| 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 | 34.1 | Very low | 39.2 | Very low | 229 Ų | 229 | 164.5 Ų | 164.5 | 100% | 1.128 | 82% | 0.824 | S | S | * | * | 0 | 86.8 | 0 | -79.1 | 177 | 174.7 | 0 | 0 | 108.5 | F3 | M1-F3 PolarHBondContact O-N 3.48Š| |||
| 2 | T | 33.2 | Very low | 42.5 | Very low | 143 Ų | 143 | 161 Ų | 161 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -90.5 | 105 | 177.6 | -24.7 | 0 | 0 | 0 | 0 | 106.6 | R4 | T2-R4 PolarHBondContact O-N 2.97Š| ||
| 3 | F | 31.7 | Very low | 46.2 | Very low | 192 Ų | 192 | 151.8 Ų | 151.8 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | trans | -59.8 | 99.1 | 172.7 | -82.5 | -94.8 | 0 | 0 | 0 | 108.5 | M1 K5 | M1-F3 PolarHBondContact O-N 3.48Å; F3-K5 VanDerWaalsContact C-N 3.35Å; F3-K5 PolarHBondContact O-N 2.9Å | ||
| 4 | R | 35.5 | Very low | 49.6 | Very low | 236 Ų | 236 | 143.8 Ų | 143.8 | 89% | 0.891 | 71% | 0.712 | S | S | * | * | trans | -59.1 | 105.7 | 157.9 | -90.4 | -175.6 | 173.1 | 178.3 | -2.5 | 105.4 | T2 I6 | T2-R4 PolarHBondContact O-N 2.97Å; R4-I6 PolarHBondContact O-N 2.88Å | ||
| 5 | K | 36.9 | Very low | 52.5 | Low | 192 Ų | 192 | 144.5 Ų | 144.5 | 84% | 0.835 | 71% | 0.712 | S | S | * | * | trans | -51.8 | 109.8 | 169.2 | -85.5 | -178.6 | 174 | 177.8 | 0 | 107 | F3 V7 | F3-K5 VanDerWaalsContact C-N 3.35Å; F3-K5 PolarHBondContact O-N 2.9Å; K5-V7 PolarHBondContact O-N 2.93Å | ||
| 6 | I | 32.7 | Very low | 55.1 | Low | 162 Ų | 162 | 140.7 Ų | 140.7 | 83% | 0.831 | 70% | 0.696 | S | S | * | * | trans | -66.8 | 91.3 | 165.5 | -60.7 | 172.7 | 0 | 0 | 0 | 104.7 | R4 | R4-I6 PolarHBondContact O-N 2.88Š| ||
| 7 | V | 38.2 | Very low | 57.4 | Low | 103 Ų | 103 | 132.4 Ų | 132.4 | 62% | 0.624 | 66% | 0.655 | S | S | * | * | trans | -61 | 133.1 | 163.5 | -178.2 | 0 | 0 | 0 | 0 | 105.4 | K5 C9 | K5-V7 PolarHBondContact O-N 2.93Å; V7-C9 PolarHBondContact O-N 2.89Å | ||
| 8 | P | 37.6 | Very low | 59.4 | Low | 104 Ų | 104 | 127.2 Ų | 127.2 | 68% | 0.675 | 63% | 0.629 | S | S | * | * | trans | -56.7 | 112.8 | 177.3 | -7.3 | 14.9 | 0 | 0 | 0 | 107.7 | F10 | P8-F10 PolarHBondContact O-N 3.07Š| ||
| 9 | C | 44.3 | Very low | 61 | Low | 113 Ų | 113 | 126.5 Ų | 126.5 | 76% | 0.764 | 62% | 0.624 | S | S | * | * | trans | -71.9 | 81.1 | 172.8 | -165.9 | 0 | 0 | 0 | 0 | 106.3 | V7 I11 | V7-C9 PolarHBondContact O-N 2.89Å; C9-I11 PolarHBondContact O-N 2.83Å; C9-I11 VanDerWaalsContact O-N 3.07Å | ||
| 10 | F | 50.6 | Low | 62.6 | Low | 175 Ų | 175 | 122.3 Ų | 122.3 | 77% | 0.768 | 60% | 0.603 | S | S | * | * | trans | -51.5 | 116.1 | 146.9 | -96.5 | -90.2 | 0 | 0 | 0 | 104.5 | P8 R12 | P8-F10 PolarHBondContact O-N 3.07Å; F10-R12 VanDerWaalsContact O-CG 3.3Å; F10-R12 WeakPolarHBondContact O-CG 3.3Å; F10-R12 PolarHBondContact O-N 2.72Å | ||
| 11 | I | 56.6 | Low | 64.1 | Low | 161 Ų | 161 | 116.5 Ų | 116.5 | 83% | 0.826 | 57% | 0.574 | S | S | * | * | trans | -58.5 | 95 | 174.8 | -62.4 | 171.7 | 0 | 0 | 0 | 105.2 | C9 S13 | C9-I11 PolarHBondContact O-N 2.83Å; C9-I11 VanDerWaalsContact O-N 3.07Å; I11-S13 PolarHBondContact O-N 3.11Å | ||
