 E355 R362 | E354-Y358 PolarHBondContact O-N 3.5Å; E354-Y358 VanDerWaalsContact O-N 3.12Å; E355-Y358 PolarHBondContact O-N 3.04Å; Y358-R362 WeakPolarHBondContact O-CB 3.37Å; Y358-R362 PolarHBondContact O-N 3.24Å |
| 359 | Y | 95.6 | Very high | 92.9 | Very high | 25 Ų | 25 | 57 Ų | 57 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68 | -39.1 | -177.8 | -63.9 | -44.4 | 0 | 0 | 0 | 113 | L340 L343 E355 V356 E357 A363 | L340-Y359 HydrophobicContact CD2-CD1 3.71Å; L340-Y359 HydrophobicContact CD2-CE1 4.49Å; L340-Y359 HydrophobicContact CD2-CG 4.37Å; L343-Y359 HydrophobicContact CD2-CD1 4.16Å; L343-Y359 HydrophobicContact CD2-CD2 4.17Å; L343-Y359 HydrophobicContact CD2-CE1 3.74Å; L343-Y359 HydrophobicContact CD2-CE2 3.77Å; L343-Y359 HydrophobicContact CD2-CG 4.38Å; L343-Y359 HydrophobicContact CG-CD2 4.03Å; L343-Y359 HydrophobicContact CG-CE2 3.8Å; E355-Y359 HydrophobicContact CB-CD2 4.29Å; E355-Y359 HydrophobicContact CB-CE2 3.78Å; E355-Y359 WeakPolarHBondContact O-CD2 3.42Å; E355-Y359 VanDerWaalsContact O-CG 3.26Å; E355-Y359 PolarHBondContact O-N 3.06Å; E355-Y359 PolarHBondContact OE2-OH 2.83Å; V356-Y359 PolarHBondContact O-N 3.49Å; E357-Y359 PolarHBondContact O-N 3Å; Y359-A363 VanDerWaalsContact O-CB 3.32Å; Y359-A363 WeakPolarHBondContact O-CB 3.47Å; Y359-A363 PolarHBondContact O-N 3.46Å |
| 360 | Y | 95.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71 | -39.7 | 176.9 | -78.8 | -45.2 | 0 | 0 | 0 | 112.3 | N341 A344 V356 E357 A363 L364 T381 N384 L385 | N341-Y360 HydrophobicContact CB-CE1 4.32Å; N341-Y360 VanDerWaalsContact OD1-CD1 3.26Å; N341-Y360 WeakPolarHBondContact OD1-CD1 3.36Å; N341-Y360 WeakPolarHBondContact OD1-CE1 3.37Å; A344-Y360 HydrophobicContact CB-CD1 3.73Å; A344-Y360 HydrophobicContact CB-CD2 3.9Å; A344-Y360 HydrophobicContact CB-CE1 3.5Å; A344-Y360 HydrophobicContact CB-CE2 3.71Å; A344-Y360 HydrophobicContact CB-CG 3.89Å; A344-Y360 VanDerWaalsContact CB-CZ 3.47Å; V356-Y360 HydrophobicContact CG1-CD2 3.48Å; V356-Y360 VanDerWaalsContact CG1-CD2 3.48Å; V356-Y360 HydrophobicContact CG1-CE2 3.35Å; V356-Y360 WeakPolarHBondContact O-CB 3.46Å; V356-Y360 WeakPolarHBondContact O-CD2 2.87Å; V356-Y360 PolarHBondContact O-N 2.85Å; E357-Y360 PolarHBondContact O-N 3.39Å; Y360-A363 PolarHBondContact O-N 2.92Å; Y360-L364 VanDerWaalsContact O-CB 3.3Å; Y360-L364 WeakPolarHBondContact O-CB 3.46Å; Y360-L364 PolarHBondContact O-N 3.42Å; Y360-T381 HydrophobicContact CD1-CG2 4.14Å; Y360-N384 HydrophobicContact CD1-CB 4.22Å; Y360-N384 HydrophobicContact CE1-CB 3.58Å; Y360-N384 HydrophobicContact CE2-CB 4.06Å; Y360-L385 HydrophobicContact CD2-CB 4.39Å; Y360-L385 HydrophobicContact CD2-CD1 4.36Å; Y360-L385 HydrophobicContact CG-CB 4.39Å |
| 361 | C | 93.7 | Very high | 92.8 | Very high | 56 Ų | 56 | 62.4 Ų | 62.4 | 38% | 0.378 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 174.5 | -71.5 | 0 | 0 | 0 | 0 | 110.9 | E357 A363 L364 E365 | E357-C361 VanDerWaalsContact O-CB 3.31Å; E357-C361 WeakPolarHBondContact O-CB 3.24Å; E357-C361 PolarHBondContact O-N 3.22Å; E357-C361 PolarHBondContact O-SG 3.22Å; C361-A363 VanDerWaalsContact C-N 3.34Å; C361-A363 PolarHBondContact O-N 3.38Å; C361-L364 WeakPolarHBondContact O-CB 3.46Å; C361-L364 PolarHBondContact O-N 3.36Å; C361-E365 PolarHBondContact O-N 3.48Å |
| 362 | R | 95.1 | Very high | 92.7 | Very high | 45 Ų | 45 | 61.7 Ų | 61.7 | 17% | 0.17 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.5 | -41 | 175.6 | -172.5 | -179.6 | 170.4 | -147.7 | -10.6 | 112.4 | E326 K331 L340 Y358 L364 I366 | E326-R362 IonicContact OE1-CZ 3.04Å; E326-R362 IonicContact OE1-NH1 2.78Å; E326-R362 PolarHBondContact OE1-NH1 3.02Å; E326-R362 IonicContact OE1-NH2 3.27Å; E326-R362 PolarHBondContact OE1-NH2 3.43Å; K331-R362 PolarHBondContact O-NH2 3.32Å; L340-R362 HydrophobicContact CD1-CB 4.17Å; L340-R362 HydrophobicContact CD1-CG 3.77Å; Y358-R362 WeakPolarHBondContact O-CB 3.37Å; Y358-R362 PolarHBondContact O-N 3.24Å; R362-L364 VanDerWaalsContact C-N 3.34Å; R362-I366 HydrophobicContact CG-CD1 4.38Å; R362-I366 VanDerWaalsContact O-CG1 3.3Å; R362-I366 WeakPolarHBondContact O-CG1 3.38Å; R362-I366 PolarHBondContact O-N 3.36Å |
| 363 | A | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A337 L340 Y359 Y360 C361 Y367 T381 | A337-A363 HydrophobicContact CB-CB 4.09Å; A337-A363 WeakPolarHBondContact O-CB 3.37Å; L340-A363 HydrophobicContact CB-CB 3.93Å; L340-A363 HydrophobicContact CD1-CB 4.45Å; Y359-A363 VanDerWaalsContact O-CB 3.32Å; Y359-A363 WeakPolarHBondContact O-CB 3.47Å; Y359-A363 PolarHBondContact O-N 3.46Å; Y360-A363 PolarHBondContact O-N 2.92Å; C361-A363 VanDerWaalsContact C-N 3.34Å; C361-A363 PolarHBondContact O-N 3.38Å; A363-Y367 WeakPolarHBondContact O-CD2 3.41Å; A363-Y367 PolarHBondContact O-N 3.31Å; A363-Y367 VanDerWaalsContact O-N 3.1Å; A363-T381 HydrophobicContact CB-CG2 4.15Å |
| 364 | L | 94.1 | Very high | 92 | Very high | 20 Ų | 20 | 61.4 Ų | 61.4 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.5 | -47.3 | 178.7 | -175.5 | 66.5 | 0 | 0 | 0 | 111.1 | Y360 C361 R362 I366 Y367 E368 V378 T381 K382 | Y360-L364 VanDerWaalsContact O-CB 3.3Å; Y360-L364 WeakPolarHBondContact O-CB 3.46Å; Y360-L364 PolarHBondContact O-N 3.42Å; C361-L364 WeakPolarHBondContact O-CB 3.46Å; C361-L364 PolarHBondContact O-N 3.36Å; R362-L364 VanDerWaalsContact C-N 3.34Å; L364-I366 VanDerWaalsContact C-N 3.32Å; L364-I366 PolarHBondContact O-N 3.34Å; L364-Y367 PolarHBondContact O-N 3.25Å; L364-Y367 VanDerWaalsContact O-N 3.15Å; L364-E368 HydrophobicContact CD1-CG 4.25Å; L364-E368 HydrophobicContact CG-CG 4.34Å; L364-E368 WeakPolarHBondContact O-CB 3.38Å; L364-E368 WeakPolarHBondContact O-CG 3.22Å; L364-E368 PolarHBondContact O-N 3.25Å; L364-V378 HydrophobicContact CD1-CG1 3.8Å; L364-T381 HydrophobicContact CB-CG2 4.06Å; L364-T381 HydrophobicContact CD1-CG2 4.4Å; L364-K382 HydrophobicContact CD1-CD 4.33Å; L364-K382 HydrophobicContact CD1-CG 3.56Å; L364-K382 HydrophobicContact CD2-CG 4Å; L364-K382 HydrophobicContact CG-CG 4.46Å |
| 365 | E | 94 | Very high | 91.9 | Very high | 125 Ų | 125 | 54.9 Ų | 54.9 | 58% | 0.584 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -54.9 | -47.6 | 176.5 | -177 | 178.3 | -165.5 | 0 | 0 | 111.3 | C361 Y367 E368 C369 | C361-E365 PolarHBondContact O-N 3.48Å; E365-Y367 PolarHBondContact O-N 3.21Å; E365-E368 PolarHBondContact O-N 3.06Å; E365-C369 WeakPolarHBondContact O-CB 3.43Å; E365-C369 PolarHBondContact O-N 3.34Å; E365-C369 PolarHBondContact O-SG 3.03Å; E365-C369 VanDerWaalsContact O-SG 3.35Å |
| 366 | I | 94 | Very high | 91.7 | Very high | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 177.7 | -66 | 167.8 | 0 | 0 | 0 | 111.4 | K331 D332 V336 A337 L340 R362 L364 R370 | K331-I366 WeakPolarHBondContact O-CD1 3.46Å; D332-I366 WeakPolarHBondContact O-CG2 3.32Å; V336-I366 HydrophobicContact CG1-CD1 4.26Å; A337-I366 HydrophobicContact CB-CB 3.87Å; A337-I366 HydrophobicContact CB-CD1 4.3Å; A337-I366 HydrophobicContact CB-CG2 3.75Å; L340-I366 HydrophobicContact CD1-CD1 3.98Å; R362-I366 HydrophobicContact CG-CD1 4.38Å; R362-I366 VanDerWaalsContact O-CG1 3.3Å; R362-I366 WeakPolarHBondContact O-CG1 3.38Å; R362-I366 PolarHBondContact O-N 3.36Å; L364-I366 VanDerWaalsContact C-N 3.32Å; L364-I366 PolarHBondContact O-N 3.34Å; I366-R370 HydrophobicContact CG2-CG 4.39Å; I366-R370 VanDerWaalsContact O-CB 3.25Å; I366-R370 WeakPolarHBondContact O-CB 3.37Å; I366-R370 WeakPolarHBondContact O-CG 3.45Å; I366-R370 PolarHBondContact O-N 3.28Å |
| 367 | Y | 94.3 | Very high | 91.5 | Very high | 10 Ų | 10 | 58 Ų | 58 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.1 | -42.4 | -179.9 | -73.2 | -45.4 | 0 | 0 | 0 | 112.6 | P334 A337 K338 N341 A363 L364 E365 R370 L371 G372 N377 T381 | P334-Y367 HydrophobicContact CB-CD1 4.45Å; P334-Y367 HydrophobicContact CB-CE1 4.21Å; A337-Y367 HydrophobicContact CB-CD1 3.89Å; A337-Y367 HydrophobicContact CB-CD2 3.97Å; A337-Y367 HydrophobicContact CB-CE1 3.61Å; A337-Y367 HydrophobicContact CB-CE2 3.71Å; A337-Y367 HydrophobicContact CB-CG 4.06Å; K338-Y367 WeakPolarHBondContact CA-OH 3.49Å; K338-Y367 WeakPolarHBondContact CB-OH 3.48Å; K338-Y367 PolarHBondContact N-OH 3.17Å; K338-Y367 VanDerWaalsContact N-OH 3.14Å; N341-Y367 WeakPolarHBondContact ND2-CE2 3.43Å; A363-Y367 WeakPolarHBondContact O-CD2 3.41Å; A363-Y367 PolarHBondContact O-N 3.31Å; A363-Y367 VanDerWaalsContact O-N 3.1Å; L364-Y367 PolarHBondContact O-N 3.25Å; L364-Y367 VanDerWaalsContact O-N 3.15Å; E365-Y367 PolarHBondContact O-N 3.21Å; Y367-R370 PolarHBondContact O-N 2.85Å; Y367-L371 HydrophobicContact CD1-CD1 3.57Å; Y367-L371 HydrophobicContact CD1-CG 4.41Å; Y367-L371 HydrophobicContact CE1-CD1 4.08Å; Y367-L371 WeakPolarHBondContact O-CB 3.3Å; Y367-L371 PolarHBondContact O-N 3.38Å; Y367-G372 PolarHBondContact O-N 3.34Å; Y367-N377 HydrophobicContact CD1-CB 4.09Å; Y367-N377 HydrophobicContact CD2-CB 3.99Å; Y367-N377 HydrophobicContact CE1-CB 3.88Å; Y367-N377 HydrophobicContact CE2-CB 3.76Å; Y367-N377 HydrophobicContact CG-CB 4.14Å; Y367-T381 WeakPolarHBondContact CD2-OG1 3.39Å; Y367-T381 WeakPolarHBondContact CE2-OG1 3.43Å |
| 368 | E | 91.6 | Very high | 91.5 | Very high | 71 Ų | 71 | 55.4 Ų | 55.4 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 178.6 | -72.9 | -178.8 | 160.8 | 0 | 0 | 111.3 | L364 E365 G372 V378 K382 | L364-E368 HydrophobicContact CD1-CG 4.25Å; L364-E368 HydrophobicContact CG-CG 4.34Å; L364-E368 WeakPolarHBondContact O-CB 3.38Å; L364-E368 WeakPolarHBondContact O-CG 3.22Å; L364-E368 PolarHBondContact O-N 3.25Å; E365-E368 PolarHBondContact O-N 3.06Å; E368-G372 WeakPolarHBondContact O-CA 3.4Å; E368-G372 PolarHBondContact O-N 3.05Å; E368-V378 HydrophobicContact CG-CG1 3.9Å; E368-V378 HydrophobicContact CG-CG2 4.01Å; E368-K382 WeakPolarHBondContact OE1-CE 3.41Å; E368-K382 IonicContact OE1-NZ 2.68Å; E368-K382 PolarHBondContact OE1-NZ 3.5Å; E368-K382 VanDerWaalsContact OE1-NZ 3.14Å |
| 369 | C | 89.8 | Confident | 91.3 | Very high | 105 Ų | 105 | 49.8 Ų | 49.8 | 71% | 0.709 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -70.7 | -35.4 | 178.4 | -69.9 | 0 | 0 | 0 | 0 | 113.8 | E365 | E365-C369 WeakPolarHBondContact O-CB 3.43Å; E365-C369 PolarHBondContact O-N 3.34Å; E365-C369 PolarHBondContact O-SG 3.03Å; E365-C369 VanDerWaalsContact O-SG 3.35Å |
| 370 | R | 90.6 | Very high | 91.1 | Very high | 154 Ų | 154 | 53.3 Ų | 53.3 | 58% | 0.581 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -97.4 | -39.4 | -171.8 | -66.6 | -66.5 | -167.6 | 155.3 | -4.2 | 115 | D332 P334 I366 Y367 | D332-R370 VanDerWaalsContact O-CG 3.27Å; D332-R370 WeakPolarHBondContact O-CG 3.44Å; D332-R370 PolarHBondContact O-NE 3.24Å; P334-R370 HydrophobicContact CG-CB 4.08Å; I366-R370 HydrophobicContact CG2-CG 4.39Å; I366-R370 VanDerWaalsContact O-CB 3.25Å; I366-R370 WeakPolarHBondContact O-CB 3.37Å; I366-R370 WeakPolarHBondContact O-CG 3.45Å; I366-R370 PolarHBondContact O-N 3.28Å; Y367-R370 PolarHBondContact O-N 2.85Å |
| 371 | L | 87.5 | Confident | 91 | Very high | 76 Ų | 76 | 53.4 Ų | 53.4 | 40% | 0.398 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -105.3 | -17.7 | -174.7 | -56.9 | 178.6 | 0 | 0 | 0 | 112.1 | P334 Y367 D375 | P334-L371 HydrophobicContact CB-CD1 4.34Å; P334-L371 HydrophobicContact CG-CD2 4.04Å; P334-L371 HydrophobicContact CG-CG 4.28Å; Y367-L371 HydrophobicContact CD1-CD1 3.57Å; Y367-L371 HydrophobicContact CD1-CG 4.41Å; Y367-L371 HydrophobicContact CE1-CD1 4.08Å; Y367-L371 WeakPolarHBondContact O-CB 3.3Å; Y367-L371 PolarHBondContact O-N 3.38Å; L371-D375 HydrophobicContact CB-CB 3.69Å; L371-D375 HydrophobicContact CD1-CB 4.34Å |
| 372 | G | 87.5 | Confident | 91.1 | Very high | 21 Ų | 21 | 52 Ų | 52 | 22% | 0.216 | 27% | 0.272 | C | S | . | . | trans | 88.5 | 165.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y367 E368 D374 D375 | Y367-G372 PolarHBondContact O-N 3.34Å; E368-G372 WeakPolarHBondContact O-CA 3.4Å; E368-G372 PolarHBondContact O-N 3.05Å; G372-D374 PolarHBondContact O-N 2.82Å; G372-D375 PolarHBondContact O-N 3.25Å | ||
| 373 | P | 85.4 | Confident | 91 | Very high | 72 Ų | 72 | 50.4 Ų | 50.4 | 47% | 0.468 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -14.8 | -171.8 | 27.5 | -35.5 | 0 | 0 | 0 | 114.5 | ||
| 374 | D | 84.8 | Confident | 90.9 | Very high | 71 Ų | 71 | 53.5 Ų | 53.5 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -10.2 | 178.3 | -89.6 | -45.2 | 0 | 0 | 0 | 114.5 | G372 R408 | G372-D374 PolarHBondContact O-N 2.82Å; D374-R408 VanDerWaalsContact CG-NH1 3.34Å; D374-R408 IonicContact OD1-CZ 2.92Å; D374-R408 IonicContact OD1-NH1 3.92Å; D374-R408 PolarHBondContact OD1-NH1 2.99Å; D374-R408 IonicContact OD1-NH2 2.76Å; D374-R408 PolarHBondContact OD1-NH2 3.38Å; D374-R408 VanDerWaalsContact OD1-NH2 3.13Å; D374-R408 IonicContact OD2-CZ 2.73Å; D374-R408 IonicContact OD2-NH1 2.95Å; D374-R408 IonicContact OD2-NH2 3.67Å; D374-R408 PolarHBondContact OD2-NH2 2.99Å |
| 375 | D | 87.9 | Confident | 90.9 | Very high | 36 Ų | 36 | 52.9 Ų | 52.9 | 19% | 0.193 | 28% | 0.281 | C | S | . | . | trans | -68.7 | 136.1 | -171.4 | -173.9 | -92.6 | 0 | 0 | 0 | 111.4 | L371 G372 N377 V378 A379 | L371-D375 HydrophobicContact CB-CB 3.69Å; L371-D375 HydrophobicContact CD1-CB 4.34Å; G372-D375 PolarHBondContact O-N 3.25Å; D375-N377 PolarHBondContact O-N 2.84Å; D375-N377 WeakPolarHBondContact OD1-CA 3.2Å; D375-N377 WeakPolarHBondContact OD1-CB 3.43Å; D375-N377 VanDerWaalsContact OD1-CG 3.25Å; D375-N377 PolarHBondContact OD1-N 2.88Å; D375-N377 PolarHBondContact OD1-ND2 3.17Å; D375-V378 HydrophobicContact CB-CG2 4.25Å; D375-V378 WeakPolarHBondContact O-CB 3.44Å; D375-V378 PolarHBondContact O-N 3.46Å; D375-A379 PolarHBondContact O-N 3.26Å | ||
| 376 | P | 88.1 | Confident | 90.9 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 47% | 0.468 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.1 | -26.4 | 177.9 | -27.4 | 35.5 | 0 | 0 | 0 | 114.4 | K380 | P376-K380 WeakPolarHBondContact O-CB 3.38Å; P376-K380 VanDerWaalsContact O-CG 3.26Å; P376-K380 WeakPolarHBondContact O-CG 3.47Å; P376-K380 PolarHBondContact O-N 3.33Å |
| 377 | N | 89.7 | Confident | 90.8 | Very high | 54 Ų | 54 | 48.7 Ų | 48.7 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -73.7 | -29.1 | 178.1 | -56.5 | -58.7 | 0 | 0 | 0 | 112.5 | Y367 D375 K380 T381 | Y367-N377 HydrophobicContact CD1-CB 4.09Å; Y367-N377 HydrophobicContact CD2-CB 3.99Å; Y367-N377 HydrophobicContact CE1-CB 3.88Å; Y367-N377 HydrophobicContact CE2-CB 3.76Å; Y367-N377 HydrophobicContact CG-CB 4.14Å; D375-N377 PolarHBondContact O-N 2.84Å; D375-N377 WeakPolarHBondContact OD1-CA 3.2Å; D375-N377 WeakPolarHBondContact OD1-CB 3.43Å; D375-N377 VanDerWaalsContact OD1-CG 3.25Å; D375-N377 PolarHBondContact OD1-N 2.88Å; D375-N377 PolarHBondContact OD1-ND2 3.17Å; N377-K380 PolarHBondContact O-N 2.96Å; N377-T381 VanDerWaalsContact O-CB 3.31Å; N377-T381 WeakPolarHBondContact O-CB 3.47Å; N377-T381 PolarHBondContact O-N 3.02Å; N377-T381 PolarHBondContact O-OG1 2.84Å |
| 378 | V | 92.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.2 | -53.1 | 170.6 | 175.5 | 0 | 0 | 0 | 0 | 109.1 | L364 E368 D375 K380 T381 K382 | L364-V378 HydrophobicContact CD1-CG1 3.8Å; E368-V378 HydrophobicContact CG-CG1 3.9Å; E368-V378 HydrophobicContact CG-CG2 4.01Å; D375-V378 HydrophobicContact CB-CG2 4.25Å; D375-V378 WeakPolarHBondContact O-CB 3.44Å; D375-V378 PolarHBondContact O-N 3.46Å; V378-K380 VanDerWaalsContact C-N 3.31Å; V378-K380 PolarHBondContact O-N 3.35Å; V378-T381 PolarHBondContact O-N 3.44Å; V378-T381 VanDerWaalsContact O-N 3.15Å; V378-K382 HydrophobicContact CG1-CD 4.36Å; V378-K382 WeakPolarHBondContact O-CG 3.49Å; V378-K382 PolarHBondContact O-N 2.94Å |
| 379 | A | 91.3 | Very high | 90.8 | Very high | 21 Ų | 21 | 45.4 Ų | 45.4 | 17% | 0.174 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.2 | -36.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D375 N383 I405 T461 | D375-A379 PolarHBondContact O-N 3.26Å; A379-N383 WeakPolarHBondContact O-CB 3.38Å; A379-N383 PolarHBondContact O-N 3.17Å; A379-N383 VanDerWaalsContact O-N 3.1Å; A379-N383 PolarHBondContact O-ND2 3.02Å; A379-I405 HydrophobicContact CB-CG2 4.01Å; A379-T461 HydrophobicContact CB-CG2 3.91Å |