| 12 | R | 78.6 | Confident | 66.7 | Low | 122 Ų | 122 | 108.8 Ų | 108.8 | 46% | 0.46 | 54% | 0.538 | S | S | . | . | trans | -73.2 | 121.5 | -174.6 | -65.1 | -171.3 | 177.8 | 175.3 | 1.5 | 106.9 | F10 W125 | F10-R12 VanDerWaalsContact O-CG 3.3Å; F10-R12 WeakPolarHBondContact O-CG 3.3Å; F10-R12 PolarHBondContact O-N 2.72Å; R12-W125 HydrophobicContact CB-CD2 3.82Å; R12-W125 HydrophobicContact CB-CG 3.99Å; R12-W125 HydrophobicContact CB-CZ2 3.7Å; R12-W125 VanDerWaalsContact CD-CE3 3.43Å; R12-W125 HydrophobicContact CG-CD2 4.26Å; R12-W125 HydrophobicContact CG-CZ2 4.3Å; R12-W125 PolarHBondContact O-NE1 3.49Å | ||
| 13 | S | 90.9 | Very high | 69.3 | Low | 42 Ų | 42 | 106.6 Ų | 106.6 | 29% | 0.294 | 52% | 0.516 | S | S | . | . | trans | -71.8 | 164.5 | -170.3 | 73.5 | 0 | 0 | 0 | 0 | 111.9 | I11 Q15 D16 A17 W125 | I11-S13 PolarHBondContact O-N 3.11Å; S13-Q15 VanDerWaalsContact C-N 3.28Å; S13-Q15 PolarHBondContact O-N 3.33Å; S13-Q15 PolarHBondContact OG-N 3.4Å; S13-D16 WeakPolarHBondContact CB-OD2 2.87Å; S13-D16 PolarHBondContact N-OD2 3.41Å; S13-D16 PolarHBondContact O-N 3.02Å; S13-D16 PolarHBondContact OG-N 3.01Å; S13-D16 VanDerWaalsContact OG-N 3.07Å; S13-D16 PolarHBondContact OG-OD2 3.36Å; S13-A17 PolarHBondContact O-N 3.34Å; S13-W125 PolarHBondContact O-NE1 3.25Å | ||
| 14 | Y | 94 | Very high | 71.9 | Confident | 39 Ų | 39 | 98.1 Ų | 98.1 | 15% | 0.153 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -58.9 | -40 | 168.3 | 170 | -96.9 | 0 | 0 | 0 | 111.7 | D16 A17 I18 E105 R117 F120 | Y14-D16 VanDerWaalsContact C-N 3.33Å; Y14-D16 PolarHBondContact O-N 2.69Å; Y14-A17 WeakPolarHBondContact O-CB 3.41Å; Y14-A17 PolarHBondContact O-N 2.96Å; Y14-A17 VanDerWaalsContact O-N 3.1Å; Y14-I18 HydrophobicContact CD1-CG1 4.17Å; Y14-I18 HydrophobicContact CD2-CD1 4.47Å; Y14-I18 HydrophobicContact CD2-CG1 4.36Å; Y14-I18 HydrophobicContact CE1-CD1 4.33Å; Y14-I18 HydrophobicContact CE1-CG1 3.7Å; Y14-I18 HydrophobicContact CE2-CD1 3.79Å; Y14-I18 HydrophobicContact CE2-CG1 3.95Å; Y14-I18 HydrophobicContact CG-CG1 4.48Å; Y14-I18 WeakPolarHBondContact O-CG1 3.26Å; Y14-I18 PolarHBondContact O-N 3.25Å; Y14-E105 PolarHBondContact OH-OE2 3.25Å; Y14-R117 HydrophobicContact CD1-CB 4.29Å; Y14-R117 HydrophobicContact CD1-CG 4.25Å; Y14-R117 HydrophobicContact CD2-CB 3.59Å; Y14-R117 HydrophobicContact CD2-CG 3.96Å; Y14-R117 VanDerWaalsContact CD2-O 3.28Å; Y14-R117 WeakPolarHBondContact CD2-O 3.16Å; Y14-R117 HydrophobicContact CE1-CG 4.06Å; Y14-R117 HydrophobicContact CE2-CB 3.86Å; Y14-R117 HydrophobicContact CE2-CG 3.71Å; Y14-R117 HydrophobicContact CG-CB 3.8Å; Y14-R117 HydrophobicContact CG-CG 4.2Å; Y14-F120 HydrophobicContact CD2-CD1 4.25Å; Y14-F120 HydrophobicContact CE2-CB 4.43Å; Y14-F120 HydrophobicContact CE2-CD1 4.01Å; Y14-F120 HydrophobicContact CE2-CG 4.38Å |
| 15 | Q | 92.9 | Very high | 74 | Confident | 154 Ų | 154 | 88.8 Ų | 88.8 | 72% | 0.72 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 179 | -68.7 | 176.7 | -8.7 | 0 | 0 | 111.6 | S13 A17 I18 H19 | S13-Q15 VanDerWaalsContact C-N 3.28Å; S13-Q15 PolarHBondContact O-N 3.33Å; S13-Q15 PolarHBondContact OG-N 3.4Å; Q15-A17 VanDerWaalsContact C-N 3.31Å; Q15-A17 PolarHBondContact O-N 3.5Å; Q15-I18 PolarHBondContact O-N 3.49Å; Q15-H19 WeakPolarHBondContact O-CB 3.48Å; Q15-H19 PolarHBondContact O-N 3.35Å |