| 380 | K | 91.7 | Very high | 90.9 | Very high | 100 Ų | 100 | 42.7 Ų | 42.7 | 44% | 0.435 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.5 | -44.1 | 174.1 | -75.3 | 171.8 | -174.2 | 171.7 | 0 | 112 | P376 N377 V378 N383 N384 T461 | P376-K380 WeakPolarHBondContact O-CB 3.38Å; P376-K380 VanDerWaalsContact O-CG 3.26Å; P376-K380 WeakPolarHBondContact O-CG 3.47Å; P376-K380 PolarHBondContact O-N 3.33Å; N377-K380 PolarHBondContact O-N 2.96Å; V378-K380 VanDerWaalsContact C-N 3.31Å; V378-K380 PolarHBondContact O-N 3.35Å; K380-N383 WeakPolarHBondContact O-CB 3.43Å; K380-N383 PolarHBondContact O-N 3.4Å; K380-N384 VanDerWaalsContact O-CG 3.23Å; K380-N384 PolarHBondContact O-N 2.94Å; K380-N384 PolarHBondContact O-ND2 3.32Å; K380-T461 HydrophobicContact CG-CG2 3.94Å |
| 381 | T | 93.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.5 | -43.8 | -179.8 | -54.5 | 0 | 0 | 0 | 0 | 110.7 | N341 Y360 A363 L364 Y367 N377 V378 N383 N384 L385 | N341-T381 PolarHBondContact ND2-OG1 3.46Å; N341-T381 PolarHBondContact OD1-OG1 3.06Å; Y360-T381 HydrophobicContact CD1-CG2 4.14Å; A363-T381 HydrophobicContact CB-CG2 4.15Å; L364-T381 HydrophobicContact CB-CG2 4.06Å; L364-T381 HydrophobicContact CD1-CG2 4.4Å; Y367-T381 WeakPolarHBondContact CD2-OG1 3.39Å; Y367-T381 WeakPolarHBondContact CE2-OG1 3.43Å; N377-T381 VanDerWaalsContact O-CB 3.31Å; N377-T381 WeakPolarHBondContact O-CB 3.47Å; N377-T381 PolarHBondContact O-N 3.02Å; N377-T381 PolarHBondContact O-OG1 2.84Å; V378-T381 PolarHBondContact O-N 3.44Å; V378-T381 VanDerWaalsContact O-N 3.15Å; T381-N383 VanDerWaalsContact C-N 3.33Å; T381-N383 PolarHBondContact O-N 3.19Å; T381-N384 PolarHBondContact O-N 3.43Å; T381-N384 VanDerWaalsContact O-N 3.15Å; T381-L385 WeakPolarHBondContact O-CB 3.32Å; T381-L385 PolarHBondContact O-N 3.18Å |
| 382 | K | 94.8 | Very high | 91 | Very high | 26 Ų | 26 | 39.2 Ų | 39.2 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -41 | 173 | -69.2 | -167.9 | -179.8 | -164.2 | 0 | 112.2 | L364 E368 V378 L385 A386 L401 E404 I405 | L364-K382 HydrophobicContact CD1-CD 4.33Å; L364-K382 HydrophobicContact CD1-CG 3.56Å; L364-K382 HydrophobicContact CD2-CG 4Å; L364-K382 HydrophobicContact CG-CG 4.46Å; E368-K382 WeakPolarHBondContact OE1-CE 3.41Å; E368-K382 IonicContact OE1-NZ 2.68Å; E368-K382 PolarHBondContact OE1-NZ 3.5Å; E368-K382 VanDerWaalsContact OE1-NZ 3.14Å; V378-K382 HydrophobicContact CG1-CD 4.36Å; V378-K382 WeakPolarHBondContact O-CG 3.49Å; V378-K382 PolarHBondContact O-N 2.94Å; K382-L385 PolarHBondContact O-N 3.5Å; K382-A386 VanDerWaalsContact O-CB 3.3Å; K382-A386 WeakPolarHBondContact O-CB 3.5Å; K382-A386 PolarHBondContact O-N 3.08Å; K382-L401 HydrophobicContact CD-CD2 4.41Å; K382-L401 HydrophobicContact CG-CD2 4.39Å; K382-E404 IonicContact NZ-OE2 3.41Å; K382-E404 PolarHBondContact NZ-OE2 2.96Å; K382-I405 HydrophobicContact CB-CD1 3.63Å; K382-I405 HydrophobicContact CB-CG1 3.79Å; K382-I405 HydrophobicContact CD-CG1 4.13Å |
| 383 | N | 93.9 | Very high | 91.1 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 173.3 | -100.9 | -49.4 | 0 | 0 | 0 | 113 | A379 K380 T381 A386 S387 Y402 T461 T465 | A379-N383 WeakPolarHBondContact O-CB 3.38Å; A379-N383 PolarHBondContact O-N 3.17Å; A379-N383 VanDerWaalsContact O-N 3.1Å; A379-N383 PolarHBondContact O-ND2 3.02Å; K380-N383 WeakPolarHBondContact O-CB 3.43Å; K380-N383 PolarHBondContact O-N 3.4Å; T381-N383 VanDerWaalsContact C-N 3.33Å; T381-N383 PolarHBondContact O-N 3.19Å; N383-A386 PolarHBondContact O-N 2.98Å; N383-S387 WeakPolarHBondContact O-CB 3.14Å; N383-S387 PolarHBondContact O-N 3.44Å; N383-Y402 VanDerWaalsContact OD1-CE1 3.31Å; N383-Y402 WeakPolarHBondContact OD1-CE1 3.34Å; N383-T461 WeakPolarHBondContact ND2-CG2 3.28Å; N383-T461 PolarHBondContact ND2-O 2.9Å; N383-T465 WeakPolarHBondContact ND2-CG2 3.42Å; N383-T465 WeakPolarHBondContact OD1-CG2 3.24Å |
| 384 | N | 93.3 | Very high | 91.5 | Very high | 65 Ų | 65 | 39.6 Ų | 39.6 | 35% | 0.348 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.5 | -40.4 | 179.7 | -67.8 | -19.8 | 0 | 0 | 0 | 111.4 | Y360 K380 T381 S387 C388 | Y360-N384 HydrophobicContact CD1-CB 4.22Å; Y360-N384 HydrophobicContact CE1-CB 3.58Å; Y360-N384 HydrophobicContact CE2-CB 4.06Å; K380-N384 VanDerWaalsContact O-CG 3.23Å; K380-N384 PolarHBondContact O-N 2.94Å; K380-N384 PolarHBondContact O-ND2 3.32Å; T381-N384 PolarHBondContact O-N 3.43Å; T381-N384 VanDerWaalsContact O-N 3.15Å; N384-S387 WeakPolarHBondContact O-CB 3.48Å; N384-S387 PolarHBondContact O-N 2.88Å; N384-C388 PolarHBondContact O-N 3.41Å |
| 385 | L | 94.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -46.2 | 173.8 | -179.1 | 59.2 | 0 | 0 | 0 | 111.4 | E357 Y360 T381 K382 S387 C388 F389 L401 | E357-L385 HydrophobicContact CG-CD1 4.37Å; Y360-L385 HydrophobicContact CD2-CB 4.39Å; Y360-L385 HydrophobicContact CD2-CD1 4.36Å; Y360-L385 HydrophobicContact CG-CB 4.39Å; T381-L385 WeakPolarHBondContact O-CB 3.32Å; T381-L385 PolarHBondContact O-N 3.18Å; K382-L385 PolarHBondContact O-N 3.5Å; L385-S387 VanDerWaalsContact C-N 3.27Å; L385-S387 PolarHBondContact O-N 3.09Å; L385-C388 WeakPolarHBondContact O-CA 3.39Å; L385-C388 WeakPolarHBondContact O-CB 3.41Å; L385-C388 PolarHBondContact O-N 3.12Å; L385-F389 HydrophobicContact CD1-CE1 4.15Å; L385-F389 HydrophobicContact CD1-CE2 4.1Å; L385-F389 HydrophobicContact CD1-CZ 3.8Å; L385-F389 HydrophobicContact CD2-CE2 4.24Å; L385-F389 HydrophobicContact CD2-CZ 4.4Å; L385-F389 HydrophobicContact CG-CD2 4.35Å; L385-F389 HydrophobicContact CG-CE2 3.81Å; L385-F389 HydrophobicContact CG-CZ 4.02Å; L385-F389 PolarHBondContact O-N 3.46Å; L385-L401 HydrophobicContact CB-CD1 4.05Å; L385-L401 HydrophobicContact CD2-CD1 3.79Å; L385-L401 HydrophobicContact CG-CD1 3.69Å |
| 386 | A | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.3 | -39.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K382 N383 C388 F389 L390 A398 L401 Y402 | K382-A386 VanDerWaalsContact O-CB 3.3Å; K382-A386 WeakPolarHBondContact O-CB 3.5Å; K382-A386 PolarHBondContact O-N 3.08Å; N383-A386 PolarHBondContact O-N 2.98Å; A386-C388 VanDerWaalsContact C-N 3.3Å; A386-C388 PolarHBondContact O-N 2.79Å; A386-F389 PolarHBondContact O-N 3.36Å; A386-L390 WeakPolarHBondContact O-CG 3.43Å; A386-L390 PolarHBondContact O-N 3.46Å; A386-A398 HydrophobicContact CB-CB 4.27Å; A386-L401 HydrophobicContact CB-CB 4.04Å; A386-L401 HydrophobicContact CB-CD1 4.02Å; A386-Y402 HydrophobicContact CB-CD1 4.1Å; A386-Y402 HydrophobicContact CB-CE1 3.51Å; A386-Y402 HydrophobicContact CB-CE2 4.02Å; A386-Y402 VanDerWaalsContact CB-CZ 3.46Å |
| 387 | S | 91.8 | Very high | 92.4 | Very high | 43 Ų | 43 | 46.7 Ų | 46.7 | 30% | 0.301 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.4 | -35.7 | 172.4 | -173 | 0 | 0 | 0 | 0 | 112.7 | N383 N384 L385 K391 | N383-S387 WeakPolarHBondContact O-CB 3.14Å; N383-S387 PolarHBondContact O-N 3.44Å; N384-S387 WeakPolarHBondContact O-CB 3.48Å; N384-S387 PolarHBondContact O-N 2.88Å; L385-S387 VanDerWaalsContact C-N 3.27Å; L385-S387 PolarHBondContact O-N 3.09Å; S387-K391 PolarHBondContact O-N 3.45Å |
| 388 | C | 92.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -49.5 | 171.4 | -169.5 | 0 | 0 | 0 | 0 | 111.2 | V356 N384 L385 A386 L390 K391 Q392 | V356-C388 HydrophobicContact CG1-CB 3.95Å; V356-C388 WeakPolarHBondContact CG1-SG 3.32Å; N384-C388 PolarHBondContact O-N 3.41Å; L385-C388 WeakPolarHBondContact O-CA 3.39Å; L385-C388 WeakPolarHBondContact O-CB 3.41Å; L385-C388 PolarHBondContact O-N 3.12Å; A386-C388 VanDerWaalsContact C-N 3.3Å; A386-C388 PolarHBondContact O-N 2.79Å; C388-L390 VanDerWaalsContact C-N 3.33Å; C388-L390 PolarHBondContact O-N 2.93Å; C388-K391 PolarHBondContact O-N 3.28Å; C388-K391 VanDerWaalsContact O-N 3.08Å; C388-Q392 WeakPolarHBondContact O-CG 3.5Å; C388-Q392 PolarHBondContact O-N 2.9Å; C388-Q392 VanDerWaalsContact O-N 3.07Å; C388-Q392 PolarHBondContact SG-NE2 3.37Å |
| 389 | F | 93.6 | Very high | 92.6 | Very high | 13 Ų | 13 | 45 Ų | 45 | 6% | 0.057 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -38.3 | 177.5 | -67.4 | -29.2 | 0 | 0 | 0 | 113.3 | E357 L385 A386 K391 Q392 G393 K394 E397 A398 L401 | E357-F389 HydrophobicContact CG-CE1 4Å; E357-F389 HydrophobicContact CG-CZ 4.31Å; L385-F389 HydrophobicContact CD1-CE1 4.15Å; L385-F389 HydrophobicContact CD1-CE2 4.1Å; L385-F389 HydrophobicContact CD1-CZ 3.8Å; L385-F389 HydrophobicContact CD2-CE2 4.24Å; L385-F389 HydrophobicContact CD2-CZ 4.4Å; L385-F389 HydrophobicContact CG-CD2 4.35Å; L385-F389 HydrophobicContact CG-CE2 3.81Å; L385-F389 HydrophobicContact CG-CZ 4.02Å; L385-F389 PolarHBondContact O-N 3.46Å; A386-F389 PolarHBondContact O-N 3.36Å; F389-K391 VanDerWaalsContact C-N 3.31Å; F389-K391 PolarHBondContact O-N 3.13Å; F389-Q392 PolarHBondContact O-N 3.32Å; F389-G393 PolarHBondContact O-N 2.95Å; F389-K394 HydrophobicContact CB-CB 4.07Å; F389-K394 HydrophobicContact CD1-CB 4.38Å; F389-K394 HydrophobicContact CD1-CD 4.02Å; F389-K394 HydrophobicContact CE1-CD 4.36Å; F389-K394 HydrophobicContact CG-CB 4.42Å; F389-K394 PolarHBondContact O-N 2.84Å; F389-E397 HydrophobicContact CD2-CB 3.63Å; F389-E397 WeakPolarHBondContact CE1-OE2 3.48Å; F389-E397 HydrophobicContact CE2-CB 3.84Å; F389-E397 HydrophobicContact CG-CB 4.09Å; F389-E397 HydrophobicContact CZ-CB 4.48Å; F389-E397 WeakPolarHBondContact CZ-OE2 3.31Å; F389-A398 HydrophobicContact CB-CB 3.97Å; F389-L401 HydrophobicContact CD2-CD1 3.74Å; F389-L401 HydrophobicContact CE2-CD1 3.6Å |
| 390 | L | 91.6 | Very high | 92.8 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 25% | 0.246 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59 | -40.5 | 173 | -71.5 | -177.2 | 0 | 0 | 0 | 112.5 | A386 C388 G393 Y395 A398 Y402 L472 | A386-L390 WeakPolarHBondContact O-CG 3.43Å; A386-L390 PolarHBondContact O-N 3.46Å; C388-L390 VanDerWaalsContact C-N 3.33Å; C388-L390 PolarHBondContact O-N 2.93Å; L390-G393 PolarHBondContact O-N 3.07Å; L390-Y395 HydrophobicContact CD2-CD1 3.8Å; L390-Y395 HydrophobicContact CD2-CE1 4.25Å; L390-A398 HydrophobicContact CD2-CB 3.75Å; L390-A398 HydrophobicContact CG-CB 3.97Å; L390-Y402 HydrophobicContact CD1-CE2 4.24Å; L390-Y402 WeakPolarHBondContact CD1-OH 3.34Å; L390-L472 HydrophobicContact CD2-CD1 4.12Å; L390-L472 HydrophobicContact CD2-CD2 3.52Å; L390-L472 HydrophobicContact CD2-CG 4.01Å |
| 391 | K | 89.9 | Confident | 92.9 | Very high | 101 Ų | 101 | 44.6 Ų | 44.6 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.8 | -30.4 | 177.3 | -70.7 | -174.7 | -175.1 | 172.2 | 0 | 112.7 | Q348 Y353 S387 C388 F389 G393 | Q348-K391 HydrophobicContact CG-CD 4.27Å; Y353-K391 HydrophobicContact CE1-CB 3.84Å; Y353-K391 HydrophobicContact CE1-CD 4.26Å; S387-K391 PolarHBondContact O-N 3.45Å; C388-K391 PolarHBondContact O-N 3.28Å; C388-K391 VanDerWaalsContact O-N 3.08Å; F389-K391 VanDerWaalsContact C-N 3.31Å; F389-K391 PolarHBondContact O-N 3.13Å; K391-G393 VanDerWaalsContact C-N 3.31Å |
| 392 | Q | 89.8 | Confident | 93 | Very high | 57 Ų | 57 | 44.5 Ų | 44.5 | 27% | 0.266 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -79.9 | -11 | 175.2 | -65.2 | -178.1 | 47.1 | 0 | 0 | 113.4 | Y353 C388 F389 K394 | Y353-Q392 HydrophobicContact CD1-CG 3.85Å; Y353-Q392 HydrophobicContact CD2-CG 4.28Å; Y353-Q392 HydrophobicContact CG-CG 3.71Å; C388-Q392 WeakPolarHBondContact O-CG 3.5Å; C388-Q392 PolarHBondContact O-N 2.9Å; C388-Q392 VanDerWaalsContact O-N 3.07Å; C388-Q392 PolarHBondContact SG-NE2 3.37Å; F389-Q392 PolarHBondContact O-N 3.32Å; Q392-K394 VanDerWaalsContact C-N 3.3Å; Q392-K394 HydrophobicContact CB-CG 4.09Å |
| 393 | G | 90.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 34% | 0.34 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 7.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F389 L390 K391 Y395 | F389-G393 PolarHBondContact O-N 2.95Å; L390-G393 PolarHBondContact O-N 3.07Å; K391-G393 VanDerWaalsContact C-N 3.31Å; G393-Y395 VanDerWaalsContact O-CD2 3.23Å; G393-Y395 WeakPolarHBondContact O-CD2 3.29Å; G393-Y395 PolarHBondContact O-N 2.95Å |
| 394 | K | 93.6 | Very high | 92.8 | Very high | 68 Ų | 68 | 48 Ų | 48 | 30% | 0.296 | 24% | 0.235 | S | C | . | . | trans | -78.4 | 63.6 | 174.7 | -58.9 | -171.1 | -172.8 | 172 | 0 | 110.7 | E357 F389 Q392 K396 E397 A398 | E357-K394 IonicContact OE1-NZ 3.28Å; E357-K394 IonicContact OE2-NZ 2.62Å; E357-K394 PolarHBondContact OE2-NZ 3.14Å; F389-K394 HydrophobicContact CB-CB 4.07Å; F389-K394 HydrophobicContact CD1-CB 4.38Å; F389-K394 HydrophobicContact CD1-CD 4.02Å; F389-K394 HydrophobicContact CE1-CD 4.36Å; F389-K394 HydrophobicContact CG-CB 4.42Å; F389-K394 PolarHBondContact O-N 2.84Å; Q392-K394 VanDerWaalsContact C-N 3.3Å; Q392-K394 HydrophobicContact CB-CG 4.09Å; K394-K396 VanDerWaalsContact C-N 3.34Å; K394-K396 PolarHBondContact O-N 3.26Å; K394-E397 HydrophobicContact CB-CB 4.42Å; K394-E397 WeakPolarHBondContact CD-OE2 3.1Å; K394-E397 IonicContact NZ-OE2 2.84Å; K394-E397 PolarHBondContact O-N 3.41Å; K394-A398 PolarHBondContact O-N 2.73Å | ||
| 395 | Y | 93.3 | Very high | 92.7 | Very high | 82 Ų | 82 | 45.3 Ų | 45.3 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.1 | -34.1 | -170.8 | -59.5 | -59.8 | 0 | 0 | 0 | 114.2 | L390 G393 A398 E399 L472 R475 | L390-Y395 HydrophobicContact CD2-CD1 3.8Å; L390-Y395 HydrophobicContact CD2-CE1 4.25Å; G393-Y395 VanDerWaalsContact O-CD2 3.23Å; G393-Y395 WeakPolarHBondContact O-CD2 3.29Å; G393-Y395 PolarHBondContact O-N 2.95Å; Y395-A398 PolarHBondContact O-N 3.37Å; Y395-E399 WeakPolarHBondContact O-CB 3.42Å; Y395-E399 PolarHBondContact O-N 3.02Å; Y395-L472 HydrophobicContact CD1-CD2 3.8Å; Y395-L472 HydrophobicContact CG-CD2 4.3Å; Y395-R475 PolarHBondContact OH-NH2 3.44Å |
| 396 | K | 93 | Very high | 92.4 | Very high | 167 Ų | 167 | 45.3 Ų | 45.3 | 73% | 0.726 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65.9 | -42.3 | 179.5 | -65.9 | -177.8 | 179.1 | -179.9 | 0 | 112 | K394 E399 I400 | K394-K396 VanDerWaalsContact C-N 3.34Å; K394-K396 PolarHBondContact O-N 3.26Å; K396-E399 WeakPolarHBondContact O-CB 3.19Å; K396-E399 PolarHBondContact O-N 2.9Å; K396-I400 WeakPolarHBondContact O-CG1 3.32Å; K396-I400 PolarHBondContact O-N 3.35Å; K396-I400 VanDerWaalsContact O-N 3.08Å |
| 397 | E | 92.6 | Very high | 92.2 | Very high | 78 Ų | 78 | 46.5 Ų | 46.5 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.5 | -40.6 | 177.7 | -65.7 | 171.6 | -162.1 | 0 | 0 | 111.3 | F389 K394 E399 I400 L401 | F389-E397 HydrophobicContact CD2-CB 3.63Å; F389-E397 WeakPolarHBondContact CE1-OE2 3.48Å; F389-E397 HydrophobicContact CE2-CB 3.84Å; F389-E397 HydrophobicContact CG-CB 4.09Å; F389-E397 HydrophobicContact CZ-CB 4.48Å; F389-E397 WeakPolarHBondContact CZ-OE2 3.31Å; K394-E397 HydrophobicContact CB-CB 4.42Å; K394-E397 WeakPolarHBondContact CD-OE2 3.1Å; K394-E397 IonicContact NZ-OE2 2.84Å; K394-E397 PolarHBondContact O-N 3.41Å; E397-E399 VanDerWaalsContact C-N 3.34Å; E397-E399 PolarHBondContact O-N 3.28Å; E397-I400 PolarHBondContact O-N 3.5Å; E397-L401 PolarHBondContact O-N 3.32Å; E397-L401 VanDerWaalsContact O-N 3.17Å |
| 398 | A | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.1 | -40.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A386 F389 L390 K394 Y395 L401 Y402 L472 | A386-A398 HydrophobicContact CB-CB 4.27Å; F389-A398 HydrophobicContact CB-CB 3.97Å; L390-A398 HydrophobicContact CD2-CB 3.75Å; L390-A398 HydrophobicContact CG-CB 3.97Å; K394-A398 PolarHBondContact O-N 2.73Å; Y395-A398 PolarHBondContact O-N 3.37Å; A398-L401 PolarHBondContact O-N 3.47Å; A398-Y402 HydrophobicContact CB-CE2 4.25Å; A398-Y402 WeakPolarHBondContact O-CD2 3.29Å; A398-Y402 PolarHBondContact O-N 3.31Å; A398-L472 HydrophobicContact CB-CD1 4.28Å |
| 399 | E | 93.6 | Very high | 91.8 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -46.4 | 176.9 | -171.5 | -173.6 | 155.3 | 0 | 0 | 111.8 | Y395 K396 E397 L401 Y402 K403 L469 L472 Y473 Q476 | Y395-E399 WeakPolarHBondContact O-CB 3.42Å; Y395-E399 PolarHBondContact O-N 3.02Å; K396-E399 WeakPolarHBondContact O-CB 3.19Å; K396-E399 PolarHBondContact O-N 2.9Å; E397-E399 VanDerWaalsContact C-N 3.34Å; E397-E399 PolarHBondContact O-N 3.28Å; E399-L401 PolarHBondContact O-N 2.81Å; E399-Y402 PolarHBondContact O-N 3.5Å; E399-K403 HydrophobicContact CG-CD 4.23Å; E399-K403 WeakPolarHBondContact O-CG 3.28Å; E399-K403 PolarHBondContact O-N 2.95Å; E399-K403 VanDerWaalsContact OE1-CE 3.25Å; E399-K403 WeakPolarHBondContact OE1-CE 3.45Å; E399-K403 IonicContact OE1-NZ 3.42Å; E399-K403 PolarHBondContact OE1-NZ 2.88Å; E399-L469 HydrophobicContact CG-CD1 3.78Å; E399-L472 HydrophobicContact CB-CD1 4.13Å; E399-Y473 HydrophobicContact CG-CE1 4.46Å; E399-Q476 PolarHBondContact OE2-NE2 3.4Å |
| 400 | I | 94.8 | Very high | 91.3 | Very high | 96 Ų | 96 | 48.2 Ų | 48.2 | 49% | 0.492 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.7 | -48.9 | 177.7 | -66.9 | 164.4 | 0 | 0 | 0 | 110.3 | K396 E397 Y402 K403 E404 | K396-I400 WeakPolarHBondContact O-CG1 3.32Å; K396-I400 PolarHBondContact O-N 3.35Å; K396-I400 VanDerWaalsContact O-N 3.08Å; E397-I400 PolarHBondContact O-N 3.5Å; I400-Y402 VanDerWaalsContact C-N 3.34Å; I400-Y402 PolarHBondContact O-N 3.13Å; I400-K403 WeakPolarHBondContact O-CB 3.33Å; I400-K403 PolarHBondContact O-N 2.87Å; I400-K403 VanDerWaalsContact O-N 3.15Å; I400-E404 WeakPolarHBondContact O-CG 3.49Å; I400-E404 PolarHBondContact O-N 3.36Å |
| 401 | L | 94 | Very high | 91.1 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.1 | -39.7 | 178.5 | -72 | 178.1 | 0 | 0 | 0 | 113 | K382 L385 A386 F389 E397 A398 E399 E404 I405 | K382-L401 HydrophobicContact CD-CD2 4.41Å; K382-L401 HydrophobicContact CG-CD2 4.39Å; L385-L401 HydrophobicContact CB-CD1 4.05Å; L385-L401 HydrophobicContact CD2-CD1 3.79Å; L385-L401 HydrophobicContact CG-CD1 3.69Å; A386-L401 HydrophobicContact CB-CB 4.04Å; A386-L401 HydrophobicContact CB-CD1 4.02Å; F389-L401 HydrophobicContact CD2-CD1 3.74Å; F389-L401 HydrophobicContact CE2-CD1 3.6Å; E397-L401 PolarHBondContact O-N 3.32Å; E397-L401 VanDerWaalsContact O-N 3.17Å; A398-L401 PolarHBondContact O-N 3.47Å; E399-L401 PolarHBondContact O-N 2.81Å; L401-E404 PolarHBondContact O-N 2.87Å; L401-I405 VanDerWaalsContact O-CG1 3.29Å; L401-I405 WeakPolarHBondContact O-CG1 3.42Å; L401-I405 PolarHBondContact O-N 3.35Å; L401-I405 VanDerWaalsContact O-N 3.12Å |
| 402 | Y | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.2 | -39.7 | 175.6 | -66.6 | -44.9 | 0 | 0 | 0 | 112.2 | N383 A386 L390 A398 E399 I400 I405 L406 T465 N468 L469 L472 | N383-Y402 VanDerWaalsContact OD1-CE1 3.31Å; N383-Y402 WeakPolarHBondContact OD1-CE1 3.34Å; A386-Y402 HydrophobicContact CB-CD1 4.1Å; A386-Y402 HydrophobicContact CB-CE1 3.51Å; A386-Y402 HydrophobicContact CB-CE2 4.02Å; A386-Y402 VanDerWaalsContact CB-CZ 3.46Å; L390-Y402 HydrophobicContact CD1-CE2 4.24Å; L390-Y402 WeakPolarHBondContact CD1-OH 3.34Å; A398-Y402 HydrophobicContact CB-CE2 4.25Å; A398-Y402 WeakPolarHBondContact O-CD2 3.29Å; A398-Y402 PolarHBondContact O-N 3.31Å; E399-Y402 PolarHBondContact O-N 3.5Å; I400-Y402 VanDerWaalsContact C-N 3.34Å; I400-Y402 PolarHBondContact O-N 3.13Å; Y402-I405 HydrophobicContact CD1-CD1 4.46Å; Y402-I405 PolarHBondContact O-N 2.89Å; Y402-L406 WeakPolarHBondContact O-CG 3.31Å; Y402-L406 PolarHBondContact O-N 3.32Å; Y402-T465 HydrophobicContact CD1-CG2 3.93Å; Y402-T465 HydrophobicContact CE1-CG2 4.5Å; Y402-N468 HydrophobicContact CD2-CB 4.38Å; Y402-N468 HydrophobicContact CE1-CB 3.91Å; Y402-N468 HydrophobicContact CE2-CB 3.69Å; Y402-N468 VanDerWaalsContact CZ-CB 3.42Å; Y402-N468 WeakPolarHBondContact OH-CB 3.41Å; Y402-N468 PolarHBondContact OH-ND2 3.3Å; Y402-N468 VanDerWaalsContact OH-ND2 3.16Å; Y402-L469 HydrophobicContact CD2-CB 4.43Å; Y402-L469 HydrophobicContact CG-CB 4.46Å; Y402-L472 HydrophobicContact CD2-CD1 3.71Å; Y402-L472 HydrophobicContact CE2-CD1 3.79Å |
| 403 | K | 93.4 | Very high | 90.3 | Very high | 32 Ų | 32 | 52.3 Ų | 52.3 | 14% | 0.139 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 174.7 | -74.5 | 178.7 | 169.3 | 178.3 | 0 | 111.4 | E399 I400 L406 T407 W425 E429 L469 Y473 | E399-K403 HydrophobicContact CG-CD 4.23Å; E399-K403 WeakPolarHBondContact O-CG 3.28Å; E399-K403 PolarHBondContact O-N 2.95Å; E399-K403 VanDerWaalsContact OE1-CE 3.25Å; E399-K403 WeakPolarHBondContact OE1-CE 3.45Å; E399-K403 IonicContact OE1-NZ 3.42Å; E399-K403 PolarHBondContact OE1-NZ 2.88Å; I400-K403 WeakPolarHBondContact O-CB 3.33Å; I400-K403 PolarHBondContact O-N 2.87Å; I400-K403 VanDerWaalsContact O-N 3.15Å; K403-L406 PolarHBondContact O-N 3.07Å; K403-T407 VanDerWaalsContact O-CB 3.32Å; K403-T407 WeakPolarHBondContact O-CB 3.49Å; K403-T407 PolarHBondContact O-N 2.85Å; K403-T407 PolarHBondContact O-OG1 3.41Å; K403-W425 HydrophobicContact CB-CD2 4.27Å; K403-W425 HydrophobicContact CB-CZ2 4.29Å; K403-W425 HydrophobicContact CD-CD2 4.03Å; K403-W425 HydrophobicContact CD-CE3 3.78Å; K403-W425 HydrophobicContact CD-CH2 4.13Å; K403-W425 HydrophobicContact CD-CZ2 4.36Å; K403-W425 HydrophobicContact CD-CZ3 3.85Å; K403-W425 VanDerWaalsContact CE-CE3 3.43Å; K403-W425 HydrophobicContact CG-CD2 3.75Å; K403-W425 HydrophobicContact CG-CE3 4.04Å; K403-W425 HydrophobicContact CG-CG 4.04Å; K403-W425 HydrophobicContact CG-CZ2 4.44Å; K403-W425 HydrophobicContact CG-CZ3 4.49Å; K403-E429 IonicContact NZ-OE1 2.87Å; K403-E429 PolarHBondContact NZ-OE1 3.39Å; K403-E429 IonicContact NZ-OE2 3.07Å; K403-E429 PolarHBondContact NZ-OE2 3.01Å; K403-L469 HydrophobicContact CG-CD2 4.37Å; K403-Y473 WeakPolarHBondContact CE-OH 3.48Å; K403-Y473 PolarHBondContact NZ-OH 2.89Å |
| 404 | E | 92.1 | Very high | 89.7 | Confident | 79 Ų | 79 | 53.5 Ų | 53.5 | 37% | 0.369 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.6 | -47.3 | 174.6 | -74.2 | 177 | -163.2 | 0 | 0 | 112.2 | K382 I400 L401 L406 T407 R408 | K382-E404 IonicContact NZ-OE2 3.41Å; K382-E404 PolarHBondContact NZ-OE2 2.96Å; I400-E404 WeakPolarHBondContact O-CG 3.49Å; I400-E404 PolarHBondContact O-N 3.36Å; L401-E404 PolarHBondContact O-N 2.87Å; E404-L406 VanDerWaalsContact C-N 3.34Å; E404-L406 PolarHBondContact O-N 3.25Å; E404-T407 PolarHBondContact O-N 3.48Å; E404-R408 WeakPolarHBondContact O-CB 3.38Å; E404-R408 PolarHBondContact O-N 3.37Å |
| 405 | I | 91.1 | Very high | 89.1 | Confident | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.046 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -43.4 | 179.5 | -60.7 | 160.1 | 0 | 0 | 0 | 110.8 | A379 K382 L401 Y402 A409 T465 | A379-I405 HydrophobicContact CB-CG2 4.01Å; K382-I405 HydrophobicContact CB-CD1 3.63Å; K382-I405 HydrophobicContact CB-CG1 3.79Å; K382-I405 HydrophobicContact CD-CG1 4.13Å; L401-I405 VanDerWaalsContact O-CG1 3.29Å; L401-I405 WeakPolarHBondContact O-CG1 3.42Å; L401-I405 PolarHBondContact O-N 3.35Å; L401-I405 VanDerWaalsContact O-N 3.12Å; Y402-I405 HydrophobicContact CD1-CD1 4.46Å; Y402-I405 PolarHBondContact O-N 2.89Å; I405-A409 VanDerWaalsContact O-CB 3.23Å; I405-A409 WeakPolarHBondContact O-CB 3.4Å; I405-A409 PolarHBondContact O-N 3.47Å; I405-T465 HydrophobicContact CB-CG2 3.98Å; I405-T465 HydrophobicContact CD1-CG2 3.49Å; I405-T465 VanDerWaalsContact CD1-CG2 3.49Å; I405-T465 HydrophobicContact CG1-CG2 4.36Å; I405-T465 HydrophobicContact CG2-CG2 3.74Å |
| 406 | L | 88.7 | Confident | 88.6 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.8 | -39.6 | 179.7 | -69.1 | 178.1 | 0 | 0 | 0 | 112.5 | Y402 K403 E404 H410 I424 W425 V462 T465 L466 L469 | Y402-L406 WeakPolarHBondContact O-CG 3.31Å; Y402-L406 PolarHBondContact O-N 3.32Å; K403-L406 PolarHBondContact O-N 3.07Å; E404-L406 VanDerWaalsContact C-N 3.34Å; E404-L406 PolarHBondContact O-N 3.25Å; L406-H410 VanDerWaalsContact O-CB 3.31Å; L406-H410 WeakPolarHBondContact O-CB 3.47Å; L406-H410 PolarHBondContact O-N 2.98Å; L406-I424 HydrophobicContact CD1-CG2 4.12Å; L406-I424 HydrophobicContact CD2-CG2 4.38Å; L406-W425 HydrophobicContact CD1-CB 4.17Å; L406-V462 HydrophobicContact CD2-CG1 3.92Å; L406-T465 WeakPolarHBondContact CD2-OG1 3.5Å; L406-L466 HydrophobicContact CD1-CD2 4.03Å; L406-L466 HydrophobicContact CD2-CD2 3.62Å; L406-L466 HydrophobicContact CD2-CG 3.89Å; L406-L469 HydrophobicContact CD1-CD2 3.5Å |
| 407 | T | 89.7 | Confident | 88.1 | Confident | 26 Ų | 26 | 46.8 Ų | 46.8 | 16% | 0.16 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 176 | -54.2 | 0 | 0 | 0 | 0 | 110 | K403 E404 A409 H410 E411 V417 P423 W425 | K403-T407 VanDerWaalsContact O-CB 3.32Å; K403-T407 WeakPolarHBondContact O-CB 3.49Å; K403-T407 PolarHBondContact O-N 2.85Å; K403-T407 PolarHBondContact O-OG1 3.41Å; E404-T407 PolarHBondContact O-N 3.48Å; T407-A409 PolarHBondContact O-N 2.84Å; T407-H410 WeakPolarHBondContact O-CB 3.47Å; T407-H410 PolarHBondContact O-N 2.86Å; T407-H410 VanDerWaalsContact O-N 3.16Å; T407-E411 WeakPolarHBondContact O-CG 3.35Å; T407-E411 PolarHBondContact O-N 2.89Å; T407-V417 HydrophobicContact CG2-CG2 4.13Å; T407-P423 HydrophobicContact CG2-CG 3.96Å; T407-W425 PolarHBondContact OG1-NE1 3.42Å |
| 408 | R | 88.3 | Confident | 87.4 | Confident | 67 Ų | 67 | 47.1 Ų | 47.1 | 25% | 0.253 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.7 | -37.1 | -179 | -166 | 63 | -175.9 | 74.9 | -0.6 | 113.1 | D374 E404 H410 E411 K412 | D374-R408 VanDerWaalsContact CG-NH1 3.34Å; D374-R408 IonicContact OD1-CZ 2.92Å; D374-R408 IonicContact OD1-NH1 3.92Å; D374-R408 PolarHBondContact OD1-NH1 2.99Å; D374-R408 IonicContact OD1-NH2 2.76Å; D374-R408 PolarHBondContact OD1-NH2 3.38Å; D374-R408 VanDerWaalsContact OD1-NH2 3.13Å; D374-R408 IonicContact OD2-CZ 2.73Å; D374-R408 IonicContact OD2-NH1 2.95Å; D374-R408 IonicContact OD2-NH2 3.67Å; D374-R408 PolarHBondContact OD2-NH2 2.99Å; E404-R408 WeakPolarHBondContact O-CB 3.38Å; E404-R408 PolarHBondContact O-N 3.37Å; R408-H410 VanDerWaalsContact C-N 3.31Å; R408-E411 PolarHBondContact O-N 2.93Å; R408-K412 WeakPolarHBondContact O-CB 3.4Å; R408-K412 PolarHBondContact O-N 2.91Å; R408-K412 VanDerWaalsContact O-N 3.07Å |
| 409 | A | 86.1 | Confident | 86.3 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 12% | 0.124 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I405 T407 V457 V462 | I405-A409 VanDerWaalsContact O-CB 3.23Å; I405-A409 WeakPolarHBondContact O-CB 3.4Å; I405-A409 PolarHBondContact O-N 3.47Å; T407-A409 PolarHBondContact O-N 2.84Å; A409-V457 HydrophobicContact CB-CG1 4.13Å; A409-V462 HydrophobicContact CB-CG2 4.01Å |
| 410 | H | 84.3 | Confident | 85.2 | Confident | 9 Ų | 9 | 56 Ų | 56 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.6 | -49.1 | 173.2 | 179.3 | 87.5 | 0 | 0 | 0 | 111.3 | L406 T407 R408 K412 E413 F414 N421 K422 P423 | L406-H410 VanDerWaalsContact O-CB 3.31Å; L406-H410 WeakPolarHBondContact O-CB 3.47Å; L406-H410 PolarHBondContact O-N 2.98Å; T407-H410 WeakPolarHBondContact O-CB 3.47Å; T407-H410 PolarHBondContact O-N 2.86Å; T407-H410 VanDerWaalsContact O-N 3.16Å; R408-H410 VanDerWaalsContact C-N 3.31Å; H410-K412 PolarHBondContact O-N 3.22Å; H410-E413 PolarHBondContact O-N 3.01Å; H410-F414 AromaticContact CE1-CD2 3.66Å; H410-F414 AromaticContact CG-CD2 3.98Å; H410-F414 AromaticContact ND1-CD2 3.44Å; H410-F414 WeakPolarHBondContact ND1-CD2 3.45Å; H410-F414 VanDerWaalsContact O-CD2 3.32Å; H410-F414 WeakPolarHBondContact O-CD2 3.32Å; H410-F414 PolarHBondContact O-N 3.31Å; H410-N421 PolarHBondContact CE1-OD1 3.27Å; H410-N421 VanDerWaalsContact NE2-CG 3.31Å; H410-N421 PolarHBondContact NE2-ND2 2.82Å; H410-N421 PolarHBondContact NE2-O 3Å; H410-N421 PolarHBondContact NE2-OD1 2.66Å; H410-K422 PolarHBondContact CE1-O 3.49Å; H410-K422 VanDerWaalsContact CE1-O 3.31Å; H410-P423 HydrophobicContact CB-CB 4.27Å; H410-P423 HydrophobicContact CB-CG 4.49Å |
| 411 | E | 86.2 | Confident | 84.4 | Confident | 69 Ų | 69 | 53 Ų | 53 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59 | -36 | 179.6 | -74 | 173.7 | 166.3 | 0 | 0 | 113.1 | T407 R408 E413 G415 V417 | T407-E411 WeakPolarHBondContact O-CG 3.35Å; T407-E411 PolarHBondContact O-N 2.89Å; R408-E411 PolarHBondContact O-N 2.93Å; E411-E413 VanDerWaalsContact C-N 3.33Å; E411-E413 PolarHBondContact O-N 3.24Å; E411-G415 VanDerWaalsContact CA-O 3.28Å; E411-G415 WeakPolarHBondContact CA-O 3.26Å; E411-G415 VanDerWaalsContact O-CA 3.27Å; E411-G415 WeakPolarHBondContact O-CA 3.23Å; E411-G415 PolarHBondContact O-N 3.46Å; E411-V417 HydrophobicContact CG-CG2 3.95Å |
| 412 | K | 83.7 | Confident | 83.9 | Confident | 121 Ų | 121 | 54.6 Ų | 54.6 | 53% | 0.526 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 176.7 | -176.7 | -179.3 | 178.8 | 173.9 | 0 | 113 | R408 H410 | R408-K412 WeakPolarHBondContact O-CB 3.4Å; R408-K412 PolarHBondContact O-N 2.91Å; R408-K412 VanDerWaalsContact O-N 3.07Å; H410-K412 PolarHBondContact O-N 3.22Å |
| 413 | E | 79.5 | Confident | 83.4 | Confident | 101 Ų | 101 | 54.6 Ų | 54.6 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -94.1 | -30.7 | -174.1 | -65.8 | -68.9 | 149.4 | 0 | 0 | 112.7 | H410 E411 V457 | H410-E413 PolarHBondContact O-N 3.01Å; E411-E413 VanDerWaalsContact C-N 3.33Å; E411-E413 PolarHBondContact O-N 3.24Å; E413-V457 HydrophobicContact CG-CG2 4.24Å |
| 414 | F | 77.6 | Confident | 82.9 | Confident | 59 Ų | 59 | 54.1 Ų | 54.1 | 26% | 0.259 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -122.2 | -0.4 | -170.8 | -51.7 | -72.1 | 0 | 0 | 0 | 114.4 | H410 N421 K453 A454 | H410-F414 AromaticContact CE1-CD2 3.66Å; H410-F414 AromaticContact CG-CD2 3.98Å; H410-F414 AromaticContact ND1-CD2 3.44Å; H410-F414 WeakPolarHBondContact ND1-CD2 3.45Å; H410-F414 VanDerWaalsContact O-CD2 3.32Å; H410-F414 WeakPolarHBondContact O-CD2 3.32Å; H410-F414 PolarHBondContact O-N 3.31Å; F414-N421 WeakPolarHBondContact CB-OD1 3.41Å; F414-N421 PolarHBondContact O-ND2 2.68Å; F414-N421 VanDerWaalsContact O-ND2 3.07Å; F414-K453 HydrophobicContact CE1-CB 4.32Å; F414-K453 VanDerWaalsContact CE1-O 3.24Å; F414-K453 WeakPolarHBondContact CE1-O 3.45Å; F414-K453 WeakPolarHBondContact CZ-O 3.4Å; F414-A454 VanDerWaalsContact CE2-CA 3.47Å; F414-A454 HydrophobicContact CE2-CB 4.24Å; F414-A454 VanDerWaalsContact CZ-CA 3.46Å |
| 415 | G | 80.7 | Confident | 82.7 | Confident | 36 Ų | 36 | 52 Ų | 52 | 37% | 0.371 | 28% | 0.278 | S | S | . | . | trans | 79.7 | -167.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E411 | E411-G415 VanDerWaalsContact CA-O 3.28Å; E411-G415 WeakPolarHBondContact CA-O 3.26Å; E411-G415 VanDerWaalsContact O-CA 3.27Å; E411-G415 WeakPolarHBondContact O-CA 3.23Å; E411-G415 PolarHBondContact O-N 3.46Å | ||
| 416 | S | 83.4 | Confident | 82.5 | Confident | 97 Ų | 97 | 54.3 Ų | 54.3 | 68% | 0.678 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -55 | 145.9 | -174.5 | -171.6 | 0 | 0 | 0 | 0 | 112.6 | D418 N421 | S416-D418 PolarHBondContact O-N 2.99Å; S416-N421 PolarHBondContact O-ND2 3.07Å |
| 417 | V | 83.5 | Confident | 82.3 | Confident | 43 Ų | 43 | 55.8 Ų | 55.8 | 26% | 0.261 | 30% | 0.297 | S | S | . | . | trans | -69 | 121.8 | 171.5 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | T407 E411 P423 | T407-V417 HydrophobicContact CG2-CG2 4.13Å; E411-V417 HydrophobicContact CG-CG2 3.95Å; V417-P423 HydrophobicContact CG1-CG 4.31Å; V417-P423 HydrophobicContact CG2-CG 3.67Å | ||
| 418 | D | 77 | Confident | 82 | Confident | 85 Ų | 85 | 54.7 Ų | 54.7 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | trans | -129.5 | -171.9 | 173.1 | 64.7 | 23.6 | 0 | 0 | 0 | 110.6 | S416 E420 N421 | S416-D418 PolarHBondContact O-N 2.99Å; D418-E420 PolarHBondContact O-N 3.4Å; D418-E420 PolarHBondContact OD1-N 3.11Å; D418-E420 VanDerWaalsContact OD1-N 3.09Å; D418-N421 WeakPolarHBondContact OD1-CA 3.35Å; D418-N421 WeakPolarHBondContact OD1-CB 3.48Å; D418-N421 PolarHBondContact OD1-N 3.33Å | ||
| 419 | A | 71.1 | Confident | 82 | Confident | 64 Ų | 64 | 53.5 Ų | 53.5 | 53% | 0.529 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -67.5 | -24.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K422 | A419-K422 WeakPolarHBondContact O-CE 3.45Š|
| 420 | E | 70.9 | Confident | 82 | Confident | 147 Ų | 147 | 56.1 Ų | 56.1 | 69% | 0.687 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -98.8 | -26.9 | -179.7 | -66.3 | 72.7 | -154.8 | 0 | 0 | 112.5 | D418 | D418-E420 PolarHBondContact O-N 3.4Å; D418-E420 PolarHBondContact OD1-N 3.11Å; D418-E420 VanDerWaalsContact OD1-N 3.09Å |
| 421 | N | 77.9 | Confident | 81.7 | Confident | 33 Ų | 33 | 60 Ų | 60 | 18% | 0.176 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -109.5 | 61.3 | -173.3 | -170.6 | 35.8 | 0 | 0 | 0 | 111.7 | H410 F414 S416 D418 | H410-N421 PolarHBondContact CE1-OD1 3.27Å; H410-N421 VanDerWaalsContact NE2-CG 3.31Å; H410-N421 PolarHBondContact NE2-ND2 2.82Å; H410-N421 PolarHBondContact NE2-O 3Å; H410-N421 PolarHBondContact NE2-OD1 2.66Å; F414-N421 WeakPolarHBondContact CB-OD1 3.41Å; F414-N421 PolarHBondContact O-ND2 2.68Å; F414-N421 VanDerWaalsContact O-ND2 3.07Å; S416-N421 PolarHBondContact O-ND2 3.07Å; D418-N421 WeakPolarHBondContact OD1-CA 3.35Å; D418-N421 WeakPolarHBondContact OD1-CB 3.48Å; D418-N421 PolarHBondContact OD1-N 3.33Å |