| 16 | D | 93.4 | Very high | 75.3 | Confident | 84 Ų | 84 | 84.4 Ų | 84.4 | 45% | 0.449 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 174.5 | -61.4 | -45 | 0 | 0 | 0 | 111.4 | S13 Y14 H19 E20 W125 | S13-D16 WeakPolarHBondContact CB-OD2 2.87Å; S13-D16 PolarHBondContact N-OD2 3.41Å; S13-D16 PolarHBondContact O-N 3.02Å; S13-D16 PolarHBondContact OG-N 3.01Å; S13-D16 VanDerWaalsContact OG-N 3.07Å; S13-D16 PolarHBondContact OG-OD2 3.36Å; Y14-D16 VanDerWaalsContact C-N 3.33Å; Y14-D16 PolarHBondContact O-N 2.69Å; D16-H19 PolarHBondContact O-N 3.38Å; D16-E20 VanDerWaalsContact O-CB 3.24Å; D16-E20 WeakPolarHBondContact O-CB 3.45Å; D16-E20 PolarHBondContact O-N 3.23Å; D16-W125 HydrophobicContact CB-CH2 4.33Å; D16-W125 HydrophobicContact CB-CZ2 3.66Å |
| 17 | A | 94.8 | Very high | 76.5 | Confident | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S13 Y14 Q15 E20 L21 A121 F124 W125 | S13-A17 PolarHBondContact O-N 3.34Å; Y14-A17 WeakPolarHBondContact O-CB 3.41Å; Y14-A17 PolarHBondContact O-N 2.96Å; Y14-A17 VanDerWaalsContact O-N 3.1Å; Q15-A17 VanDerWaalsContact C-N 3.31Å; Q15-A17 PolarHBondContact O-N 3.5Å; A17-E20 PolarHBondContact O-N 3.19Å; A17-L21 WeakPolarHBondContact O-CB 3.1Å; A17-L21 PolarHBondContact O-N 3.18Å; A17-A121 HydrophobicContact CB-CB 4.28Å; A17-F124 HydrophobicContact CB-CB 4.33Å; A17-F124 HydrophobicContact CB-CD1 3.53Å; A17-F124 HydrophobicContact CB-CE1 4.17Å; A17-F124 HydrophobicContact CB-CG 4.16Å; A17-F124 WeakPolarHBondContact O-CE1 3.43Å; A17-W125 HydrophobicContact CB-CZ2 4.13Å |
| 18 | I | 93.1 | Very high | 77.5 | Confident | 38 Ų | 38 | 79.1 Ų | 79.1 | 20% | 0.195 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.3 | -47.1 | 176.8 | -61.6 | -53 | 0 | 0 | 0 | 111.4 | Y14 Q15 E20 L21 N22 V104 F120 | Y14-I18 HydrophobicContact CD1-CG1 4.17Å; Y14-I18 HydrophobicContact CD2-CD1 4.47Å; Y14-I18 HydrophobicContact CD2-CG1 4.36Å; Y14-I18 HydrophobicContact CE1-CD1 4.33Å; Y14-I18 HydrophobicContact CE1-CG1 3.7Å; Y14-I18 HydrophobicContact CE2-CD1 3.79Å; Y14-I18 HydrophobicContact CE2-CG1 3.95Å; Y14-I18 HydrophobicContact CG-CG1 4.48Å; Y14-I18 WeakPolarHBondContact O-CG1 3.26Å; Y14-I18 PolarHBondContact O-N 3.25Å; Q15-I18 PolarHBondContact O-N 3.49Å; I18-E20 VanDerWaalsContact C-N 3.32Å; I18-E20 PolarHBondContact O-N 2.9Å; I18-L21 PolarHBondContact O-N 2.91Å; I18-N22 WeakPolarHBondContact O-CB 3.35Å; I18-N22 PolarHBondContact O-N 2.96Å; I18-N22 PolarHBondContact O-ND2 3.46Å; I18-V104 HydrophobicContact CD1-CB 4.44Å; I18-V104 HydrophobicContact CD1-CG1 3.24Å; I18-F120 HydrophobicContact CD1-CD1 4.35Å; I18-F120 HydrophobicContact CD1-CE1 3.85Å |
| 19 | H | 90.8 | Very high | 78.1 | Confident | 115 Ų | 115 | 77.7 Ų | 77.7 | 53% | 0.532 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 178.9 | 177.9 | 79.8 | 0 | 0 | 0 | 111.2 | Q15 D16 N22 K23 | Q15-H19 WeakPolarHBondContact O-CB 3.48Å; Q15-H19 PolarHBondContact O-N 3.35Å; D16-H19 PolarHBondContact O-N 3.38Å; H19-N22 PolarHBondContact O-N 3.1Å; H19-K23 VanDerWaalsContact CD2-CE 3.47Å; H19-K23 WeakPolarHBondContact CD2-CE 3.37Å; H19-K23 WeakPolarHBondContact NE2-CE 3.33Å; H19-K23 PolarHBondContact O-N 2.78Å |