| 422 | K | 82.6 | Confident | 81.5 | Confident | 48 Ų | 48 | 57.3 Ų | 57.3 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | trans | -83.6 | 142.6 | -178.9 | -60.3 | 177.1 | -176.1 | 168.9 | 0 | 112 | H410 A419 M426 H427 E430 | H410-K422 PolarHBondContact CE1-O 3.49Å; H410-K422 VanDerWaalsContact CE1-O 3.31Å; A419-K422 WeakPolarHBondContact O-CE 3.45Å; K422-M426 HydrophobicContact CB-CB 4.17Å; K422-M426 HydrophobicContact CB-SD 4.4Å; K422-H427 PolarHBondContact O-CD2 3.36Å; K422-H427 VanDerWaalsContact O-CD2 3.31Å; K422-H427 PolarHBondContact O-NE2 3.46Å; K422-E430 WeakPolarHBondContact CD-OE1 3.27Å; K422-E430 WeakPolarHBondContact CE-OE1 3.2Å; K422-E430 IonicContact NZ-OE1 3.5Å; K422-E430 PolarHBondContact NZ-OE1 3.47Å; K422-E430 IonicContact NZ-OE2 2.68Å; K422-E430 PolarHBondContact NZ-OE2 3.05Å | ||
| 423 | P | 84.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -58.1 | 154.2 | 170.7 | -25 | 32.7 | 0 | 0 | 0 | 112.4 | T407 H410 V417 W425 M426 H427 | T407-P423 HydrophobicContact CG2-CG 3.96Å; H410-P423 HydrophobicContact CB-CB 4.27Å; H410-P423 HydrophobicContact CB-CG 4.49Å; V417-P423 HydrophobicContact CG1-CG 4.31Å; V417-P423 HydrophobicContact CG2-CG 3.67Å; P423-W425 PolarHBondContact O-N 3.01Å; P423-W425 VanDerWaalsContact O-N 3.08Å; P423-M426 HydrophobicContact CG-SD 4.48Å; P423-M426 WeakPolarHBondContact O-CB 3.47Å; P423-M426 PolarHBondContact O-N 3.24Å; P423-H427 PolarHBondContact O-N 2.95Å | ||
| 424 | I | 82.8 | Confident | 80.8 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.6 | -30.2 | -171.8 | -151.6 | 156.9 | 0 | 0 | 0 | 114.6 | L406 A428 C455 L466 L485 C488 | L406-I424 HydrophobicContact CD1-CG2 4.12Å; L406-I424 HydrophobicContact CD2-CG2 4.38Å; I424-A428 PolarHBondContact O-N 2.88Å; I424-C455 VanDerWaalsContact CD1-SG 3.54Å; I424-L466 HydrophobicContact CG2-CD2 3.74Å; I424-L485 HydrophobicContact CG2-CD2 3.94Å; I424-C488 HydrophobicContact CD1-CB 3.81Å; I424-C488 WeakPolarHBondContact CD1-SG 3.37Å |
| 425 | W | 87 | Confident | 80.3 | Confident | 34 Ų | 34 | 58.4 Ų | 58.4 | 13% | 0.129 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -76 | -28.6 | 178.5 | 66.6 | -95.3 | 0 | 0 | 0 | 112.7 | K403 L406 T407 P423 A428 E429 L469 | K403-W425 HydrophobicContact CB-CD2 4.27Å; K403-W425 HydrophobicContact CB-CZ2 4.29Å; K403-W425 HydrophobicContact CD-CD2 4.03Å; K403-W425 HydrophobicContact CD-CE3 3.78Å; K403-W425 HydrophobicContact CD-CH2 4.13Å; K403-W425 HydrophobicContact CD-CZ2 4.36Å; K403-W425 HydrophobicContact CD-CZ3 3.85Å; K403-W425 VanDerWaalsContact CE-CE3 3.43Å; K403-W425 HydrophobicContact CG-CD2 3.75Å; K403-W425 HydrophobicContact CG-CE3 4.04Å; K403-W425 HydrophobicContact CG-CG 4.04Å; K403-W425 HydrophobicContact CG-CZ2 4.44Å; K403-W425 HydrophobicContact CG-CZ3 4.49Å; L406-W425 HydrophobicContact CD1-CB 4.17Å; T407-W425 PolarHBondContact OG1-NE1 3.42Å; P423-W425 PolarHBondContact O-N 3.01Å; P423-W425 VanDerWaalsContact O-N 3.08Å; W425-A428 WeakPolarHBondContact O-CB 3.45Å; W425-A428 PolarHBondContact O-N 3.31Å; W425-E429 VanDerWaalsContact CZ3-OE2 3.28Å; W425-E429 WeakPolarHBondContact CZ3-OE2 3.49Å; W425-E429 WeakPolarHBondContact O-CG 3.49Å; W425-E429 PolarHBondContact O-N 2.84Å; W425-E429 VanDerWaalsContact O-N 3.07Å; W425-L469 HydrophobicContact CB-CD2 3.88Å |
| 426 | M | 87.7 | Confident | 79.4 | Confident | 58 Ų | 58 | 62.7 Ų | 62.7 | 29% | 0.286 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.9 | -43.5 | 175.3 | -70.5 | -172.3 | -176.7 | 0 | 0 | 110.2 | K422 P423 A428 E429 E430 | K422-M426 HydrophobicContact CB-CB 4.17Å; K422-M426 HydrophobicContact CB-SD 4.4Å; P423-M426 HydrophobicContact CG-SD 4.48Å; P423-M426 WeakPolarHBondContact O-CB 3.47Å; P423-M426 PolarHBondContact O-N 3.24Å; M426-A428 VanDerWaalsContact C-N 3.28Å; M426-A428 PolarHBondContact O-N 3.06Å; M426-E429 PolarHBondContact O-N 3.39Å; M426-E430 WeakPolarHBondContact O-CG 3.44Å; M426-E430 PolarHBondContact O-N 3.17Å |
| 427 | H | 83.6 | Confident | 78.1 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 17% | 0.171 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.1 | -38.2 | 172.9 | -74.7 | -52.1 | 0 | 0 | 0 | 112.7 | K422 P423 E430 R431 | K422-H427 PolarHBondContact O-CD2 3.36Å; K422-H427 VanDerWaalsContact O-CD2 3.31Å; K422-H427 PolarHBondContact O-NE2 3.46Å; P423-H427 PolarHBondContact O-N 2.95Å; H427-E430 IonicContact ND1-OE2 3.18Å; H427-R431 WeakPolarHBondContact O-CB 3.45Å; H427-R431 PolarHBondContact O-N 3.41Å |
| 428 | A | 84.6 | Confident | 76.3 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 2% | 0.017 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I424 W425 M426 R431 E432 A481 T484 L485 | I424-A428 PolarHBondContact O-N 2.88Å; W425-A428 WeakPolarHBondContact O-CB 3.45Å; W425-A428 PolarHBondContact O-N 3.31Å; M426-A428 VanDerWaalsContact C-N 3.28Å; M426-A428 PolarHBondContact O-N 3.06Å; A428-R431 PolarHBondContact O-N 3.4Å; A428-E432 PolarHBondContact O-N 3.21Å; A428-A481 HydrophobicContact CB-CB 4.14Å; A428-A481 WeakPolarHBondContact O-CA 3.41Å; A428-A481 WeakPolarHBondContact O-CB 3.28Å; A428-T484 WeakPolarHBondContact CB-OG1 3.31Å; A428-L485 HydrophobicContact CB-CD2 4.25Å; A428-L485 HydrophobicContact CB-CG 4.12Å |
| 429 | E | 87.3 | Confident | 74.5 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.6 | -38.2 | 177 | -71 | -171.2 | 142.8 | 0 | 0 | 112.5 | K403 W425 M426 R431 E432 E433 Y473 K478 | K403-E429 IonicContact NZ-OE1 2.87Å; K403-E429 PolarHBondContact NZ-OE1 3.39Å; K403-E429 IonicContact NZ-OE2 3.07Å; K403-E429 PolarHBondContact NZ-OE2 3.01Å; W425-E429 VanDerWaalsContact CZ3-OE2 3.28Å; W425-E429 WeakPolarHBondContact CZ3-OE2 3.49Å; W425-E429 WeakPolarHBondContact O-CG 3.49Å; W425-E429 PolarHBondContact O-N 2.84Å; W425-E429 VanDerWaalsContact O-N 3.07Å; M426-E429 PolarHBondContact O-N 3.39Å; E429-R431 VanDerWaalsContact C-N 3.33Å; E429-R431 PolarHBondContact O-N 3.12Å; E429-E432 WeakPolarHBondContact O-CB 3.41Å; E429-E432 PolarHBondContact O-N 3.32Å; E429-E433 PolarHBondContact O-N 3.14Å; E429-E433 VanDerWaalsContact O-N 3.1Å; E429-Y473 VanDerWaalsContact CD-OH 3.28Å; E429-Y473 HydrophobicContact CG-CE2 4.28Å; E429-Y473 WeakPolarHBondContact CG-OH 3.36Å; E429-Y473 PolarHBondContact OE1-OH 2.78Å; E429-Y473 VanDerWaalsContact OE1-OH 3.07Å; E429-K478 IonicContact OE1-NZ 3.79Å; E429-K478 PolarHBondContact OE1-NZ 2.98Å |
| 430 | E | 86 | Confident | 73.2 | Confident | 70 Ų | 70 | 80.7 Ų | 80.7 | 33% | 0.327 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 174.1 | -73.3 | 175.1 | 174.7 | 0 | 0 | 112.3 | K422 M426 H427 E432 E433 M434 | K422-E430 WeakPolarHBondContact CD-OE1 3.27Å; K422-E430 WeakPolarHBondContact CE-OE1 3.2Å; K422-E430 IonicContact NZ-OE1 3.5Å; K422-E430 PolarHBondContact NZ-OE1 3.47Å; K422-E430 IonicContact NZ-OE2 2.68Å; K422-E430 PolarHBondContact NZ-OE2 3.05Å; M426-E430 WeakPolarHBondContact O-CG 3.44Å; M426-E430 PolarHBondContact O-N 3.17Å; H427-E430 IonicContact ND1-OE2 3.18Å; E430-E432 VanDerWaalsContact C-N 3.32Å; E430-E432 PolarHBondContact O-N 3.22Å; E430-E433 PolarHBondContact O-N 3.45Å; E430-M434 HydrophobicContact CB-CE 4.32Å; E430-M434 WeakPolarHBondContact O-CG 3.42Å; E430-M434 PolarHBondContact O-N 3.31Å |
| 431 | R | 78 | Confident | 71.3 | Confident | 90 Ų | 90 | 79.9 Ų | 79.9 | 34% | 0.34 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 175.2 | -172 | -174.2 | 166.1 | 175.1 | -12.3 | 111.8 | H427 A428 E429 M434 S435 E480 E483 | H427-R431 WeakPolarHBondContact O-CB 3.45Å; H427-R431 PolarHBondContact O-N 3.41Å; A428-R431 PolarHBondContact O-N 3.4Å; E429-R431 VanDerWaalsContact C-N 3.33Å; E429-R431 PolarHBondContact O-N 3.12Å; R431-M434 PolarHBondContact O-N 2.93Å; R431-S435 WeakPolarHBondContact O-CB 3.15Å; R431-S435 PolarHBondContact O-N 3.18Å; R431-E480 HydrophobicContact CG-CB 4.46Å; R431-E480 IonicContact CZ-OE2 2.82Å; R431-E480 VanDerWaalsContact CZ-OE2 3.27Å; R431-E480 IonicContact NE-OE2 3.57Å; R431-E480 PolarHBondContact NE-OE2 3.47Å; R431-E480 IonicContact NH2-OE2 3.05Å; R431-E480 PolarHBondContact NH2-OE2 2.97Å; R431-E483 IonicContact NH2-OE2 3.92Å |
| 432 | E | 82.9 | Confident | 69.5 | Low | 14 Ų | 14 | 86.7 Ų | 86.7 | 7% | 0.065 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 176.5 | -178.4 | 70 | -150.8 | 0 | 0 | 111.7 | A428 E429 E430 M434 S435 K436 K478 L479 E480 A481 | A428-E432 PolarHBondContact O-N 3.21Å; E429-E432 WeakPolarHBondContact O-CB 3.41Å; E429-E432 PolarHBondContact O-N 3.32Å; E430-E432 VanDerWaalsContact C-N 3.32Å; E430-E432 PolarHBondContact O-N 3.22Å; E432-M434 VanDerWaalsContact C-N 3.34Å; E432-M434 PolarHBondContact O-N 2.9Å; E432-S435 PolarHBondContact O-N 3.15Å; E432-K436 WeakPolarHBondContact O-CG 3.3Å; E432-K436 PolarHBondContact O-N 3.35Å; E432-K436 VanDerWaalsContact O-N 3.16Å; E432-K436 WeakPolarHBondContact OE1-CE 3.49Å; E432-K478 VanDerWaalsContact CD-CA 3.45Å; E432-K478 HydrophobicContact CG-CB 3.94Å; E432-K478 HydrophobicContact CG-CG 4.07Å; E432-K478 VanDerWaalsContact OE2-CA 3.3Å; E432-K478 WeakPolarHBondContact OE2-CA 3.34Å; E432-L479 PolarHBondContact OE2-N 2.72Å; E432-L479 VanDerWaalsContact OE2-N 3.1Å; E432-E480 WeakPolarHBondContact OE2-CB 3.44Å; E432-E480 PolarHBondContact OE2-N 3.29Å; E432-A481 HydrophobicContact CB-CB 4.14Å; E432-A481 PolarHBondContact OE2-N 3.46Å |
| 433 | E | 80.4 | Confident | 67 | Low | 114 Ų | 114 | 88.6 Ų | 88.6 | 53% | 0.533 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.5 | -34.3 | 178.8 | -65.2 | -55.5 | 123 | 0 | 0 | 112.3 | E429 E430 K436 G437 | E429-E433 PolarHBondContact O-N 3.14Å; E429-E433 VanDerWaalsContact O-N 3.1Å; E430-E433 PolarHBondContact O-N 3.45Å; E433-K436 PolarHBondContact O-N 3.01Å; E433-K436 IonicContact OE1-NZ 2.76Å; E433-K436 PolarHBondContact OE1-NZ 3.47Å; E433-G437 PolarHBondContact O-N 2.96Å |
| 434 | M | 67.1 | Low | 64.9 | Low | 129 Ų | 129 | 94.6 Ų | 94.6 | 64% | 0.635 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.7 | -36.2 | 172.3 | -75.5 | -170 | -87.2 | 0 | 0 | 113 | E430 R431 E432 K436 G437 | E430-M434 HydrophobicContact CB-CE 4.32Å; E430-M434 WeakPolarHBondContact O-CG 3.42Å; E430-M434 PolarHBondContact O-N 3.31Å; R431-M434 PolarHBondContact O-N 2.93Å; E432-M434 VanDerWaalsContact C-N 3.34Å; E432-M434 PolarHBondContact O-N 2.9Å; M434-K436 VanDerWaalsContact C-N 3.34Å; M434-G437 PolarHBondContact O-N 3.31Å |
| 435 | S | 66.8 | Low | 62.9 | Low | 61 Ų | 61 | 103.6 Ų | 103.6 | 43% | 0.427 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.2 | -32.7 | 177.1 | -174.2 | 0 | 0 | 0 | 0 | 112.7 | R431 E432 G437 | R431-S435 WeakPolarHBondContact O-CB 3.15Å; R431-S435 PolarHBondContact O-N 3.18Å; E432-S435 PolarHBondContact O-N 3.15Å; S435-G437 VanDerWaalsContact C-N 3.28Å; S435-G437 PolarHBondContact O-N 3.44Å |
| 436 | K | 62.5 | Low | 60.5 | Low | 126 Ų | 126 | 104.8 Ų | 104.8 | 55% | 0.548 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.1 | -18.2 | 173.2 | -67 | 173.8 | -169.2 | 160.5 | 0 | 113.5 | E432 E433 M434 | E432-K436 WeakPolarHBondContact O-CG 3.3Å; E432-K436 PolarHBondContact O-N 3.35Å; E432-K436 VanDerWaalsContact O-N 3.16Å; E432-K436 WeakPolarHBondContact OE1-CE 3.49Å; E433-K436 PolarHBondContact O-N 3.01Å; E433-K436 IonicContact OE1-NZ 2.76Å; E433-K436 PolarHBondContact OE1-NZ 3.47Å; M434-K436 VanDerWaalsContact C-N 3.34Å |
| 437 | G | 56 | Low | 58.1 | Low | 57 Ų | 57 | 111.4 Ų | 111.4 | 59% | 0.588 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -93.1 | -20.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | E433 M434 S435 | E433-G437 PolarHBondContact O-N 2.96Å; M434-G437 PolarHBondContact O-N 3.31Å; S435-G437 VanDerWaalsContact C-N 3.28Å; S435-G437 PolarHBondContact O-N 3.44Å |
| 438 | K | 45.8 | Very low | 55.9 | Low | 190 Ų | 190 | 117.4 Ų | 117.4 | 83% | 0.826 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -151.5 | 147 | -179.4 | -97.5 | 179.4 | -178.2 | 176.6 | 0 | 113.4 | ||
| 439 | H | 39.8 | Very low | 53.8 | Low | 170 Ų | 170 | 119.1 Ų | 119.1 | 79% | 0.787 | 60% | 0.601 | S | S | * | * | trans | -35.2 | 145.3 | 168.2 | -102.1 | -84.4 | 0 | 0 | 0 | 113.3 | D441 | H439-D441 PolarHBondContact O-N 3.5Š| ||
| 440 | R | 43.8 | Very low | 51.7 | Low | 250 Ų | 250 | 118.5 Ų | 118.5 | 94% | 0.943 | 61% | 0.606 | S | S | * | * | trans | -55.5 | 76.2 | 161.6 | -81.4 | -176.1 | 164.9 | -169.8 | -3.3 | 110.7 | ||||
| 441 | D | 31.5 | Very low | 49.9 | Very low | 130 Ų | 130 | 119.3 Ų | 119.3 | 70% | 0.695 | 61% | 0.606 | S | S | * | * | trans | -93.7 | 112.2 | 159.7 | -78.8 | -27.7 | 0 | 0 | 0 | 107.3 | H439 T443 | H439-D441 PolarHBondContact O-N 3.5Å; D441-T443 PolarHBondContact O-N 2.92Å | ||
| 442 | N | 38.6 | Very low | 48.5 | Very low | 175 Ų | 175 | 121.3 Ų | 121.3 | 94% | 0.936 | 61% | 0.614 | S | S | * | * | trans | -63 | 64.2 | 175.5 | -116.7 | 19 | 0 | 0 | 0 | 110.7 | ||||
| 443 | T | 30.8 | Very low | 46.8 | Very low | 89 Ų | 89 | 125.8 Ų | 125.8 | 55% | 0.546 | 63% | 0.633 | S | S | . | * | trans | -101.4 | 120.4 | 168.2 | -33.5 | 0 | 0 | 0 | 0 | 105.7 | D441 Y445 | D441-T443 PolarHBondContact O-N 2.92Å; T443-Y445 PolarHBondContact O-N 3.23Å | ||
| 444 | P | 40.8 | Very low | 45.1 | Very low | 126 Ų | 126 | 120.8 Ų | 120.8 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | trans | -63.1 | 92.6 | 170.1 | -11.5 | 25.7 | 0 | 0 | 0 | 106.7 | G446 | P444-G446 PolarHBondContact O-N 3.03Š| ||
| 445 | Y | 39.9 | Very low | 44.3 | Very low | 211 Ų | 211 | 115 Ų | 115 | 83% | 0.827 | 58% | 0.584 | S | S | * | * | trans | -70.1 | 121.8 | -171.2 | -136 | -97.5 | 0 | 0 | 0 | 107.5 | T443 | T443-Y445 PolarHBondContact O-N 3.23Š| ||
| 446 | G | 36.3 | Very low | 43.6 | Very low | 60 Ų | 60 | 118.3 Ų | 118.3 | 62% | 0.619 | 59% | 0.59 | S | S | * | * | trans | -50.3 | 146.1 | -162.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P444 Y448 | P444-G446 PolarHBondContact O-N 3.03Å; G446-Y448 PolarHBondContact O-N 3.45Å | ||
| 447 | E | 37.5 | Very low | 43.4 | Very low | 196 Ų | 196 | 113.4 Ų | 113.4 | 92% | 0.916 | 57% | 0.571 | S | S | * | * | trans | -36 | 93.7 | 168 | -66.5 | 173.5 | 137.9 | 0 | 0 | 111.8 | G449 | E447-G449 PolarHBondContact O-N 3.32Š| ||
| 448 | Y | 38.5 | Very low | 43.6 | Very low | 163 Ų | 163 | 115 Ų | 115 | 64% | 0.639 | 57% | 0.566 | S | S | * | * | trans | -72.8 | 88.1 | 163.7 | -148.4 | -94.7 | 0 | 0 | 0 | 106.4 | G446 G450 | G446-Y448 PolarHBondContact O-N 3.45Å; Y448-G450 PolarHBondContact O-N 2.91Å | ||
| 449 | G | 39.8 | Very low | 45.1 | Very low | 39 Ų | 39 | 108 Ų | 108 | 40% | 0.402 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 50.2 | -162.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | E447 Y452 | E447-G449 PolarHBondContact O-N 3.32Å; G449-Y452 PolarHBondContact O-OH 3.42Å |
| 450 | G | 42.1 | Very low | 47.2 | Very low | 29 Ų | 29 | 104.8 Ų | 104.8 | 30% | 0.299 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.3 | -33.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y448 Y452 K453 | Y448-G450 PolarHBondContact O-N 2.91Å; G450-Y452 VanDerWaalsContact C-N 3.33Å; G450-Y452 PolarHBondContact O-N 2.83Å; G450-K453 VanDerWaalsContact O-CB 3.31Å; G450-K453 WeakPolarHBondContact O-CB 3.49Å; G450-K453 PolarHBondContact O-N 3.27Å |
| 451 | W | 49.3 | Very low | 49.2 | Very low | 87 Ų | 87 | 93.9 Ų | 93.9 | 33% | 0.33 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.6 | -28.7 | -170.5 | 77.3 | -90.2 | 0 | 0 | 0 | 113.9 | K453 A454 C455 | W451-K453 PolarHBondContact O-N 3.32Å; W451-A454 WeakPolarHBondContact O-CB 3.45Å; W451-A454 PolarHBondContact O-N 3.2Å; W451-A454 VanDerWaalsContact O-N 3.12Å; W451-C455 PolarHBondContact O-N 2.81Å |
| 452 | Y | 47.7 | Very low | 51.8 | Low | 131 Ų | 131 | 88.2 Ų | 88.2 | 51% | 0.514 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.1 | -21.8 | 173.4 | 58 | -102.1 | 0 | 0 | 0 | 112.4 | G449 G450 | G449-Y452 PolarHBondContact O-OH 3.42Å; G450-Y452 VanDerWaalsContact C-N 3.33Å; G450-Y452 PolarHBondContact O-N 2.83Å |
| 453 | K | 47.9 | Very low | 54.2 | Low | 109 Ų | 109 | 80.6 Ų | 80.6 | 47% | 0.474 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -73.2 | -38.1 | 171.8 | -62 | 178.7 | -178.9 | 169.4 | 0 | 110.2 | F414 G450 W451 C455 K456 | F414-K453 HydrophobicContact CE1-CB 4.32Å; F414-K453 VanDerWaalsContact CE1-O 3.24Å; F414-K453 WeakPolarHBondContact CE1-O 3.45Å; F414-K453 WeakPolarHBondContact CZ-O 3.4Å; G450-K453 VanDerWaalsContact O-CB 3.31Å; G450-K453 WeakPolarHBondContact O-CB 3.49Å; G450-K453 PolarHBondContact O-N 3.27Å; W451-K453 PolarHBondContact O-N 3.32Å; K453-C455 VanDerWaalsContact C-N 3.35Å; K453-C455 PolarHBondContact O-N 2.83Å; K453-K456 WeakPolarHBondContact O-CG 3.39Å |