| 20 | E | 92.4 | Very high | 78.1 | Confident | 41 Ų | 41 | 81.8 Ų | 81.8 | 19% | 0.192 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69.1 | -41.5 | -179.2 | -171.4 | 61.3 | -160.1 | 0 | 0 | 112.3 | D16 A17 I18 N22 K23 F124 W125 R128 | D16-E20 VanDerWaalsContact O-CB 3.24Å; D16-E20 WeakPolarHBondContact O-CB 3.45Å; D16-E20 PolarHBondContact O-N 3.23Å; A17-E20 PolarHBondContact O-N 3.19Å; I18-E20 VanDerWaalsContact C-N 3.32Å; I18-E20 PolarHBondContact O-N 2.9Å; E20-N22 VanDerWaalsContact C-N 3.3Å; E20-N22 PolarHBondContact O-N 3.42Å; E20-K23 WeakPolarHBondContact O-CB 3.33Å; E20-K23 PolarHBondContact O-N 3.49Å; E20-K23 WeakPolarHBondContact OE2-CD 3.46Å; E20-K23 WeakPolarHBondContact OE2-CE 3.29Å; E20-K23 IonicContact OE2-NZ 3.93Å; E20-K23 PolarHBondContact OE2-NZ 2.99Å; E20-F124 HydrophobicContact CB-CE1 3.89Å; E20-F124 HydrophobicContact CB-CZ 3.96Å; E20-F124 HydrophobicContact CG-CE1 4.05Å; E20-F124 HydrophobicContact CG-CZ 3.94Å; E20-W125 HydrophobicContact CB-CH2 3.99Å; E20-W125 HydrophobicContact CB-CZ3 4.47Å; E20-W125 HydrophobicContact CG-CH2 4.2Å; E20-W125 HydrophobicContact CG-CZ3 4.23Å; E20-R128 IonicContact OE1-CZ 3.81Å; E20-R128 IonicContact OE1-NE 2.69Å; E20-R128 PolarHBondContact OE1-NE 3.05Å; E20-R128 VanDerWaalsContact OE1-NE 3.15Å; E20-R128 IonicContact OE1-NH2 3.56Å; E20-R128 PolarHBondContact OE1-NH2 3.01Å |
| 21 | L | 93.6 | Very high | 78 | Confident | 1 Ų | 1 | 77.6 Ų | 77.6 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 174 | 177.8 | 60.4 | 0 | 0 | 0 | 111.1 | A17 I18 K23 S24 V104 F120 F124 F146 Y149 I150 | A17-L21 WeakPolarHBondContact O-CB 3.1Å; A17-L21 PolarHBondContact O-N 3.18Å; I18-L21 PolarHBondContact O-N 2.91Å; L21-K23 VanDerWaalsContact C-N 3.25Å; L21-K23 PolarHBondContact O-N 3.37Å; L21-S24 WeakPolarHBondContact O-CB 3.34Å; L21-S24 PolarHBondContact O-N 2.76Å; L21-S24 VanDerWaalsContact O-N 3.07Å; L21-S24 PolarHBondContact O-OG 2.88Å; L21-V104 HydrophobicContact CD2-CG2 4.36Å; L21-F120 HydrophobicContact CD2-CE1 4.15Å; L21-F120 HydrophobicContact CD2-CZ 3.74Å; L21-F124 HydrophobicContact CB-CD2 4.24Å; L21-F124 HydrophobicContact CB-CE2 3.65Å; L21-F124 HydrophobicContact CB-CZ 3.89Å; L21-F124 HydrophobicContact CD1-CD2 4.27Å; L21-F124 HydrophobicContact CD1-CE2 3.8Å; L21-F124 HydrophobicContact CG-CE2 4.24Å; L21-F146 HydrophobicContact CD1-CD2 3.86Å; L21-F146 HydrophobicContact CD1-CE2 4.27Å; L21-F146 HydrophobicContact CD2-CD2 4.1Å; L21-F146 HydrophobicContact CD2-CE2 3.65Å; L21-F146 HydrophobicContact CD2-CZ 4.44Å; L21-F146 HydrophobicContact CG-CD2 3.66Å; L21-F146 HydrophobicContact CG-CE2 3.7Å; L21-Y149 HydrophobicContact CD1-CD2 3.92Å; L21-Y149 HydrophobicContact CD1-CG 3.97Å; L21-I150 HydrophobicContact CD2-CD1 4.07Å |
| 22 | N | 89.6 | Confident | 77.8 | Confident | 68 Ų | 68 | 75.7 Ų | 75.7 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66 | -23.6 | -180 | -74.9 | -20.5 | 0 | 0 | 0 | 113.5 | I18 H19 E20 S24 I25 | I18-N22 WeakPolarHBondContact O-CB 3.35Å; I18-N22 PolarHBondContact O-N 2.96Å; I18-N22 PolarHBondContact O-ND2 3.46Å; H19-N22 PolarHBondContact O-N 3.1Å; E20-N22 VanDerWaalsContact C-N 3.3Å; E20-N22 PolarHBondContact O-N 3.42Å; N22-S24 PolarHBondContact O-N 3.36Å; N22-I25 WeakPolarHBondContact O-CB 3.4Å; N22-I25 PolarHBondContact O-N 2.92Å |
| 23 | K | 88 | Confident | 76.6 | Confident | 96 Ų | 96 | 72 Ų | 72 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60 | -31.5 | 172 | -65.9 | 177.3 | -173.1 | 165.7 | 0 | 112 | H19 E20 L21 I25 K26 L27 | H19-K23 VanDerWaalsContact CD2-CE 3.47Å; H19-K23 WeakPolarHBondContact CD2-CE 3.37Å; H19-K23 WeakPolarHBondContact NE2-CE 3.33Å; H19-K23 PolarHBondContact O-N 2.78Å; E20-K23 WeakPolarHBondContact O-CB 3.33Å; E20-K23 PolarHBondContact O-N 3.49Å; E20-K23 WeakPolarHBondContact OE2-CD 3.46Å; E20-K23 WeakPolarHBondContact OE2-CE 3.29Å; E20-K23 IonicContact OE2-NZ 3.93Å; E20-K23 PolarHBondContact OE2-NZ 2.99Å; L21-K23 VanDerWaalsContact C-N 3.25Å; L21-K23 PolarHBondContact O-N 3.37Å; K23-I25 PolarHBondContact O-N 3.37Å; K23-K26 PolarHBondContact O-N 2.91Å; K23-L27 PolarHBondContact O-N 3.02Å; K23-L27 VanDerWaalsContact O-N 3.13Å |
| 24 | S | 86.2 | Confident | 75.2 | Confident | 14 Ų | 14 | 76.7 Ų | 76.7 | 10% | 0.098 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.1 | -23.4 | 177.1 | 74.6 | 0 | 0 | 0 | 0 | 113.3 | L21 N22 S28 F146 | L21-S24 WeakPolarHBondContact O-CB 3.34Å; L21-S24 PolarHBondContact O-N 2.76Å; L21-S24 VanDerWaalsContact O-N 3.07Å; L21-S24 PolarHBondContact O-OG 2.88Å; N22-S24 PolarHBondContact O-N 3.36Å; S24-S28 PolarHBondContact O-N 3.44Å; S24-F146 WeakPolarHBondContact OG-CA 3.27Å; S24-F146 WeakPolarHBondContact OG-CB 3.4Å; S24-F146 PolarHBondContact OG-N 3.35Å |
| 25 | I | 79.8 | Confident | 74.2 | Confident | 41 Ų | 41 | 78.6 Ų | 78.6 | 21% | 0.21 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.1 | -50.4 | 172.9 | -58.6 | 174.2 | 0 | 0 | 0 | 109.3 | N22 K23 L27 S28 N29 F146 L422 | N22-I25 WeakPolarHBondContact O-CB 3.4Å; N22-I25 PolarHBondContact O-N 2.92Å; K23-I25 PolarHBondContact O-N 3.37Å; I25-L27 VanDerWaalsContact C-N 3.29Å; I25-L27 PolarHBondContact O-N 3.29Å; I25-S28 PolarHBondContact O-N 3.29Å; I25-S28 VanDerWaalsContact O-N 3.09Å; I25-S28 PolarHBondContact O-OG 3.09Å; I25-N29 PolarHBondContact O-N 3.36Å; I25-F146 HydrophobicContact CD1-CD2 3.71Å; I25-F146 HydrophobicContact CD1-CE2 4.1Å; I25-F146 HydrophobicContact CD1-CG 4.15Å; I25-F146 HydrophobicContact CG1-CB 3.71Å; I25-F146 HydrophobicContact CG1-CD2 3.68Å; I25-F146 HydrophobicContact CG1-CG 3.82Å; I25-L422 HydrophobicContact CG2-CD1 3.97Å; I25-L422 HydrophobicContact CG2-CD2 4.17Å |
| 26 | K | 62.7 | Low | 73.2 | Confident | 100 Ų | 100 | 74 Ų | 74 | 44% | 0.435 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.2 | -43.1 | -179.4 | -65.8 | -172.4 | 178.3 | -173.8 | 0 | 111.3 | K23 S28 N29 Y30 D420 | K23-K26 PolarHBondContact O-N 2.91Å; K26-S28 VanDerWaalsContact C-N 3.26Å; K26-S28 PolarHBondContact O-N 3.22Å; K26-N29 PolarHBondContact O-N 3.45Å; K26-Y30 HydrophobicContact CB-CE2 4.45Å; K26-Y30 WeakPolarHBondContact O-CD2 3.36Å; K26-Y30 PolarHBondContact O-N 2.96Å; K26-D420 VanDerWaalsContact CE-OD2 3.28Å; K26-D420 WeakPolarHBondContact CE-OD2 3.31Å; K26-D420 IonicContact NZ-OD2 2.74Å; K26-D420 PolarHBondContact NZ-OD2 2.73Å |
| 27 | L | 58.9 | Low | 72.2 | Confident | 109 Ų | 109 | 74.4 Ų | 74.4 | 57% | 0.571 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.2 | -36.5 | 178.3 | -151.4 | 82.9 | 0 | 0 | 0 | 112.7 | K23 I25 N29 | K23-L27 PolarHBondContact O-N 3.02Å; K23-L27 VanDerWaalsContact O-N 3.13Å; I25-L27 VanDerWaalsContact C-N 3.29Å; I25-L27 PolarHBondContact O-N 3.29Å; L27-N29 VanDerWaalsContact C-N 3.33Å |