| 454 | A | 45 | Very low | 57 | Low | 9 Ų | 9 | 78.8 Ų | 78.8 | 7% | 0.074 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.5 | -24.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | F414 W451 K456 | F414-A454 VanDerWaalsContact CE2-CA 3.47Å; F414-A454 HydrophobicContact CE2-CB 4.24Å; F414-A454 VanDerWaalsContact CZ-CA 3.46Å; W451-A454 WeakPolarHBondContact O-CB 3.45Å; W451-A454 PolarHBondContact O-N 3.2Å; W451-A454 VanDerWaalsContact O-N 3.12Å; A454-K456 PolarHBondContact O-N 3.13Å |
| 455 | C | 49.3 | Very low | 59.4 | Low | 8 Ų | 8 | 72.8 Ų | 72.8 | 5% | 0.054 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 5.8 | -178.5 | -77.3 | 0 | 0 | 0 | 0 | 115.4 | I424 W451 K453 V457 C488 S492 | I424-C455 VanDerWaalsContact CD1-SG 3.54Å; W451-C455 PolarHBondContact O-N 2.81Å; K453-C455 VanDerWaalsContact C-N 3.35Å; K453-C455 PolarHBondContact O-N 2.83Å; C455-V457 PolarHBondContact O-N 3.04Å; C455-V457 VanDerWaalsContact O-N 3.15Å; C455-C488 WeakPolarHBondContact CB-SG 3.32Å; C455-C488 WeakPolarHBondContact SG-CB 3.48Å; C455-C488 CovalentContact SG-SG 2.07Å; C455-C488 PolarHBondContact SG-SG 3.33Å; C455-S492 PolarHBondContact O-OG 3.02Å |
| 456 | K | 53.8 | Low | 61.8 | Low | 130 Ų | 130 | 63 Ų | 63 | 57% | 0.565 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -1.9 | 179.8 | -72.9 | -177.8 | 179 | -177.3 | 0 | 114.9 | K453 A454 N458 | K453-K456 WeakPolarHBondContact O-CG 3.39Å; A454-K456 PolarHBondContact O-N 3.13Å; K456-N458 PolarHBondContact O-N 3.49Å |
| 457 | V | 56.9 | Low | 64.4 | Low | 23 Ų | 23 | 64.8 Ų | 64.8 | 14% | 0.139 | 33% | 0.325 | C | S | . | . | trans | -75.8 | 84 | -175.5 | -163.9 | 0 | 0 | 0 | 0 | 111.7 | A409 E413 C455 S459 V462 | A409-V457 HydrophobicContact CB-CG1 4.13Å; E413-V457 HydrophobicContact CG-CG2 4.24Å; C455-V457 PolarHBondContact O-N 3.04Å; C455-V457 VanDerWaalsContact O-N 3.15Å; V457-S459 PolarHBondContact O-N 3.48Å; V457-V462 HydrophobicContact CB-CG1 4.12Å; V457-V462 HydrophobicContact CG1-CB 3.99Å; V457-V462 HydrophobicContact CG1-CG1 3.82Å; V457-V462 HydrophobicContact CG1-CG2 3.81Å | ||
| 458 | N | 60.9 | Low | 67.1 | Low | 91 Ų | 91 | 57.8 Ų | 57.8 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | trans | -80.7 | 53.6 | 178.4 | -74.1 | -22.2 | 0 | 0 | 0 | 113.1 | K456 S492 | K456-N458 PolarHBondContact O-N 3.49Å; N458-S492 PolarHBondContact OD1-O 2.68Å | ||
| 459 | S | 76.9 | Confident | 69.7 | Low | 42 Ų | 42 | 50 Ų | 50 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | trans | -105.5 | 125.2 | 170.5 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | V457 T461 V462 N463 | V457-S459 PolarHBondContact O-N 3.48Å; S459-T461 PolarHBondContact O-N 2.84Å; S459-T461 VanDerWaalsContact O-N 3.13Å; S459-T461 PolarHBondContact OG-N 2.99Å; S459-V462 PolarHBondContact O-N 3.42Å; S459-N463 PolarHBondContact O-N 3.25Å | ||
| 460 | P | 83.8 | Confident | 72.1 | Confident | 103 Ų | 103 | 48.1 Ų | 48.1 | 67% | 0.669 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -55.3 | -32.1 | 176 | -25.9 | 33.8 | 0 | 0 | 0 | 113.2 | N463 T464 | P460-N463 PolarHBondContact O-N 3.4Å; P460-T464 PolarHBondContact O-N 3.37Å; P460-T464 VanDerWaalsContact O-N 3.08Å; P460-T464 PolarHBondContact O-OG1 3.45Å |
| 461 | T | 85.1 | Confident | 74.5 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 13% | 0.129 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.6 | -43.7 | 176.7 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | A379 K380 N383 S459 T464 T465 | A379-T461 HydrophobicContact CB-CG2 3.91Å; K380-T461 HydrophobicContact CG-CG2 3.94Å; N383-T461 WeakPolarHBondContact ND2-CG2 3.28Å; N383-T461 PolarHBondContact ND2-O 2.9Å; S459-T461 PolarHBondContact O-N 2.84Å; S459-T461 VanDerWaalsContact O-N 3.13Å; S459-T461 PolarHBondContact OG-N 2.99Å; T461-T464 WeakPolarHBondContact O-CB 3.46Å; T461-T464 PolarHBondContact O-N 2.94Å; T461-T465 WeakPolarHBondContact O-CG2 3.43Å; T461-T465 PolarHBondContact O-N 3.32Å |
| 462 | V | 86.9 | Confident | 76.6 | Confident | 10 Ų | 10 | 45 Ų | 45 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69 | -35.6 | 175.5 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | L406 A409 V457 S459 T464 T465 L466 | L406-V462 HydrophobicContact CD2-CG1 3.92Å; A409-V462 HydrophobicContact CB-CG2 4.01Å; V457-V462 HydrophobicContact CB-CG1 4.12Å; V457-V462 HydrophobicContact CG1-CB 3.99Å; V457-V462 HydrophobicContact CG1-CG1 3.82Å; V457-V462 HydrophobicContact CG1-CG2 3.81Å; S459-V462 PolarHBondContact O-N 3.42Å; V462-T464 PolarHBondContact O-N 3.49Å; V462-T465 WeakPolarHBondContact CA-OG1 3.43Å; V462-T465 PolarHBondContact O-N 3.04Å; V462-T465 PolarHBondContact O-OG1 2.96Å; V462-L466 HydrophobicContact CG1-CD1 4.46Å; V462-L466 WeakPolarHBondContact O-CG 3.12Å; V462-L466 PolarHBondContact O-N 3.49Å |
| 463 | N | 88.1 | Confident | 78.8 | Confident | 15 Ų | 15 | 38.7 Ų | 38.7 | 8% | 0.08 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -33 | 174.1 | -158.4 | -89.9 | 0 | 0 | 0 | 112.2 | S459 P460 R467 A489 | S459-N463 PolarHBondContact O-N 3.25Å; P460-N463 PolarHBondContact O-N 3.4Å; N463-R467 WeakPolarHBondContact O-CG 3.32Å; N463-R467 PolarHBondContact O-N 3.09Å; N463-R467 PolarHBondContact OD1-NE 3.21Å; N463-R467 PolarHBondContact OD1-NH2 2.96Å; N463-A489 WeakPolarHBondContact ND2-CA 3.5Å; N463-A489 PolarHBondContact ND2-O 3.02Å |
| 464 | T | 89.9 | Confident | 80.9 | Confident | 51 Ų | 51 | 39.3 Ų | 39.3 | 31% | 0.313 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -71.1 | -38.8 | 175.1 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | P460 T461 V462 R467 N468 | P460-T464 PolarHBondContact O-N 3.37Å; P460-T464 VanDerWaalsContact O-N 3.08Å; P460-T464 PolarHBondContact O-OG1 3.45Å; T461-T464 WeakPolarHBondContact O-CB 3.46Å; T461-T464 PolarHBondContact O-N 2.94Å; V462-T464 PolarHBondContact O-N 3.49Å; T464-R467 PolarHBondContact O-N 2.87Å; T464-N468 WeakPolarHBondContact O-CB 3.43Å; T464-N468 VanDerWaalsContact O-CG 3.22Å; T464-N468 PolarHBondContact O-N 3.15Å; T464-N468 PolarHBondContact O-ND2 3.03Å |
| 465 | T | 91.3 | Very high | 83 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.4 | -44.6 | 174.4 | 57.4 | 0 | 0 | 0 | 0 | 111.7 | N383 Y402 I405 L406 T461 V462 R467 N468 L469 | N383-T465 WeakPolarHBondContact ND2-CG2 3.42Å; N383-T465 WeakPolarHBondContact OD1-CG2 3.24Å; Y402-T465 HydrophobicContact CD1-CG2 3.93Å; Y402-T465 HydrophobicContact CE1-CG2 4.5Å; I405-T465 HydrophobicContact CB-CG2 3.98Å; I405-T465 HydrophobicContact CD1-CG2 3.49Å; I405-T465 VanDerWaalsContact CD1-CG2 3.49Å; I405-T465 HydrophobicContact CG1-CG2 4.36Å; I405-T465 HydrophobicContact CG2-CG2 3.74Å; L406-T465 WeakPolarHBondContact CD2-OG1 3.5Å; T461-T465 WeakPolarHBondContact O-CG2 3.43Å; T461-T465 PolarHBondContact O-N 3.32Å; V462-T465 WeakPolarHBondContact CA-OG1 3.43Å; V462-T465 PolarHBondContact O-N 3.04Å; V462-T465 PolarHBondContact O-OG1 2.96Å; T465-R467 VanDerWaalsContact C-N 3.32Å; T465-R467 PolarHBondContact O-N 3.19Å; T465-N468 PolarHBondContact O-N 3.01Å; T465-L469 VanDerWaalsContact O-CB 3.29Å; T465-L469 WeakPolarHBondContact O-CB 3.39Å; T465-L469 PolarHBondContact O-N 2.89Å |
| 466 | L | 90.8 | Very high | 85 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -55.5 | -47 | 176.5 | -72.5 | 171.6 | 0 | 0 | 0 | 111.5 | L406 I424 V462 G470 L485 C488 A489 | L406-L466 HydrophobicContact CD1-CD2 4.03Å; L406-L466 HydrophobicContact CD2-CD2 3.62Å; L406-L466 HydrophobicContact CD2-CG 3.89Å; I424-L466 HydrophobicContact CG2-CD2 3.74Å; V462-L466 HydrophobicContact CG1-CD1 4.46Å; V462-L466 WeakPolarHBondContact O-CG 3.12Å; V462-L466 PolarHBondContact O-N 3.49Å; L466-G470 PolarHBondContact O-N 3.12Å; L466-L485 HydrophobicContact CD2-CD2 3.82Å; L466-C488 HydrophobicContact CD1-CB 4.46Å; L466-A489 HydrophobicContact CB-CB 3.98Å; L466-A489 HydrophobicContact CD1-CB 4.39Å |
| 467 | R | 91.3 | Very high | 86.6 | Confident | 98 Ų | 98 | 46.4 Ų | 46.4 | 37% | 0.37 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66 | -44.1 | 178.1 | -74.7 | -172.2 | -109.9 | 119 | -9.4 | 112.7 | N463 T464 T465 G470 A471 A489 | N463-R467 WeakPolarHBondContact O-CG 3.32Å; N463-R467 PolarHBondContact O-N 3.09Å; N463-R467 PolarHBondContact OD1-NE 3.21Å; N463-R467 PolarHBondContact OD1-NH2 2.96Å; T464-R467 PolarHBondContact O-N 2.87Å; T465-R467 VanDerWaalsContact C-N 3.32Å; T465-R467 PolarHBondContact O-N 3.19Å; R467-G470 PolarHBondContact O-N 3.1Å; R467-A471 WeakPolarHBondContact O-CB 3.18Å; R467-A471 PolarHBondContact O-N 3.49Å; R467-A489 HydrophobicContact CG-CB 3.83Å |
| 468 | N | 93.3 | Very high | 88.2 | Confident | 49 Ų | 49 | 47.2 Ų | 47.2 | 26% | 0.262 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.1 | -37.6 | -178.8 | -69.3 | -14 | 0 | 0 | 0 | 112 | Y402 T464 T465 A471 L472 | Y402-N468 HydrophobicContact CD2-CB 4.38Å; Y402-N468 HydrophobicContact CE1-CB 3.91Å; Y402-N468 HydrophobicContact CE2-CB 3.69Å; Y402-N468 VanDerWaalsContact CZ-CB 3.42Å; Y402-N468 WeakPolarHBondContact OH-CB 3.41Å; Y402-N468 PolarHBondContact OH-ND2 3.3Å; Y402-N468 VanDerWaalsContact OH-ND2 3.16Å; T464-N468 WeakPolarHBondContact O-CB 3.43Å; T464-N468 VanDerWaalsContact O-CG 3.22Å; T464-N468 PolarHBondContact O-N 3.15Å; T464-N468 PolarHBondContact O-ND2 3.03Å; T465-N468 PolarHBondContact O-N 3.01Å; N468-A471 PolarHBondContact O-N 3.1Å; N468-L472 PolarHBondContact O-N 3.27Å |
| 469 | L | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.1 | -41.3 | 174.9 | -174.9 | 61.7 | 0 | 0 | 0 | 111.6 | E399 Y402 K403 L406 W425 T465 A471 L472 Y473 L485 | E399-L469 HydrophobicContact CG-CD1 3.78Å; Y402-L469 HydrophobicContact CD2-CB 4.43Å; Y402-L469 HydrophobicContact CG-CB 4.46Å; K403-L469 HydrophobicContact CG-CD2 4.37Å; L406-L469 HydrophobicContact CD1-CD2 3.5Å; W425-L469 HydrophobicContact CB-CD2 3.88Å; T465-L469 VanDerWaalsContact O-CB 3.29Å; T465-L469 WeakPolarHBondContact O-CB 3.39Å; T465-L469 PolarHBondContact O-N 2.89Å; L469-A471 VanDerWaalsContact C-N 3.3Å; L469-A471 PolarHBondContact O-N 2.94Å; L469-L472 HydrophobicContact CD1-CD1 4.48Å; L469-L472 WeakPolarHBondContact O-CB 3.49Å; L469-L472 PolarHBondContact O-N 3.23Å; L469-L472 VanDerWaalsContact O-N 3.09Å; L469-Y473 HydrophobicContact CD1-CE1 4.06Å; L469-Y473 HydrophobicContact CD1-CE2 4.43Å; L469-Y473 HydrophobicContact CD2-CE2 4.3Å; L469-Y473 HydrophobicContact CG-CD2 4.41Å; L469-Y473 HydrophobicContact CG-CE2 4.06Å; L469-Y473 PolarHBondContact O-N 3.42Å; L469-L485 HydrophobicContact CB-CD1 3.98Å; L469-L485 HydrophobicContact CD2-CD1 3.73Å; L469-L485 HydrophobicContact CG-CD1 3.62Å |
| 470 | G | 91.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58 | -42.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L466 R467 L472 Y473 R474 A482 | L466-G470 PolarHBondContact O-N 3.12Å; R467-G470 PolarHBondContact O-N 3.1Å; G470-L472 VanDerWaalsContact C-N 3.34Å; G470-L472 PolarHBondContact O-N 2.92Å; G470-Y473 PolarHBondContact O-N 2.99Å; G470-R474 WeakPolarHBondContact O-CB 3.29Å; G470-R474 PolarHBondContact O-N 3.4Å; G470-A482 VanDerWaalsContact O-CB 3.32Å; G470-A482 WeakPolarHBondContact O-CB 3.44Å |
| 471 | A | 92.6 | Very high | 90.1 | Very high | 45 Ų | 45 | 43.4 Ų | 43.4 | 37% | 0.372 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.2 | -36.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R467 N468 L469 R475 | R467-A471 WeakPolarHBondContact O-CB 3.18Å; R467-A471 PolarHBondContact O-N 3.49Å; N468-A471 PolarHBondContact O-N 3.1Å; L469-A471 VanDerWaalsContact C-N 3.3Å; L469-A471 PolarHBondContact O-N 2.94Å; A471-R475 WeakPolarHBondContact O-CG 3.32Å; A471-R475 PolarHBondContact O-N 3.39Å; A471-R475 VanDerWaalsContact O-N 3.14Å |
| 472 | L | 93.2 | Very high | 90.3 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.3 | -45.5 | 173.2 | -81.5 | 177.1 | 0 | 0 | 0 | 112.1 | L390 Y395 A398 E399 Y402 N468 L469 G470 R474 R475 Q476 | L390-L472 HydrophobicContact CD2-CD1 4.12Å; L390-L472 HydrophobicContact CD2-CD2 3.52Å; L390-L472 HydrophobicContact CD2-CG 4.01Å; Y395-L472 HydrophobicContact CD1-CD2 3.8Å; Y395-L472 HydrophobicContact CG-CD2 4.3Å; A398-L472 HydrophobicContact CB-CD1 4.28Å; E399-L472 HydrophobicContact CB-CD1 4.13Å; Y402-L472 HydrophobicContact CD2-CD1 3.71Å; Y402-L472 HydrophobicContact CE2-CD1 3.79Å; N468-L472 PolarHBondContact O-N 3.27Å; L469-L472 HydrophobicContact CD1-CD1 4.48Å; L469-L472 WeakPolarHBondContact O-CB 3.49Å; L469-L472 PolarHBondContact O-N 3.23Å; L469-L472 VanDerWaalsContact O-N 3.09Å; G470-L472 VanDerWaalsContact C-N 3.34Å; G470-L472 PolarHBondContact O-N 2.92Å; L472-R474 VanDerWaalsContact C-N 3.34Å; L472-R474 PolarHBondContact O-N 3Å; L472-R475 WeakPolarHBondContact O-CB 3.21Å; L472-R475 PolarHBondContact O-N 3.24Å; L472-R475 VanDerWaalsContact O-N 3.12Å; L472-Q476 WeakPolarHBondContact O-CG 3.46Å; L472-Q476 PolarHBondContact O-N 3.06Å |
| 473 | Y | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -39 | 176.7 | -74 | -18.6 | 0 | 0 | 0 | 112.6 | E399 K403 E429 L469 G470 R475 Q476 G477 K478 A481 L485 | E399-Y473 HydrophobicContact CG-CE1 4.46Å; K403-Y473 WeakPolarHBondContact CE-OH 3.48Å; K403-Y473 PolarHBondContact NZ-OH 2.89Å; E429-Y473 VanDerWaalsContact CD-OH 3.28Å; E429-Y473 HydrophobicContact CG-CE2 4.28Å; E429-Y473 WeakPolarHBondContact CG-OH 3.36Å; E429-Y473 PolarHBondContact OE1-OH 2.78Å; E429-Y473 VanDerWaalsContact OE1-OH 3.07Å; L469-Y473 HydrophobicContact CD1-CE1 4.06Å; L469-Y473 HydrophobicContact CD1-CE2 4.43Å; L469-Y473 HydrophobicContact CD2-CE2 4.3Å; L469-Y473 HydrophobicContact CG-CD2 4.41Å; L469-Y473 HydrophobicContact CG-CE2 4.06Å; L469-Y473 PolarHBondContact O-N 3.42Å; G470-Y473 PolarHBondContact O-N 2.99Å; Y473-R475 VanDerWaalsContact C-N 3.28Å; Y473-R475 PolarHBondContact O-N 3.05Å; Y473-Q476 CarbonylContact O-C 3.57Å; Y473-Q476 PolarHBondContact O-N 3.5Å; Y473-G477 PolarHBondContact O-N 2.97Å; Y473-G477 VanDerWaalsContact O-N 3.12Å; Y473-K478 HydrophobicContact CD1-CD 3.93Å; Y473-K478 HydrophobicContact CE1-CD 4.31Å; Y473-K478 HydrophobicContact CG-CD 4.37Å; Y473-K478 PolarHBondContact O-N 3.26Å; Y473-A481 HydrophobicContact CD2-CB 3.59Å; Y473-A481 HydrophobicContact CE2-CB 4.04Å; Y473-A481 HydrophobicContact CG-CB 4.15Å; Y473-L485 HydrophobicContact CD2-CD1 3.56Å; Y473-L485 HydrophobicContact CE2-CD1 3.54Å |
| 474 | R | 92.1 | Very high | 90.2 | Very high | 121 Ų | 121 | 46.7 Ų | 46.7 | 46% | 0.457 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.5 | -41 | 171.9 | -171.5 | -178.2 | -62.8 | -81 | 2.1 | 111.9 | G470 L472 Q476 G477 L479 A482 E486 | G470-R474 WeakPolarHBondContact O-CB 3.29Å; G470-R474 PolarHBondContact O-N 3.4Å; L472-R474 VanDerWaalsContact C-N 3.34Å; L472-R474 PolarHBondContact O-N 3Å; R474-Q476 VanDerWaalsContact C-N 3.32Å; R474-Q476 PolarHBondContact O-N 3.32Å; R474-G477 PolarHBondContact O-N 3.29Å; R474-L479 HydrophobicContact CG-CD2 4.26Å; R474-A482 HydrophobicContact CB-CB 4.02Å; R474-E486 IonicContact CZ-OE1 3.31Å; R474-E486 IonicContact NE-OE1 3.62Å; R474-E486 PolarHBondContact NE-OE1 2.93Å; R474-E486 IonicContact NH2-OE1 3.97Å; R474-E486 PolarHBondContact NH2-OE1 3.42Å; R474-E486 IonicContact NH2-OE2 2.66Å; R474-E486 PolarHBondContact NH2-OE2 3Å |
| 475 | R | 89.8 | Confident | 90 | Very high | 169 Ų | 169 | 44.2 Ų | 44.2 | 64% | 0.638 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -68.1 | -29.4 | 175.4 | -71.8 | 178.1 | 65.1 | 127.6 | 5.8 | 113.4 | Y395 A471 L472 Y473 G477 | Y395-R475 PolarHBondContact OH-NH2 3.44Å; A471-R475 WeakPolarHBondContact O-CG 3.32Å; A471-R475 PolarHBondContact O-N 3.39Å; A471-R475 VanDerWaalsContact O-N 3.14Å; L472-R475 WeakPolarHBondContact O-CB 3.21Å; L472-R475 PolarHBondContact O-N 3.24Å; L472-R475 VanDerWaalsContact O-N 3.12Å; Y473-R475 VanDerWaalsContact C-N 3.28Å; Y473-R475 PolarHBondContact O-N 3.05Å; R475-G477 VanDerWaalsContact C-N 3.28Å |
| 476 | Q | 90.1 | Very high | 89.7 | Confident | 80 Ų | 80 | 47.3 Ų | 47.3 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -80.5 | -7.5 | 175.8 | -67.6 | 174.2 | 11.9 | 0 | 0 | 113.1 | E399 L472 Y473 R474 K478 | E399-Q476 PolarHBondContact OE2-NE2 3.4Å; L472-Q476 WeakPolarHBondContact O-CG 3.46Å; L472-Q476 PolarHBondContact O-N 3.06Å; Y473-Q476 CarbonylContact O-C 3.57Å; Y473-Q476 PolarHBondContact O-N 3.5Å; R474-Q476 VanDerWaalsContact C-N 3.32Å; R474-Q476 PolarHBondContact O-N 3.32Å; Q476-K478 HydrophobicContact CB-CG 4.41Å |
| 477 | G | 88.1 | Confident | 89.4 | Confident | 47 Ų | 47 | 49.8 Ų | 49.8 | 49% | 0.485 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y473 R474 R475 L479 | Y473-G477 PolarHBondContact O-N 2.97Å; Y473-G477 VanDerWaalsContact O-N 3.12Å; R474-G477 PolarHBondContact O-N 3.29Å; R475-G477 VanDerWaalsContact C-N 3.28Å; G477-L479 PolarHBondContact O-N 3.01Å; G477-L479 VanDerWaalsContact O-N 3.16Å |
| 478 | K | 91.4 | Very high | 88.8 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 18% | 0.178 | 23% | 0.225 | C | C | . | . | trans | -83.8 | 78.4 | 174.8 | -60.3 | 176.6 | 178.1 | 168.8 | 0 | 110 | E429 E432 Y473 Q476 A481 A482 | E429-K478 IonicContact OE1-NZ 3.79Å; E429-K478 PolarHBondContact OE1-NZ 2.98Å; E432-K478 VanDerWaalsContact CD-CA 3.45Å; E432-K478 HydrophobicContact CG-CB 3.94Å; E432-K478 HydrophobicContact CG-CG 4.07Å; E432-K478 VanDerWaalsContact OE2-CA 3.3Å; E432-K478 WeakPolarHBondContact OE2-CA 3.34Å; Y473-K478 HydrophobicContact CD1-CD 3.93Å; Y473-K478 HydrophobicContact CE1-CD 4.31Å; Y473-K478 HydrophobicContact CG-CD 4.37Å; Y473-K478 PolarHBondContact O-N 3.26Å; Q476-K478 HydrophobicContact CB-CG 4.41Å; K478-A481 HydrophobicContact CB-CB 3.97Å; K478-A482 WeakPolarHBondContact O-CB 3.45Å; K478-A482 PolarHBondContact O-N 3.07Å; K478-A482 VanDerWaalsContact O-N 3.1Å | ||
| 479 | L | 88.8 | Confident | 88.2 | Confident | 101 Ų | 101 | 43 Ų | 43 | 53% | 0.529 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -72.6 | -37 | -169.9 | -65.7 | 176.1 | 0 | 0 | 0 | 113.2 | E432 R474 G477 A482 E483 | E432-L479 PolarHBondContact OE2-N 2.72Å; E432-L479 VanDerWaalsContact OE2-N 3.1Å; R474-L479 HydrophobicContact CG-CD2 4.26Å; G477-L479 PolarHBondContact O-N 3.01Å; G477-L479 VanDerWaalsContact O-N 3.16Å; L479-A482 PolarHBondContact O-N 3.42Å; L479-E483 PolarHBondContact O-N 3.27Å |
| 480 | E | 84.7 | Confident | 87.4 | Confident | 54 Ų | 54 | 46.8 Ų | 46.8 | 25% | 0.252 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71.7 | -38.2 | 179 | -65.6 | -74.4 | 157.5 | 0 | 0 | 110.8 | R431 E432 A482 E483 T484 | R431-E480 HydrophobicContact CG-CB 4.46Å; R431-E480 IonicContact CZ-OE2 2.82Å; R431-E480 VanDerWaalsContact CZ-OE2 3.27Å; R431-E480 IonicContact NE-OE2 3.57Å; R431-E480 PolarHBondContact NE-OE2 3.47Å; R431-E480 IonicContact NH2-OE2 3.05Å; R431-E480 PolarHBondContact NH2-OE2 2.97Å; E432-E480 WeakPolarHBondContact OE2-CB 3.44Å; E432-E480 PolarHBondContact OE2-N 3.29Å; E480-A482 VanDerWaalsContact C-N 3.29Å; E480-A482 PolarHBondContact O-N 3.36Å; E480-E483 PolarHBondContact O-N 3.06Å; E480-T484 WeakPolarHBondContact O-CG2 3.49Å; E480-T484 PolarHBondContact O-N 2.94Å; E480-T484 VanDerWaalsContact O-N 3.09Å; E480-T484 PolarHBondContact O-OG1 3.28Å |
| 481 | A | 86.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -34.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | A428 E432 Y473 K478 T484 L485 | A428-A481 HydrophobicContact CB-CB 4.14Å; A428-A481 WeakPolarHBondContact O-CA 3.41Å; A428-A481 WeakPolarHBondContact O-CB 3.28Å; E432-A481 HydrophobicContact CB-CB 4.14Å; E432-A481 PolarHBondContact OE2-N 3.46Å; Y473-A481 HydrophobicContact CD2-CB 3.59Å; Y473-A481 HydrophobicContact CE2-CB 4.04Å; Y473-A481 HydrophobicContact CG-CB 4.15Å; K478-A481 HydrophobicContact CB-CB 3.97Å; A481-T484 WeakPolarHBondContact CA-OG1 3.43Å; A481-T484 PolarHBondContact O-OG1 2.88Å; A481-L485 WeakPolarHBondContact O-CG 3.24Å; A481-L485 PolarHBondContact O-N 3.47Å |
| 482 | A | 89.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.2 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G470 R474 K478 L479 E480 L485 E486 | G470-A482 VanDerWaalsContact O-CB 3.32Å; G470-A482 WeakPolarHBondContact O-CB 3.44Å; R474-A482 HydrophobicContact CB-CB 4.02Å; K478-A482 WeakPolarHBondContact O-CB 3.45Å; K478-A482 PolarHBondContact O-N 3.07Å; K478-A482 VanDerWaalsContact O-N 3.1Å; L479-A482 PolarHBondContact O-N 3.42Å; E480-A482 VanDerWaalsContact C-N 3.29Å; E480-A482 PolarHBondContact O-N 3.36Å; A482-L485 PolarHBondContact O-N 3.3Å; A482-E486 WeakPolarHBondContact O-CB 3.47Å; A482-E486 WeakPolarHBondContact O-CG 3.36Å; A482-E486 PolarHBondContact O-N 2.92Å |
| 483 | E | 87.6 | Confident | 82.6 | Confident | 90 Ų | 90 | 56.9 Ų | 56.9 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | -179.9 | -174.8 | 174.4 | -148.8 | 0 | 0 | 111.9 | R431 L479 E480 L485 E486 E487 | R431-E483 IonicContact NH2-OE2 3.92Å; L479-E483 PolarHBondContact O-N 3.27Å; E480-E483 PolarHBondContact O-N 3.06Å; E483-L485 PolarHBondContact O-N 2.95Å; E483-E486 PolarHBondContact O-N 3.5Å; E483-E487 HydrophobicContact CG-CG 4.41Å; E483-E487 WeakPolarHBondContact O-CB 3.39Å; E483-E487 WeakPolarHBondContact O-CG 3.35Å; E483-E487 PolarHBondContact O-N 3.28Å |
| 484 | T | 85.5 | Confident | 80.6 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 15% | 0.153 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 176.6 | 41 | 0 | 0 | 0 | 0 | 113.5 | A428 E480 A481 C488 | A428-T484 WeakPolarHBondContact CB-OG1 3.31Å; E480-T484 WeakPolarHBondContact O-CG2 3.49Å; E480-T484 PolarHBondContact O-N 2.94Å; E480-T484 VanDerWaalsContact O-N 3.09Å; E480-T484 PolarHBondContact O-OG1 3.28Å; A481-T484 WeakPolarHBondContact CA-OG1 3.43Å; A481-T484 PolarHBondContact O-OG1 2.88Å; T484-C488 PolarHBondContact O-N 2.99Å; T484-C488 VanDerWaalsContact O-N 3.12Å |
| 485 | L | 85.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 178.5 | -68.3 | -178.8 | 0 | 0 | 0 | 112.2 | I424 A428 L466 L469 Y473 A481 A482 E483 C488 A489 | I424-L485 HydrophobicContact CG2-CD2 3.94Å; A428-L485 HydrophobicContact CB-CD2 4.25Å; A428-L485 HydrophobicContact CB-CG 4.12Å; L466-L485 HydrophobicContact CD2-CD2 3.82Å; L469-L485 HydrophobicContact CB-CD1 3.98Å; L469-L485 HydrophobicContact CD2-CD1 3.73Å; L469-L485 HydrophobicContact CG-CD1 3.62Å; Y473-L485 HydrophobicContact CD2-CD1 3.56Å; Y473-L485 HydrophobicContact CE2-CD1 3.54Å; A481-L485 WeakPolarHBondContact O-CG 3.24Å; A481-L485 PolarHBondContact O-N 3.47Å; A482-L485 PolarHBondContact O-N 3.3Å; E483-L485 PolarHBondContact O-N 2.95Å; L485-C488 PolarHBondContact O-N 3.11Å; L485-A489 WeakPolarHBondContact O-CB 3.32Å; L485-A489 PolarHBondContact O-N 2.96Å |
| 486 | E | 85.4 | Confident | 76.2 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 176.9 | -73.9 | 177.5 | -167.7 | 0 | 0 | 111.9 | R474 A482 E483 C488 A489 V490 | R474-E486 IonicContact CZ-OE1 3.31Å; R474-E486 IonicContact NE-OE1 3.62Å; R474-E486 PolarHBondContact NE-OE1 2.93Å; R474-E486 IonicContact NH2-OE1 3.97Å; R474-E486 PolarHBondContact NH2-OE1 3.42Å; R474-E486 IonicContact NH2-OE2 2.66Å; R474-E486 PolarHBondContact NH2-OE2 3Å; A482-E486 WeakPolarHBondContact O-CB 3.47Å; A482-E486 WeakPolarHBondContact O-CG 3.36Å; A482-E486 PolarHBondContact O-N 2.92Å; E483-E486 PolarHBondContact O-N 3.5Å; E486-C488 PolarHBondContact O-N 3.45Å; E486-A489 WeakPolarHBondContact O-CB 3.49Å; E486-A489 PolarHBondContact O-N 3.27Å; E486-V490 WeakPolarHBondContact O-CG2 3.49Å; E486-V490 PolarHBondContact O-N 3.3Å |
| 487 | E | 84.3 | Confident | 73.7 | Confident | 57 Ų | 57 | 57.3 Ų | 57.3 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 173.4 | -83.8 | -167.6 | -137.7 | 0 | 0 | 111.8 | E483 A489 V490 R491 | E483-E487 HydrophobicContact CG-CG 4.41Å; E483-E487 WeakPolarHBondContact O-CB 3.39Å; E483-E487 WeakPolarHBondContact O-CG 3.35Å; E483-E487 PolarHBondContact O-N 3.28Å; E487-A489 VanDerWaalsContact C-N 3.31Å; E487-A489 PolarHBondContact O-N 3.44Å; E487-V490 PolarHBondContact O-N 3.16Å; E487-R491 WeakPolarHBondContact O-CG 3.5Å; E487-R491 PolarHBondContact O-N 3.39Å; E487-R491 IonicContact OE2-CZ 3.43Å; E487-R491 IonicContact OE2-NE 2.64Å; E487-R491 IonicContact OE2-NH2 3.06Å; E487-R491 PolarHBondContact OE2-NH2 3.42Å |
| 488 | C | 79.9 | Confident | 71 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.014 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.7 | -40 | 176.6 | -170.4 | 0 | 0 | 0 | 0 | 111 | I424 C455 L466 T484 L485 E486 V490 R491 S492 | I424-C488 HydrophobicContact CD1-CB 3.81Å; I424-C488 WeakPolarHBondContact CD1-SG 3.37Å; C455-C488 WeakPolarHBondContact CB-SG 3.32Å; C455-C488 WeakPolarHBondContact SG-CB 3.48Å; C455-C488 CovalentContact SG-SG 2.07Å; C455-C488 PolarHBondContact SG-SG 3.33Å; L466-C488 HydrophobicContact CD1-CB 4.46Å; T484-C488 PolarHBondContact O-N 2.99Å; T484-C488 VanDerWaalsContact O-N 3.12Å; L485-C488 PolarHBondContact O-N 3.11Å; E486-C488 PolarHBondContact O-N 3.45Å; C488-V490 VanDerWaalsContact C-N 3.28Å; C488-V490 PolarHBondContact O-N 3.44Å; C488-R491 PolarHBondContact O-N 3.49Å; C488-S492 PolarHBondContact O-N 3Å; C488-S492 PolarHBondContact O-OG 2.96Å; C488-S492 VanDerWaalsContact O-OG 3.13Å |
| 489 | A | 79.7 | Confident | 68.6 | Low | 3 Ų | 3 | 62.7 Ų | 62.7 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.8 | -35.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N463 L466 R467 L485 E486 E487 | N463-A489 WeakPolarHBondContact ND2-CA 3.5Å; N463-A489 PolarHBondContact ND2-O 3.02Å; L466-A489 HydrophobicContact CB-CB 3.98Å; L466-A489 HydrophobicContact CD1-CB 4.39Å; R467-A489 HydrophobicContact CG-CB 3.83Å; L485-A489 WeakPolarHBondContact O-CB 3.32Å; L485-A489 PolarHBondContact O-N 2.96Å; E486-A489 WeakPolarHBondContact O-CB 3.49Å; E486-A489 PolarHBondContact O-N 3.27Å; E487-A489 VanDerWaalsContact C-N 3.31Å; E487-A489 PolarHBondContact O-N 3.44Å |
| 490 | V | 76.3 | Confident | 66.5 | Low | 80 Ų | 80 | 63.4 Ų | 63.4 | 49% | 0.485 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -73.5 | -40 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | E486 E487 C488 R493 K494 | E486-V490 WeakPolarHBondContact O-CG2 3.49Å; E486-V490 PolarHBondContact O-N 3.3Å; E487-V490 PolarHBondContact O-N 3.16Å; C488-V490 VanDerWaalsContact C-N 3.28Å; C488-V490 PolarHBondContact O-N 3.44Å; V490-R493 WeakPolarHBondContact O-CB 3.43Å; V490-R493 PolarHBondContact O-N 2.9Å; V490-K494 PolarHBondContact O-N 3.22Å |
| 491 | R | 69.1 | Low | 64.1 | Low | 109 Ų | 109 | 66.5 Ų | 66.5 | 41% | 0.411 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 179.9 | -70 | 177.4 | -165.1 | -157.9 | 7 | 112.6 | E487 C488 R493 K494 Q495 | E487-R491 WeakPolarHBondContact O-CG 3.5Å; E487-R491 PolarHBondContact O-N 3.39Å; E487-R491 IonicContact OE2-CZ 3.43Å; E487-R491 IonicContact OE2-NE 2.64Å; E487-R491 IonicContact OE2-NH2 3.06Å; E487-R491 PolarHBondContact OE2-NH2 3.42Å; C488-R491 PolarHBondContact O-N 3.49Å; R491-R493 PolarHBondContact O-N 3.49Å; R491-K494 PolarHBondContact O-N 2.86Å; R491-Q495 PolarHBondContact O-N 3.28Å; R491-Q495 VanDerWaalsContact O-N 3.15Å |
| 492 | S | 58.6 | Low | 61.7 | Low | 7 Ų | 7 | 71 Ų | 71 | 5% | 0.049 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.9 | -29.7 | 174 | -51.3 | 0 | 0 | 0 | 0 | 112.1 | C455 N458 C488 G496 | C455-S492 PolarHBondContact O-OG 3.02Å; N458-S492 PolarHBondContact OD1-O 2.68Å; C488-S492 PolarHBondContact O-N 3Å; C488-S492 PolarHBondContact O-OG 2.96Å; C488-S492 VanDerWaalsContact O-OG 3.13Å; S492-G496 PolarHBondContact O-N 3.32Å; S492-G496 VanDerWaalsContact O-N 3.16Å |
| 493 | R | 50 | Low | 59.4 | Low | 145 Ų | 145 | 74.5 Ų | 74.5 | 55% | 0.547 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.2 | -36.6 | 173.8 | -163.9 | -170.5 | -66.1 | -171.9 | -0.1 | 112.3 | V490 R491 Q495 G496 I497 | V490-R493 WeakPolarHBondContact O-CB 3.43Å; V490-R493 PolarHBondContact O-N 2.9Å; R491-R493 PolarHBondContact O-N 3.49Å; R493-Q495 VanDerWaalsContact C-N 3.33Å; R493-G496 PolarHBondContact O-N 3.04Å; R493-I497 HydrophobicContact CG-CD1 4.3Å; R493-I497 WeakPolarHBondContact O-CG1 3.33Å; R493-I497 PolarHBondContact O-N 3.47Å |
| 494 | K | 49 | Very low | 57.3 | Low | 124 Ų | 124 | 78.5 Ų | 78.5 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70.8 | -27 | 177.1 | -72.9 | -175.9 | 179.5 | -180 | 0 | 112.9 | V490 R491 | V490-K494 PolarHBondContact O-N 3.22Å; R491-K494 PolarHBondContact O-N 2.86Å |
| 495 | Q | 48.4 | Very low | 55 | Low | 119 Ų | 119 | 81.6 Ų | 81.6 | 56% | 0.556 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -82.9 | -23.9 | 173.7 | -72.2 | 177.8 | 3.9 | 0 | 0 | 113.3 | R491 R493 | R491-Q495 PolarHBondContact O-N 3.28Å; R491-Q495 VanDerWaalsContact O-N 3.15Å; R493-Q495 VanDerWaalsContact C-N 3.33Å |
| 496 | G | 41.9 | Very low | 53 | Low | 60 Ų | 60 | 84.9 Ų | 84.9 | 62% | 0.619 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -87.8 | -0.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S492 R493 | S492-G496 PolarHBondContact O-N 3.32Å; S492-G496 VanDerWaalsContact O-N 3.16Å; R493-G496 PolarHBondContact O-N 3.04Å |
| 497 | I | 38.4 | Very low | 51 | Low | 76 Ų | 76 | 87.3 Ų | 87.3 | 39% | 0.39 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -103.5 | 114.1 | 167.2 | -64.1 | 164.1 | 0 | 0 | 0 | 104.8 | R493 H501 | R493-I497 HydrophobicContact CG-CD1 4.3Å; R493-I497 WeakPolarHBondContact O-CG1 3.33Å; R493-I497 PolarHBondContact O-N 3.47Å; I497-H501 HydrophobicContact CG2-CB 3.72Å |
| 498 | D | 31.3 | Very low | 49.1 | Very low | 106 Ų | 106 | 90.5 Ų | 90.5 | 57% | 0.567 | 46% | 0.459 | S | S | * | . | trans | -45.5 | 139.6 | 172.2 | -89.7 | -40.9 | 0 | 0 | 0 | 110.3 | I500 H501 | D498-I500 HydrophobicContact CB-CB 4.26Å; D498-I500 HydrophobicContact CB-CD1 4.36Å; D498-I500 HydrophobicContact CB-CG1 4.36Å; D498-I500 PolarHBondContact O-N 2.95Å; D498-H501 PolarHBondContact O-N 3.32Å | ||
| 499 | P | 40.9 | Very low | 47.3 | Very low | 95 Ų | 95 | 96.3 Ų | 96.3 | 62% | 0.617 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -50.6 | -23.4 | 176.9 | -24.1 | 31.3 | 0 | 0 | 0 | 113.2 | H501 Q502 T503 | P499-H501 VanDerWaalsContact C-N 3.3Å; P499-H501 PolarHBondContact O-N 3.49Å; P499-Q502 PolarHBondContact O-N 2.96Å; P499-T503 PolarHBondContact O-N 3.05Å; P499-T503 PolarHBondContact O-OG1 3.02Å |
| 500 | I | 43.1 | Very low | 45.3 | Very low | 115 Ų | 115 | 103.6 Ų | 103.6 | 59% | 0.59 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.2 | -34.8 | 179.2 | -58.2 | 170.1 | 0 | 0 | 0 | 113 | D498 | D498-I500 HydrophobicContact CB-CB 4.26Å; D498-I500 HydrophobicContact CB-CD1 4.36Å; D498-I500 HydrophobicContact CB-CG1 4.36Å; D498-I500 PolarHBondContact O-N 2.95Å |
| 501 | H | 36 | Very low | 43.3 | Very low | 120 Ų | 120 | 106.8 Ų | 106.8 | 56% | 0.556 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -84 | -25.6 | -179.1 | -79.9 | -73.1 | 0 | 0 | 0 | 113.2 | I497 D498 P499 V505 | I497-H501 HydrophobicContact CG2-CB 3.72Å; D498-H501 PolarHBondContact O-N 3.32Å; P499-H501 VanDerWaalsContact C-N 3.3Å; P499-H501 PolarHBondContact O-N 3.49Å; H501-V505 WeakPolarHBondContact O-CG2 3.42Å; H501-V505 PolarHBondContact O-N 3.46Å |
| 502 | Q | 36.3 | Very low | 41.8 | Very low | 94 Ų | 94 | 106.4 Ų | 106.4 | 44% | 0.439 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -79.6 | -33.4 | -179.7 | -148.8 | 165.5 | 26.2 | 0 | 0 | 111.5 | P499 R504 V505 V506 | P499-Q502 PolarHBondContact O-N 2.96Å; Q502-R504 VanDerWaalsContact C-N 3.34Å; Q502-R504 PolarHBondContact O-N 3.21Å; Q502-V505 PolarHBondContact O-N 3.34Å; Q502-V506 WeakPolarHBondContact O-CB 3.38Å; Q502-V506 VanDerWaalsContact O-CG2 3.32Å; Q502-V506 WeakPolarHBondContact O-CG2 3.25Å; Q502-V506 PolarHBondContact O-N 3.39Å |
| 503 | T | 41.2 | Very low | 40.6 | Very low | 74 Ų | 74 | 113.4 Ų | 113.4 | 45% | 0.454 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.6 | -41.4 | 173.3 | -30.8 | 0 | 0 | 0 | 0 | 111.5 | P499 V505 V506 E507 | P499-T503 PolarHBondContact O-N 3.05Å; P499-T503 PolarHBondContact O-OG1 3.02Å; T503-V505 PolarHBondContact O-N 3.33Å; T503-V506 PolarHBondContact O-N 2.88Å; T503-E507 WeakPolarHBondContact O-CB 3.41Å; T503-E507 WeakPolarHBondContact O-CG 3.32Å; T503-E507 PolarHBondContact O-N 2.87Å |
| 504 | R | 41.5 | Very low | 39.6 | Very low | 174 Ų | 174 | 110.2 Ų | 110.2 | 66% | 0.657 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.8 | -35.4 | 177 | -99.4 | 180 | 177.5 | 168.5 | 0.7 | 114.3 | Q502 I508 | Q502-R504 VanDerWaalsContact C-N 3.34Å; Q502-R504 PolarHBondContact O-N 3.21Å; R504-I508 VanDerWaalsContact O-CD1 3.3Å; R504-I508 WeakPolarHBondContact O-CD1 3.41Å; R504-I508 WeakPolarHBondContact O-CG1 3.46Å; R504-I508 PolarHBondContact O-N 3.04Å |