| 28 | S | 58.5 | Low | 71.3 | Confident | 45 Ų | 45 | 78.4 Ų | 78.4 | 32% | 0.315 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70.3 | -27.6 | 177 | 71.4 | 0 | 0 | 0 | 0 | 113.5 | S24 I25 K26 L31 | S24-S28 PolarHBondContact O-N 3.44Å; I25-S28 PolarHBondContact O-N 3.29Å; I25-S28 VanDerWaalsContact O-N 3.09Å; I25-S28 PolarHBondContact O-OG 3.09Å; K26-S28 VanDerWaalsContact C-N 3.26Å; K26-S28 PolarHBondContact O-N 3.22Å; S28-L31 CarbonylContact O-C 3.5Å; S28-L31 PolarHBondContact O-N 3.05Å |
| 29 | N | 50.7 | Low | 70.4 | Confident | 74 Ų | 74 | 78.5 Ų | 78.5 | 40% | 0.396 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -79.3 | -31.2 | -180 | -66.7 | -23.3 | 0 | 0 | 0 | 113.1 | I25 K26 L27 L31 T32 L422 | I25-N29 PolarHBondContact O-N 3.36Å; K26-N29 PolarHBondContact O-N 3.45Å; L27-N29 VanDerWaalsContact C-N 3.33Å; N29-L31 PolarHBondContact O-N 3.49Å; N29-T32 PolarHBondContact O-N 3.47Å; N29-L422 WeakPolarHBondContact ND2-CD2 3.38Å |
| 30 | Y | 43.3 | Very low | 69.8 | Low | 198 Ų | 198 | 75.5 Ų | 75.5 | 78% | 0.776 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67.3 | -23.6 | 173.4 | -72.9 | -72.9 | 0 | 0 | 0 | 112.3 | K26 T32 | K26-Y30 HydrophobicContact CB-CE2 4.45Å; K26-Y30 WeakPolarHBondContact O-CD2 3.36Å; K26-Y30 PolarHBondContact O-N 2.96Å; Y30-T32 VanDerWaalsContact C-N 3.34Å; Y30-T32 PolarHBondContact O-N 3.37Å |
| 31 | L | 49.6 | Very low | 69.2 | Low | 88 Ų | 88 | 77.6 Ų | 77.6 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | trans | -95 | 57 | 170.6 | -61.6 | 170.2 | 0 | 0 | 0 | 108.9 | S28 N29 P33 | S28-L31 CarbonylContact O-C 3.5Å; S28-L31 PolarHBondContact O-N 3.05Å; N29-L31 PolarHBondContact O-N 3.49Å; L31-P33 WeakPolarHBondContact O-CD 3.38Å | ||
| 32 | T | 51.9 | Low | 68.6 | Low | 120 Ų | 120 | 83.9 Ų | 83.9 | 74% | 0.736 | 43% | 0.433 | S | S | * | . | trans | -66.5 | 101.1 | 164.3 | 30.1 | 0 | 0 | 0 | 0 | 107.4 | N29 Y30 | N29-T32 PolarHBondContact O-N 3.47Å; Y30-T32 VanDerWaalsContact C-N 3.34Å; Y30-T32 PolarHBondContact O-N 3.37Å | ||
| 33 | P | 54.1 | Low | 68.2 | Low | 46 Ų | 46 | 83.8 Ų | 83.8 | 30% | 0.299 | 43% | 0.427 | S | S | . | . | trans | -72 | 146.2 | -178.9 | 35.3 | -33.6 | 0 | 0 | 0 | 107.7 | L31 N35 P36 L39 | L31-P33 WeakPolarHBondContact O-CD 3.38Å; P33-N35 PolarHBondContact O-N 2.96Å; P33-N35 VanDerWaalsContact O-N 3.07Å; P33-P36 HydrophobicContact CG-CB 4.42Å; P33-P36 HydrophobicContact CG-CG 4.33Å; P33-L39 HydrophobicContact CB-CB 4.2Å; P33-L39 HydrophobicContact CB-CD2 4.34Å; P33-L39 HydrophobicContact CG-CB 3.89Å; P33-L39 HydrophobicContact CG-CD2 3.78Å; P33-L39 HydrophobicContact CG-CG 4.39Å | ||
| 34 | S | 61 | Low | 67.8 | Low | 140 Ų | 140 | 83.4 Ų | 83.4 | 98% | 0.979 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -57 | -19.4 | 166.8 | 35 | 0 | 0 | 0 | 0 | 112.2 | ||