| 505 | V | 38.6 | Very low | 38.7 | Very low | 89 Ų | 89 | 113.6 Ų | 113.6 | 54% | 0.539 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -80.5 | -31.2 | -179.7 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | H501 Q502 T503 L509 | H501-V505 WeakPolarHBondContact O-CG2 3.42Å; H501-V505 PolarHBondContact O-N 3.46Å; Q502-V505 PolarHBondContact O-N 3.34Å; T503-V505 PolarHBondContact O-N 3.33Å; V505-L509 HydrophobicContact CG1-CD1 4.3Å; V505-L509 PolarHBondContact O-N 3.39Å |
| 506 | V | 43.3 | Very low | 37.6 | Very low | 69 Ų | 69 | 119.3 Ų | 119.3 | 42% | 0.418 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -78.5 | -32.3 | 176.3 | 174.5 | 0 | 0 | 0 | 0 | 112 | Q502 T503 L509 K510 | Q502-V506 WeakPolarHBondContact O-CB 3.38Å; Q502-V506 VanDerWaalsContact O-CG2 3.32Å; Q502-V506 WeakPolarHBondContact O-CG2 3.25Å; Q502-V506 PolarHBondContact O-N 3.39Å; T503-V506 PolarHBondContact O-N 2.88Å; V506-L509 PolarHBondContact O-N 3.39Å; V506-K510 HydrophobicContact CG1-CD 4.16Å; V506-K510 HydrophobicContact CG1-CG 4.46Å; V506-K510 WeakPolarHBondContact O-CB 2.92Å; V506-K510 WeakPolarHBondContact O-CG 3.38Å; V506-K510 PolarHBondContact O-N 3.06Å; V506-K510 VanDerWaalsContact O-N 3.11Å |
| 507 | E | 43.6 | Very low | 36.9 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 54% | 0.542 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -66.9 | -42.1 | 172 | -80 | 174.8 | 163.3 | 0 | 0 | 111.8 | T503 L509 K510 D511 | T503-E507 WeakPolarHBondContact O-CB 3.41Å; T503-E507 WeakPolarHBondContact O-CG 3.32Å; T503-E507 PolarHBondContact O-N 2.87Å; E507-L509 PolarHBondContact O-N 3.39Å; E507-K510 PolarHBondContact O-N 2.96Å; E507-D511 PolarHBondContact O-N 3.32Å |
| 508 | I | 44.8 | Very low | 36.3 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -66.7 | -25.1 | 178.7 | -67.8 | 169 | 0 | 0 | 0 | 112.6 | R504 | R504-I508 VanDerWaalsContact O-CD1 3.3Å; R504-I508 WeakPolarHBondContact O-CD1 3.41Å; R504-I508 WeakPolarHBondContact O-CG1 3.46Å; R504-I508 PolarHBondContact O-N 3.04Å |
| 509 | L | 40.5 | Very low | 36 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 64% | 0.644 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -95.8 | -9.7 | 178.4 | -75.8 | 166.6 | 0 | 0 | 0 | 114.1 | V505 V506 E507 | V505-L509 HydrophobicContact CG1-CD1 4.3Å; V505-L509 PolarHBondContact O-N 3.39Å; V506-L509 PolarHBondContact O-N 3.39Å; E507-L509 PolarHBondContact O-N 3.39Å |
| 510 | K | 38.1 | Very low | 35.2 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 68% | 0.683 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -90.3 | -18.5 | 175 | -84.5 | -174.9 | 173.9 | -174.4 | 0 | 113.7 | V506 E507 T512 | V506-K510 HydrophobicContact CG1-CD 4.16Å; V506-K510 HydrophobicContact CG1-CG 4.46Å; V506-K510 WeakPolarHBondContact O-CB 2.92Å; V506-K510 WeakPolarHBondContact O-CG 3.38Å; V506-K510 PolarHBondContact O-N 3.06Å; V506-K510 VanDerWaalsContact O-N 3.11Å; E507-K510 PolarHBondContact O-N 2.96Å; K510-T512 VanDerWaalsContact C-N 3.31Å; K510-T512 PolarHBondContact O-N 3.49Å |
| 511 | D | 35.7 | Very low | 34.3 | Very low | 146 Ų | 146 | 145 Ų | 145 | 78% | 0.781 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 6.3 | -179.1 | -78.8 | -12.9 | 0 | 0 | 0 | 114.9 | E507 | E507-D511 PolarHBondContact O-N 3.32Š|
| 512 | T | 36.4 | Very low | 33.7 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -1.1 | -178.2 | 52.8 | 0 | 0 | 0 | 0 | 116.8 | K510 | K510-T512 VanDerWaalsContact C-N 3.31Å; K510-T512 PolarHBondContact O-N 3.49Å |
| 513 | D | 33.9 | Very low | 33.1 | Very low | 153 Ų | 153 | 148.2 Ų | 148.2 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -144.2 | 96.7 | 178.5 | -86.8 | -46.9 | 0 | 0 | 0 | 111.3 | ||
| 514 | G | 29.2 | Very low | 32.3 | Very low | 78 Ų | 78 | 151.3 Ų | 151.3 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -172.7 | 9.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 515 | E | 28.9 | Very low | 31.3 | Very low | 196 Ų | 196 | 148 Ų | 148 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | trans | -136.4 | 76.1 | 167.8 | -84.4 | -164.9 | 153.5 | 0 | 0 | 112.6 | ||||
| 516 | R | 26.8 | Very low | 30.5 | Very low | 239 Ų | 239 | 149.4 Ų | 149.4 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | -141.6 | 123.7 | 150 | -82.6 | -168.2 | 177 | 170.3 | -1.1 | 110.5 | ||||
| 517 | R | 26.3 | Very low | 29.5 | Very low | 240 Ų | 240 | 155.5 Ų | 155.5 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | 91 | 103.3 | 165.5 | -58.3 | 176.6 | 168.3 | 175.5 | -3.1 | 115.1 | ||||
| 518 | R | 27 | Very low | 28.4 | Very low | 249 Ų | 249 | 160.7 Ų | 160.7 | 94% | 0.94 | 81% | 0.805 | S | S | * | * | -178.5 | 121.8 | 82.5 | -88.8 | 178.3 | -179.7 | -175.2 | 0.4 | 109.5 | |||||
| 519 | S | 24.6 | Very low | 27.3 | Very low | 129 Ų | 129 | 164.5 Ų | 164.5 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -158.7 | 114.6 | 135.4 | -165.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 520 | R | 24 | Very low | 26.3 | Very low | 229 Ų | 229 | 164.7 Ų | 164.7 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | trans | -128.8 | 108.8 | 170.4 | 175.3 | 175.3 | 177.7 | 164.2 | -0.5 | 102.9 | ||||
| 521 | D | 23.3 | Very low | 25.7 | Very low | 144 Ų | 144 | 160.9 Ų | 160.9 | 77% | 0.77 | 84% | 0.837 | S | S | * | * | trans | -172.2 | 140.4 | 136.2 | -90.8 | -20 | 0 | 0 | 0 | 112.7 | ||||
| 522 | S | 24.8 | Very low | 25.1 | Very low | 118 Ų | 118 | 159.1 Ų | 159.1 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | 81.1 | 108.2 | 152.1 | -62.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 523 | L | 23.9 | Very low | 24.5 | Very low | 164 Ų | 164 | 162.8 Ų | 162.8 | 86% | 0.859 | 85% | 0.847 | S | S | * | * | trans | -60.1 | 151.5 | 167.1 | -66.5 | 127.7 | 0 | 0 | 0 | 113.6 | ||||
| 524 | T | 22.8 | Very low | 24 | Very low | 139 Ų | 139 | 162.3 Ų | 162.3 | 85% | 0.853 | 85% | 0.849 | S | S | * | * | 177.8 | 124.9 | 116.6 | 36.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 525 | S | 22.1 | Very low | 23.8 | Very low | 103 Ų | 103 | 162.3 Ų | 162.3 | 72% | 0.72 | 85% | 0.85 | S | S | * | * | 64.8 | 109.2 | 128.7 | -163.7 | 0 | 0 | 0 | 0 | 124 | |||||
| 526 | V | 20.7 | Very low | 23.6 | Very low | 120 Ų | 120 | 161.8 Ų | 161.8 | 73% | 0.727 | 85% | 0.847 | S | S | * | * | 56.6 | 120.8 | 123.5 | -172.1 | 0 | 0 | 0 | 0 | 120 | |||||
| 527 | K | 21.8 | Very low | 23.5 | Very low | 197 Ų | 197 | 158.5 Ų | 158.5 | 86% | 0.857 | 84% | 0.842 | S | S | * | * | 169.2 | 148.9 | 94.5 | -138.2 | 161.9 | -171.8 | -173.2 | 0 | 113.1 | |||||
| 528 | Y | 20.3 | Very low | 23.4 | Very low | 225 Ų | 225 | 152.9 Ų | 152.9 | 88% | 0.882 | 83% | 0.834 | S | S | * | * | trans | -72.2 | 151 | 173.8 | -85.9 | -103.5 | 0 | 0 | 0 | 113.2 | ||||
| 529 | E | 22 | Very low | 23.2 | Very low | 204 Ų | 204 | 146.5 Ų | 146.5 | 95% | 0.953 | 83% | 0.827 | S | S | * | * | trans | -161.4 | 151.1 | 131.9 | -120.2 | 170 | -168 | 0 | 0 | 112.7 | ||||
| 530 | S | 20.4 | Very low | 23.2 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | trans | -101.9 | 153.6 | -164.1 | -166.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 531 | G | 24.5 | Very low | 23 | Very low | 77 Ų | 77 | 141.5 Ų | 141.5 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -173.9 | 108.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 532 | S | 23.2 | Very low | 23 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | -74.5 | 149.2 | -175.3 | 49 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 533 | E | 24 | Very low | 23 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | -177.4 | 114.5 | 121.7 | -102.1 | 175.5 | 173 | 0 | 0 | 112.4 | |||||
| 534 | T | 23.6 | Very low | 22.9 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | trans | 31.7 | 124.5 | 142.3 | 56.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 535 | G | 26.2 | Very low | 23.1 | Very low | 79 Ų | 79 | 147 Ų | 147 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | 169.8 | 78.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 536 | E | 24.3 | Very low | 23.2 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -34.5 | 143.1 | 168.5 | -82.5 | 167.6 | 171.6 | 0 | 0 | 113.7 | ||||
| 537 | E | 23.1 | Very low | 23.5 | Very low | 170 Ų | 170 | 146.8 Ų | 146.8 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | cis | -169.3 | 146.3 | 45.3 | -133.6 | -174.4 | -172.1 | 0 | 0 | 112.8 | ||||
| 538 | V | 25.4 | Very low | 24.2 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 74% | 0.739 | 82% | 0.817 | S | S | * | * | trans | 68.2 | 91.4 | 153.6 | -153.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 539 | S | 22.1 | Very low | 24.8 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -72.2 | 148.9 | 145.5 | -74.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 540 | M | 24 | Very low | 25.7 | Very low | 195 Ų | 195 | 130.8 Ų | 130.8 | 96% | 0.961 | 81% | 0.812 | S | S | * | * | trans | -168.7 | 118.1 | 134.5 | -113.9 | 171 | 176.8 | 0 | 0 | 106.5 | ||||
| 541 | G | 21.6 | Very low | 26 | Very low | 59 Ų | 59 | 128.9 Ų | 128.9 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | cis | 116.6 | 113.8 | 23 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 542 | V | 22.8 | Very low | 26.2 | Very low | 126 Ų | 126 | 134 Ų | 134 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | 79.8 | 133.7 | 146.5 | -166.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 543 | E | 23.4 | Very low | 26.6 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 73% | 0.729 | 82% | 0.816 | S | S | * | * | cis | -164.1 | 136.2 | 37.1 | -138.5 | 144.3 | -137.8 | 0 | 0 | 108.5 | ||||
| 544 | W | 22.8 | Very low | 27.1 | Very low | 248 Ų | 248 | 140.4 Ų | 140.4 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | trans | -96.4 | 111.6 | 164.8 | -121.1 | 67.2 | 0 | 0 | 0 | 107 | ||||
| 545 | N | 26.3 | Very low | 27.7 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -114.8 | 97.4 | 160.9 | -85.3 | -29 | 0 | 0 | 0 | 107.2 | ||||
| 546 | G | 25.6 | Very low | 28.5 | Very low | 64 Ų | 64 | 138.7 Ų | 138.7 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 117.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 547 | D | 25.9 | Very low | 29.6 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 132.8 | 153.2 | 72.6 | -20.1 | 0 | 0 | 0 | 109.1 | S549 | D547-S549 PolarHBondContact O-N 2.99Š|
| 548 | G | 37.5 | Very low | 30.8 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 124.3 | -171 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 549 | S | 31.6 | Very low | 31.9 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -150.6 | 129.2 | 141.4 | 56.9 | 0 | 0 | 0 | 0 | 109.5 | D547 A551 | D547-S549 PolarHBondContact O-N 2.99Å; S549-A551 PolarHBondContact O-N 3.15Å | ||
| 550 | G | 41.1 | Very low | 33.5 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 92% | 0.918 | 78% | 0.78 | S | S | * | * | trans | -70.3 | 118.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 551 | A | 27.7 | Very low | 34.5 | Very low | 86 Ų | 86 | 127.3 Ų | 127.3 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | -152.5 | 106.4 | 148.9 | 0 | 0 | 0 | 0 | 0 | 109 | S549 Q553 | S549-A551 PolarHBondContact O-N 3.15Å; A551-Q553 PolarHBondContact O-N 3.37Å | ||
| 552 | L | 28.2 | Very low | 36.2 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 97% | 0.974 | 77% | 0.766 | S | S | * | * | trans | -70 | 95.5 | 173.3 | -112.4 | 83.6 | 0 | 0 | 0 | 109.4 | ||||
| 553 | Q | 32.1 | Very low | 37.6 | Very low | 180 Ų | 180 | 130.7 Ų | 130.7 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | trans | -75.4 | 124.7 | 164.4 | -80.6 | -84.7 | -27.9 | 0 | 0 | 109.4 | A551 S555 | A551-Q553 PolarHBondContact O-N 3.37Å; Q553-S555 PolarHBondContact O-N 3.34Å | ||
| 554 | R | 33.4 | Very low | 39.4 | Very low | 241 Ų | 241 | 127.8 Ų | 127.8 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | trans | -71.7 | 113.3 | 173.4 | -68.9 | -179.4 | 171.5 | -162.5 | -3.8 | 109.8 | ||||
| 555 | S | 36.3 | Very low | 40.9 | Very low | 122 Ų | 122 | 121 Ų | 121 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | trans | -64.4 | 150.5 | 156.7 | 51.1 | 0 | 0 | 0 | 0 | 109.2 | Q553 | Q553-S555 PolarHBondContact O-N 3.34Š| ||
| 556 | G | 43.7 | Very low | 42.7 | Very low | 64 Ų | 64 | 120.3 Ų | 120.3 | 66% | 0.66 | 71% | 0.707 | S | S | * | * | cis | 156.6 | 76.4 | 5.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 557 | S | 47.2 | Very low | 44.4 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -130 | -22.8 | 170 | 63.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 558 | L | 47.9 | Very low | 45.9 | Very low | 140 Ų | 140 | 121.2 Ų | 121.2 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -87.9 | -23.8 | -179.4 | -67.5 | 172.6 | 0 | 0 | 0 | 114.3 | L561 R562 | L558-L561 PolarHBondContact O-N 2.86Å; L558-R562 PolarHBondContact O-N 2.91Å; L558-R562 VanDerWaalsContact O-N 3.14Å |
| 559 | G | 49.8 | Very low | 46.7 | Very low | 44 Ų | 44 | 120 Ų | 120 | 45% | 0.454 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -65.6 | -45.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L561 R562 D563 | G559-L561 VanDerWaalsContact C-N 3.28Å; G559-L561 PolarHBondContact O-N 3.35Å; G559-R562 PolarHBondContact O-N 3.39Å; G559-D563 PolarHBondContact O-N 2.93Å |
| 560 | K | 54.5 | Low | 48 | Very low | 164 Ų | 164 | 119.8 Ų | 119.8 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -62.1 | -35.5 | 178.1 | -65.3 | 180 | 180 | 176.6 | 0 | 112.1 | V564 | K560-V564 WeakPolarHBondContact O-CG2 3.34Å; K560-V564 PolarHBondContact O-N 3.45Å; K560-V564 VanDerWaalsContact O-N 3.1Å |
| 561 | L | 44.6 | Very low | 48.6 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 57% | 0.571 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.7 | -36.1 | 178.8 | -136.4 | 127.5 | 0 | 0 | 0 | 111.7 | L558 G559 V564 L565 | L558-L561 PolarHBondContact O-N 2.86Å; G559-L561 VanDerWaalsContact C-N 3.28Å; G559-L561 PolarHBondContact O-N 3.35Å; L561-V564 PolarHBondContact O-N 3.23Å; L561-L565 HydrophobicContact CD2-CD1 3.88Å; L561-L565 WeakPolarHBondContact O-CD1 3.47Å; L561-L565 PolarHBondContact O-N 2.88Å |
| 562 | R | 57.4 | Low | 49.8 | Very low | 189 Ų | 189 | 123.6 Ų | 123.6 | 71% | 0.713 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.3 | -38.5 | 174.6 | -125.4 | 178.8 | -171.5 | -173 | 2.5 | 112.4 | L558 G559 L565 R566 | L558-R562 PolarHBondContact O-N 2.91Å; L558-R562 VanDerWaalsContact O-N 3.14Å; G559-R562 PolarHBondContact O-N 3.39Å; R562-L565 PolarHBondContact O-N 3.22Å; R562-R566 WeakPolarHBondContact O-CB 3.36Å; R562-R566 PolarHBondContact O-N 2.89Å |
| 563 | D | 52.9 | Low | 51.4 | Low | 66 Ų | 66 | 118.2 Ų | 118.2 | 35% | 0.353 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.4 | -33.2 | 177.7 | -69.7 | -30.5 | 0 | 0 | 0 | 112.5 | G559 R566 R567 | G559-D563 PolarHBondContact O-N 2.93Å; D563-R566 IonicContact OD1-CZ 2.67Å; D563-R566 IonicContact OD1-NH1 2.7Å; D563-R566 PolarHBondContact OD1-NH1 3.05Å; D563-R567 WeakPolarHBondContact O-CG 3.39Å; D563-R567 PolarHBondContact O-N 3.44Å |
| 564 | V | 61.5 | Low | 52.4 | Low | 95 Ų | 95 | 116.5 Ų | 116.5 | 58% | 0.576 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.7 | -43.5 | 172.4 | 171 | 0 | 0 | 0 | 0 | 111.2 | K560 L561 R566 R567 S568 | K560-V564 WeakPolarHBondContact O-CG2 3.34Å; K560-V564 PolarHBondContact O-N 3.45Å; K560-V564 VanDerWaalsContact O-N 3.1Å; L561-V564 PolarHBondContact O-N 3.23Å; V564-R566 PolarHBondContact O-N 2.93Å; V564-R567 PolarHBondContact O-N 3.44Å; V564-S568 WeakPolarHBondContact O-CB 3.27Å; V564-S568 PolarHBondContact O-N 3.22Å; V564-S568 PolarHBondContact O-OG 3.07Å |
| 565 | L | 54.7 | Low | 53.4 | Low | 107 Ų | 107 | 113.7 Ų | 113.7 | 56% | 0.56 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.1 | -41.8 | 175 | -100.4 | 117.7 | 0 | 0 | 0 | 111.9 | L561 R562 S568 S569 | L561-L565 HydrophobicContact CD2-CD1 3.88Å; L561-L565 WeakPolarHBondContact O-CD1 3.47Å; L561-L565 PolarHBondContact O-N 2.88Å; R562-L565 PolarHBondContact O-N 3.22Å; L565-S568 WeakPolarHBondContact CA-OG 3.33Å; L565-S568 PolarHBondContact O-N 2.99Å; L565-S568 PolarHBondContact O-OG 3.36Å; L565-S569 PolarHBondContact O-N 3.26Å; L565-S569 PolarHBondContact O-OG 3.43Å |
| 566 | R | 63.9 | Low | 54.1 | Low | 135 Ų | 135 | 114.7 Ų | 114.7 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.3 | -46.9 | 177.4 | -166.7 | -178.6 | -63.5 | 142.1 | 2.8 | 111.9 | R562 D563 V564 S568 S569 E570 | R562-R566 WeakPolarHBondContact O-CB 3.36Å; R562-R566 PolarHBondContact O-N 2.89Å; D563-R566 IonicContact OD1-CZ 2.67Å; D563-R566 IonicContact OD1-NH1 2.7Å; D563-R566 PolarHBondContact OD1-NH1 3.05Å; V564-R566 PolarHBondContact O-N 2.93Å; R566-S568 PolarHBondContact O-N 3.39Å; R566-S569 PolarHBondContact O-N 3.19Å; R566-S569 PolarHBondContact O-OG 3.29Å; R566-E570 PolarHBondContact O-N 3.18Å |
| 567 | R | 60.6 | Low | 54.4 | Low | 167 Ų | 167 | 118.5 Ų | 118.5 | 63% | 0.63 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.3 | -37.9 | 177.1 | -71.5 | 175 | -172.1 | 157.3 | 3.7 | 112.9 | D563 V564 E570 M571 | D563-R567 WeakPolarHBondContact O-CG 3.39Å; D563-R567 PolarHBondContact O-N 3.44Å; V564-R567 PolarHBondContact O-N 3.44Å; R567-E570 PolarHBondContact O-N 3.25Å; R567-M571 VanDerWaalsContact O-CG 3.32Å; R567-M571 WeakPolarHBondContact O-CG 3.46Å; R567-M571 PolarHBondContact O-N 3.1Å; R567-M571 VanDerWaalsContact O-N 3.11Å |
| 568 | S | 57 | Low | 54.5 | Low | 69 Ų | 69 | 117.3 Ų | 117.3 | 48% | 0.483 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.1 | -36.9 | 176.5 | 72.7 | 0 | 0 | 0 | 0 | 112.3 | V564 L565 R566 L572 | V564-S568 WeakPolarHBondContact O-CB 3.27Å; V564-S568 PolarHBondContact O-N 3.22Å; V564-S568 PolarHBondContact O-OG 3.07Å; L565-S568 WeakPolarHBondContact CA-OG 3.33Å; L565-S568 PolarHBondContact O-N 2.99Å; L565-S568 PolarHBondContact O-OG 3.36Å; R566-S568 PolarHBondContact O-N 3.39Å; S568-L572 PolarHBondContact O-N 3.39Å; S568-L572 VanDerWaalsContact O-N 3.16Å |
| 569 | S | 54.6 | Low | 54.7 | Low | 59 Ų | 59 | 117.6 Ų | 117.6 | 41% | 0.413 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70 | -37 | 175.5 | 63.8 | 0 | 0 | 0 | 0 | 112.7 | L565 R566 L572 V573 | L565-S569 PolarHBondContact O-N 3.26Å; L565-S569 PolarHBondContact O-OG 3.43Å; R566-S569 PolarHBondContact O-N 3.19Å; R566-S569 PolarHBondContact O-OG 3.29Å; S569-L572 PolarHBondContact O-N 3.08Å; S569-V573 WeakPolarHBondContact O-CB 3.47Å; S569-V573 VanDerWaalsContact O-CG2 3.24Å; S569-V573 WeakPolarHBondContact O-CG2 3.07Å; S569-V573 PolarHBondContact O-N 2.94Å |
| 570 | E | 58.3 | Low | 54.5 | Low | 114 Ų | 114 | 118.7 Ų | 118.7 | 53% | 0.533 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.5 | -37.1 | 175.9 | -78 | 173.5 | 178 | 0 | 0 | 112.7 | R566 R567 V573 K574 | R566-E570 PolarHBondContact O-N 3.18Å; R567-E570 PolarHBondContact O-N 3.25Å; E570-V573 PolarHBondContact O-N 2.94Å; E570-K574 WeakPolarHBondContact O-CB 3.38Å; E570-K574 PolarHBondContact O-N 3.48Å |
| 571 | M | 54.8 | Low | 54 | Low | 141 Ų | 141 | 116.7 Ų | 116.7 | 70% | 0.695 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.5 | -37.3 | 175.2 | -74.3 | -96.2 | -116.7 | 0 | 0 | 112.4 | R567 K575 | R567-M571 VanDerWaalsContact O-CG 3.32Å; R567-M571 WeakPolarHBondContact O-CG 3.46Å; R567-M571 PolarHBondContact O-N 3.1Å; R567-M571 VanDerWaalsContact O-N 3.11Å; M571-K575 PolarHBondContact O-N 3.14Å |
| 572 | L | 53.3 | Low | 53.9 | Low | 113 Ų | 113 | 118 Ų | 118 | 59% | 0.592 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.4 | -41.1 | 176.5 | -160.8 | 81.1 | 0 | 0 | 0 | 111.2 | S568 S569 K575 L576 | S568-L572 PolarHBondContact O-N 3.39Å; S568-L572 VanDerWaalsContact O-N 3.16Å; S569-L572 PolarHBondContact O-N 3.08Å; L572-K575 PolarHBondContact O-N 3.47Å; L572-L576 HydrophobicContact CG-CD1 4.43Å; L572-L576 WeakPolarHBondContact O-CG 3.25Å; L572-L576 PolarHBondContact O-N 3.43Å |
| 573 | V | 59.9 | Low | 53 | Low | 73 Ų | 73 | 117.8 Ų | 117.8 | 44% | 0.442 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.4 | -39.6 | 176 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | S569 E570 L576 Q577 | S569-V573 WeakPolarHBondContact O-CB 3.47Å; S569-V573 VanDerWaalsContact O-CG2 3.24Å; S569-V573 WeakPolarHBondContact O-CG2 3.07Å; S569-V573 PolarHBondContact O-N 2.94Å; E570-V573 PolarHBondContact O-N 2.94Å; V573-L576 PolarHBondContact O-N 3.2Å; V573-Q577 WeakPolarHBondContact O-CB 3.48Å; V573-Q577 WeakPolarHBondContact O-CG 3.49Å; V573-Q577 PolarHBondContact O-N 2.9Å |
| 574 | K | 53.4 | Low | 52.3 | Low | 144 Ų | 144 | 120.6 Ų | 120.6 | 63% | 0.626 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.8 | -34.9 | 173.1 | -83.3 | -177 | 173.7 | 177.7 | 0 | 113.6 | E570 Q577 | E570-K574 WeakPolarHBondContact O-CB 3.38Å; E570-K574 PolarHBondContact O-N 3.48Å; K574-Q577 PolarHBondContact O-N 3.31Å |
| 575 | K | 55.2 | Low | 51.1 | Low | 182 Ų | 182 | 127.5 Ų | 127.5 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69.5 | -34 | 173.8 | -92.2 | -177.8 | 174.3 | 178.6 | 0 | 113.1 | M571 L572 | M571-K575 PolarHBondContact O-N 3.14Å; L572-K575 PolarHBondContact O-N 3.47Å |
| 576 | L | 50.5 | Low | 50.1 | Low | 144 Ų | 144 | 130.6 Ų | 130.6 | 75% | 0.754 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -77.7 | -22.4 | 176.2 | -69.9 | 168.1 | 0 | 0 | 0 | 112.8 | L572 V573 | L572-L576 HydrophobicContact CG-CD1 4.43Å; L572-L576 WeakPolarHBondContact O-CG 3.25Å; L572-L576 PolarHBondContact O-N 3.43Å; V573-L576 PolarHBondContact O-N 3.2Å |
| 577 | Q | 50.7 | Low | 49.2 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 67% | 0.668 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 4.5 | 177.2 | -74.1 | 179.2 | -6.6 | 0 | 0 | 114.7 | V573 K574 N579 | V573-Q577 WeakPolarHBondContact O-CB 3.48Å; V573-Q577 WeakPolarHBondContact O-CG 3.49Å; V573-Q577 PolarHBondContact O-N 2.9Å; K574-Q577 PolarHBondContact O-N 3.31Å; Q577-N579 VanDerWaalsContact C-N 3.27Å; Q577-N579 PolarHBondContact O-N 3.36Å; Q577-N579 VanDerWaalsContact O-N 3.15Å |
| 578 | G | 47.9 | Very low | 48.1 | Very low | 65 Ų | 65 | 129.4 Ų | 129.4 | 67% | 0.67 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.9 | 13.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 579 | N | 52.3 | Low | 47.1 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | trans | -117.8 | 94.5 | 176.9 | -89.4 | -13 | 0 | 0 | 0 | 111 | Q577 | Q577-N579 VanDerWaalsContact C-N 3.27Å; Q577-N579 PolarHBondContact O-N 3.36Å; Q577-N579 VanDerWaalsContact O-N 3.15Å | ||
| 580 | G | 46 | Very low | 46.4 | Very low | 66 Ų | 66 | 143 Ų | 143 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | trans | -148.4 | 141.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 581 | P | 45.2 | Very low | 45.1 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 158.4 | -175.5 | 29.6 | -33.5 | 0 | 0 | 0 | 112.2 | E583 | P581-E583 PolarHBondContact O-N 3.38Š|
| 582 | P | 42 | Very low | 44 | Very low | 135 Ų | 135 | 146.8 Ų | 146.8 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 124.1 | -172.6 | 30.9 | -31.8 | 0 | 0 | 0 | 111.3 | ||
| 583 | E | 38.9 | Very low | 43 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 155.3 | 168.6 | -100.3 | -172.2 | 169.2 | 0 | 0 | 111.9 | P581 | P581-E583 PolarHBondContact O-N 3.38Š|
| 584 | P | 37.9 | Very low | 41.7 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 148.5 | -155 | 30.9 | -34.4 | 0 | 0 | 0 | 113.8 | N586 | P584-N586 PolarHBondContact O-N 3.25Š|
| 585 | R | 35.8 | Very low | 40.7 | Very low | 241 Ų | 241 | 147.3 Ų | 147.3 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -63 | 114.7 | 176.9 | -76.9 | 175.9 | 168.9 | 174.1 | -3 | 111.3 | T587 | R585-T587 PolarHBondContact O-N 3.42Š| ||
| 586 | N | 33.2 | Very low | 39.7 | Very low | 171 Ų | 171 | 145 Ų | 145 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | trans | -78.9 | 110 | 158.2 | -98.7 | -22.5 | 0 | 0 | 0 | 109.7 | P584 N588 | P584-N586 PolarHBondContact O-N 3.25Å; N586-N588 PolarHBondContact O-N 3.27Å | ||
| 587 | T | 45.4 | Very low | 38.6 | Very low | 120 Ų | 120 | 149 Ų | 149 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -76.2 | 94.8 | 169.6 | 49.5 | 0 | 0 | 0 | 0 | 108.9 | R585 | R585-T587 PolarHBondContact O-N 3.42Š| ||
| 588 | N | 38.1 | Very low | 37.6 | Very low | 157 Ų | 157 | 149.7 Ų | 149.7 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | trans | 173.9 | 81.4 | 149.5 | -88.6 | -19.5 | 0 | 0 | 0 | 109.7 | N586 | N586-N588 PolarHBondContact O-N 3.27Š| ||
| 589 | M | 35.7 | Very low | 36.6 | Very low | 193 Ų | 193 | 154.5 Ų | 154.5 | 95% | 0.951 | 83% | 0.829 | S | S | * | * | trans | -167.3 | 110.7 | 149.2 | -102 | 174.7 | 94.1 | 0 | 0 | 107.1 | R591 | M589-R591 PolarHBondContact O-N 3.49Š| ||
| 590 | K | 39.7 | Very low | 35.5 | Very low | 220 Ų | 220 | 159.1 Ų | 159.1 | 96% | 0.957 | 84% | 0.835 | S | S | * | * | trans | -67.2 | 125.2 | 178.5 | -71.9 | -179.9 | 178.4 | 177.9 | 0 | 109 | ||||
| 591 | R | 32.1 | Very low | 34.6 | Very low | 233 Ų | 233 | 161.9 Ų | 161.9 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | trans | -74.2 | 122.3 | 175.1 | -167.7 | -172.8 | -80.4 | 178 | -8.6 | 108.6 | M589 | M589-R591 PolarHBondContact O-N 3.49Š| ||
| 592 | A | 30.9 | Very low | 33.8 | Very low | 102 Ų | 102 | 161.4 Ų | 161.4 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | trans | -93.1 | 105.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 593 | A | 31.8 | Very low | 33.1 | Very low | 73 Ų | 73 | 162.6 Ų | 162.6 | 60% | 0.603 | 84% | 0.837 | S | S | * | * | trans | -86.4 | 123.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 594 | S | 32.1 | Very low | 32.5 | Very low | 126 Ų | 126 | 160.9 Ų | 160.9 | 88% | 0.881 | 83% | 0.834 | S | S | * | * | trans | -144.4 | 104.9 | 154.1 | -64.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 595 | L | 32.4 | Very low | 32 | Very low | 142 Ų | 142 | 159 Ų | 159 | 74% | 0.743 | 82% | 0.824 | S | S | * | * | trans | -76.5 | 149.1 | -175.9 | -95.1 | 149.5 | 0 | 0 | 0 | 110.9 | ||||
| 596 | N | 34.3 | Very low | 31.6 | Very low | 133 Ų | 133 | 155.8 Ų | 155.8 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | 45.1 | 101.8 | 137.7 | -65.8 | -7.5 | 0 | 0 | 0 | 117.5 | ||||
| 597 | Y | 28.6 | Very low | 31.4 | Very low | 228 Ų | 228 | 155.4 Ų | 155.4 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | trans | -152.4 | 143.1 | 135.1 | -113.8 | -86.7 | 0 | 0 | 0 | 108.9 | ||||
| 598 | L | 28.4 | Very low | 30.5 | Very low | 158 Ų | 158 | 155 Ų | 155 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | 85.2 | 74.5 | 172.3 | -55.9 | 164.4 | 0 | 0 | 0 | 117.6 | ||||
| 599 | N | 28.4 | Very low | 30.1 | Very low | 167 Ų | 167 | 159.1 Ų | 159.1 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | -147.9 | 93.5 | 122.5 | -124.1 | -9.7 | 0 | 0 | 0 | 109.5 | |||||
| 600 | R | 28.2 | Very low | 29.7 | Very low | 243 Ų | 243 | 153.9 Ų | 153.9 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -126 | 104.2 | 172.7 | -122.7 | -164.8 | -179.2 | -164.6 | -0.5 | 107 | ||||
| 601 | T | 27.5 | Very low | 29.1 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | trans | -159.9 | 126 | 155.8 | 51.1 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 602 | S | 27.7 | Very low | 29 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | cis | -177.3 | 123.5 | -2.6 | 20.2 | 0 | 0 | 0 | 0 | 102.3 | ||||
| 603 | D | 28.1 | Very low | 28.9 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -65.1 | 140.6 | 167.9 | -80.9 | -43.3 | 0 | 0 | 0 | 109.2 | ||||
| 604 | D | 26.9 | Very low | 28.8 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | -167.8 | 124.6 | 103.3 | -121.5 | -21.5 | 0 | 0 | 0 | 115.1 | |||||
| 605 | S | 27.6 | Very low | 28.7 | Very low | 85 Ų | 85 | 150.9 Ų | 150.9 | 59% | 0.594 | 80% | 0.8 | S | S | * | * | trans | 83 | 140.7 | 132 | 75.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 606 | F | 26.1 | Very low | 28.7 | Very low | 173 Ų | 173 | 151.9 Ų | 151.9 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | 90.6 | 90.4 | 168.9 | -68.1 | -83.8 | 0 | 0 | 0 | 117.7 | ||||
| 607 | Q | 29.3 | Very low | 28.5 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | 61 | 129 | 87.9 | -75.2 | -173 | -2.4 | 0 | 0 | 113.1 | |||||
| 608 | T | 27.5 | Very low | 28.6 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 69% | 0.687 | 80% | 0.804 | S | S | * | * | cis | -173.8 | 150.5 | 5.5 | 4.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 609 | R | 28.6 | Very low | 28.6 | Very low | 242 Ų | 242 | 147.3 Ų | 147.3 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | trans | 55 | 120.5 | 147.3 | -73.1 | 177.9 | 166.1 | -171.4 | -4.3 | 119.6 | ||||
| 610 | G | 27.5 | Very low | 28.8 | Very low | 83 Ų | 83 | 147.4 Ų | 147.4 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | 93.4 | 117.1 | 76.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 611 | G | 28 | Very low | 28.8 | Very low | 86 Ų | 86 | 141.4 Ų | 141.4 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | cis | 119.5 | 121.3 | 49.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 612 | G | 29 | Very low | 29.2 | Very low | 78 Ų | 78 | 141 Ų | 141 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 124.1 | 102.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 613 | N | 29.6 | Very low | 29.3 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | 31.5 | 147.3 | 138.1 | -72.4 | -9.8 | 0 | 0 | 0 | 125.3 | ||||
| 614 | F | 28.8 | Very low | 29.8 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 77% | 0.768 | 79% | 0.791 | S | S | * | * | trans | 112.2 | 112.9 | 141.4 | -84.3 | -73.3 | 0 | 0 | 0 | 120.2 | ||||
| 615 | R | 30.3 | Very low | 30.2 | Very low | 203 Ų | 203 | 137.5 Ų | 137.5 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | 28.3 | 137 | 136.5 | -78 | -175.5 | 165 | -179.3 | -7.3 | 122.4 | ||||
| 616 | E | 31.5 | Very low | 30.5 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 41.4 | 117.5 | 138.8 | -68.1 | 176.5 | 142 | 0 | 0 | 118.6 | ||||
| 617 | S | 30.3 | Very low | 31 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | 166.7 | 140.1 | 97.1 | 43.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 618 | R | 31 | Very low | 31.3 | Very low | 247 Ų | 247 | 139.9 Ų | 139.9 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | 53.8 | 114.7 | 143 | -67.1 | 177.2 | 172.3 | 174.2 | -2.2 | 120.7 | ||||
| 619 | G | 28.4 | Very low | 31.8 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | 103.9 | 147.4 | 102.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 620 | L | 33.3 | Very low | 32.3 | Very low | 169 Ų | 169 | 132.2 Ų | 132.2 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | 91 | 93 | 172.5 | -49.4 | 175.6 | 0 | 0 | 0 | 113.7 | ||||
| 621 | S | 28.7 | Very low | 33 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | 71.5 | 102.3 | 81.4 | -69.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 622 | S | 34.3 | Very low | 33.3 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | -169.1 | 120.6 | 118.3 | -172 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 623 | S | 30.7 | Very low | 33.5 | Very low | 101 Ų | 101 | 148.3 Ų | 148.3 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -85.2 | 138.8 | 173.9 | 48.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 624 | T | 38.1 | Very low | 33.7 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | trans | -170.9 | 97.9 | 146.1 | 4.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 625 | V | 36.6 | Very low | 34 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | 78.1 | 112.4 | 80.6 | 173.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 626 | D | 33.9 | Very low | 34.2 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 68% | 0.684 | 80% | 0.803 | S | S | * | * | trans | 68.4 | 114.7 | 144.2 | -63.6 | -12.9 | 0 | 0 | 0 | 120.5 | ||||
| 627 | L | 36.6 | Very low | 34.4 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | 60.6 | 107.9 | 87.7 | -74.7 | 167 | 0 | 0 | 0 | 112.4 | |||||
| 628 | Y | 34.6 | Very low | 34.7 | Very low | 201 Ų | 201 | 144.2 Ų | 144.2 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | 169.6 | 136.6 | 115.7 | -113.6 | -105.4 | 0 | 0 | 0 | 112.4 | |||||
| 629 | T | 38 | Very low | 35 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | 59.1 | 124 | 144.9 | 47.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 630 | G | 39.4 | Very low | 35.6 | Very low | 72 Ų | 72 | 141.9 Ų | 141.9 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | 99.9 | 92.2 | 106.6 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 631 | K | 42.4 | Very low | 35.8 | Very low | 287 Ų | 287 | 139.5 Ų | 139.5 | 100% | 1.248 | 80% | 0.8 | S | S | * | * | -172.4 | 0 | 114.5 | -102.1 | 177.7 | -177.8 | 179.5 | 0 | 110.5 |
Retrieved 631 of 631 residues in 143.3 ms
(Link to these results)