| 35 | N | 72.9 | Confident | 67.9 | Low | 79 Ų | 79 | 84.3 Ų | 84.3 | 42% | 0.422 | 44% | 0.435 | S | S | . | . | trans | -136.7 | 96.9 | 173.5 | -167.9 | -30 | 0 | 0 | 0 | 112.4 | P33 R37 L38 L39 | P33-N35 PolarHBondContact O-N 2.96Å; P33-N35 VanDerWaalsContact O-N 3.07Å; N35-R37 VanDerWaalsContact C-N 3.27Å; N35-R37 PolarHBondContact O-N 2.95Å; N35-R37 WeakPolarHBondContact OD1-CB 3.09Å; N35-R37 PolarHBondContact OD1-N 3.42Å; N35-R37 VanDerWaalsContact OD1-N 3.16Å; N35-L38 HydrophobicContact CB-CB 4.01Å; N35-L38 PolarHBondContact O-N 3.3Å; N35-L38 PolarHBondContact OD1-N 2.93Å; N35-L39 PolarHBondContact O-N 3.19Å | ||
| 36 | P | 72.5 | Confident | 68.5 | Low | 56 Ų | 56 | 83.4 Ų | 83.4 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59 | -31.2 | 178.5 | -27.1 | 35.4 | 0 | 0 | 0 | 114.9 | P33 K40 I200 | P33-P36 HydrophobicContact CG-CB 4.42Å; P33-P36 HydrophobicContact CG-CG 4.33Å; P36-K40 PolarHBondContact O-N 2.93Å; P36-I200 HydrophobicContact CB-CG1 4.46Å |
| 37 | R | 72.5 | Confident | 70 | Confident | 93 Ų | 93 | 78.6 Ų | 78.6 | 35% | 0.351 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68 | -47.7 | 178.9 | -180 | 178.9 | 172.3 | 169.4 | 0.9 | 110.9 | N35 L39 K40 E41 W210 | N35-R37 VanDerWaalsContact C-N 3.27Å; N35-R37 PolarHBondContact O-N 2.95Å; N35-R37 WeakPolarHBondContact OD1-CB 3.09Å; N35-R37 PolarHBondContact OD1-N 3.42Å; N35-R37 VanDerWaalsContact OD1-N 3.16Å; R37-L39 VanDerWaalsContact C-N 3.28Å; R37-L39 PolarHBondContact O-N 3.44Å; R37-K40 PolarHBondContact O-N 3.48Å; R37-K40 VanDerWaalsContact O-N 3.14Å; R37-E41 PolarHBondContact O-N 2.81Å; R37-W210 VanDerWaalsContact NH2-CZ3 3.27Å |
| 38 | L | 75.4 | Confident | 71.8 | Confident | 85 Ų | 85 | 75.1 Ų | 75.1 | 45% | 0.445 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.7 | -42.2 | 178 | -166.5 | 93.2 | 0 | 0 | 0 | 111.5 | N35 K40 E41 Q42 | N35-L38 HydrophobicContact CB-CB 4.01Å; N35-L38 PolarHBondContact O-N 3.3Å; N35-L38 PolarHBondContact OD1-N 2.93Å; L38-K40 VanDerWaalsContact C-N 3.31Å; L38-K40 PolarHBondContact O-N 3.3Å; L38-E41 PolarHBondContact O-N 3.45Å; L38-Q42 WeakPolarHBondContact O-CG 3.26Å; L38-Q42 PolarHBondContact O-N 3.08Å |
| 39 | L | 74.8 | Confident | 73.5 | Confident | 40 Ų | 40 | 75.4 Ų | 75.4 | 21% | 0.209 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 179.2 | -170.5 | 71.4 | 0 | 0 | 0 | 112.1 | P33 N35 R37 R43 | P33-L39 HydrophobicContact CB-CB 4.2Å; P33-L39 HydrophobicContact CB-CD2 4.34Å; P33-L39 HydrophobicContact CG-CB 3.89Å; P33-L39 HydrophobicContact CG-CD2 3.78Å; P33-L39 HydrophobicContact CG-CG 4.39Å; N35-L39 PolarHBondContact O-N 3.19Å; R37-L39 VanDerWaalsContact C-N 3.28Å; R37-L39 PolarHBondContact O-N 3.44Å; L39-R43 VanDerWaalsContact O-CB 3.32Å; L39-R43 WeakPolarHBondContact O-CB 3.37Å; L39-R43 VanDerWaalsContact O-CG 3.27Å; L39-R43 WeakPolarHBondContact O-CG 3.2Å; L39-R43 PolarHBondContact O-N 3.3Å |
| 40 | K | 78.4 | Confident | 75.7 | Confident | 51 Ų | 51 | 72 Ų | 72 | 22% | 0.222 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67 | -43.7 | 176.1 | -75.2 | -170.1 | 172.4 | -169 | 0 | 111.9 | P36 R37 L38 Q42 R43 Y44 I200 | P36-K40 PolarHBondContact O-N 2.93Å; R37-K40 PolarHBondContact O-N 3.48Å; R37-K40 VanDerWaalsContact O-N 3.14Å; L38-K40 VanDerWaalsContact C-N 3.31Å; L38-K40 PolarHBondContact O-N 3.3Å; K40-Q42 VanDerWaalsContact C-N 3.27Å; K40-Q42 PolarHBondContact O-N 3.18Å; K40-R43 PolarHBondContact O-N 3.36Å; K40-R43 VanDerWaalsContact O-N 3.08Å; K40-Y44 PolarHBondContact O-N 2.95Å; K40-I200 HydrophobicContact CD-CG2 4.09Å |
| 41 | E | 79 | Confident | 78.3 | Confident | 85 Ų | 85 | 62.6 Ų | 62.6 | 40% | 0.397 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.5 | -38.2 | 177.4 | 175.8 | 162.2 | -141.5 | 0 | 0 | 112.6 | R37 L38 R43 Y44 Y176 | R37-E41 PolarHBondContact O-N 2.81Å; L38-E41 PolarHBondContact O-N 3.45Å; E41-R43 VanDerWaalsContact C-N 3.32Å; E41-R43 PolarHBondContact O-N 2.9Å; E41-Y44 WeakPolarHBondContact O-CD1 3.01Å; E41-Y44 WeakPolarHBondContact O-CE1 3.24Å; E41-Y176 HydrophobicContact CB-CD1 3.92Å; E41-Y176 HydrophobicContact CB-CD2 4.42Å; E41-Y176 HydrophobicContact CB-CE1 3.77Å; E41-Y176 HydrophobicContact CB-CE2 4.31Å; E41-Y176 HydrophobicContact CB-CG 4.21Å; E41-Y176 VanDerWaalsContact CD-OH 3.26Å; E41-Y176 HydrophobicContact CG-CD1 4.17Å; E41-Y176 HydrophobicContact CG-CE1 3.58Å; E41-Y176 PolarHBondContact OE1-OH 2.91Å |
| 42 | Q | 80.2 | Confident | 80.6 | Confident | 133 Ų | 133 | 61.9 Ų | 61.9 | 62% | 0.621 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -73.2 | -23.2 | 176.2 | -71.1 | 174.7 | -14.1 | 0 | 0 | 113.7 | L38 K40 | L38-Q42 WeakPolarHBondContact O-CG 3.26Å; L38-Q42 PolarHBondContact O-N 3.08Å; K40-Q42 VanDerWaalsContact C-N 3.27Å; K40-Q42 PolarHBondContact O-N 3.18Å |
| 43 | R | 82.1 | Confident | 82.7 | Confident | 67 Ų | 67 | 57.3 Ų | 57.3 | 25% | 0.253 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -110.5 | -19.9 | -167.4 | -70 | -174.4 | 174.5 | -175.5 | -3.3 | 115.2 | L39 K40 E41 G45 L46 H148 | L39-R43 VanDerWaalsContact O-CB 3.32Å; L39-R43 WeakPolarHBondContact O-CB 3.37Å; L39-R43 VanDerWaalsContact O-CG 3.27Å; L39-R43 WeakPolarHBondContact O-CG 3.2Å; L39-R43 PolarHBondContact O-N 3.3Å; K40-R43 PolarHBondContact O-N 3.36Å; K40-R43 VanDerWaalsContact O-N 3.08Å; E41-R43 VanDerWaalsContact C-N 3.32Å; E41-R43 PolarHBondContact O-N 2.9Å; R43-G45 PolarHBondContact O-N 3.43Å; R43-G45 VanDerWaalsContact O-N 3.16Å; R43-L46 HydrophobicContact CB-CD1 3.99Å; R43-L46 HydrophobicContact CG-CD1 3.92Å; R43-L46 VanDerWaalsContact O-CB 3.23Å; R43-L46 WeakPolarHBondContact O-CB 3.24Å; R43-L46 WeakPolarHBondContact O-CG 3.49Å; R43-L46 PolarHBondContact O-N 3.18Å; R43-H148 PolarHBondContact O-NE2 2.75Å |
| 44 | Y | 79.7 | Confident | 84.8 | Confident | 88 Ų | 88 | 56.3 Ų | 56.3 | 35% | 0.345 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -34.3 | -172.4 | 82 | -81.7 | 0 | 0 | 0 | 113.2 | K40 E41 L46 Y176 | K40-Y44 PolarHBondContact O-N 2.95Å; E41-Y44 WeakPolarHBondContact O-CD1 3.01Å; E41-Y44 WeakPolarHBondContact O-CE1 3.24Å; Y44-L46 PolarHBondContact O-N 2.67Å; Y44-Y176 AromaticContact CD1-CD1 3.72Å; Y44-Y176 HydrophobicContact CD1-CD1 3.72Å; Y44-Y176 AromaticContact CE1-CD1 3.91Å; Y44-Y176 HydrophobicContact CE1-CD1 3.91Å; Y44-Y176 HydrophobicContact CE1-CE1 4.33Å; Y44-Y176 HydrophobicContact CG-CD1 4.33Å |
| 45 | G | 87.1 | Confident | 86.5 | Confident | 32 Ų | 32 | 52.1 Ų | 52.1 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -13.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | R43 S47 A48 | R43-G45 PolarHBondContact O-N 3.43Å; R43-G45 VanDerWaalsContact O-N 3.16Å; G45-S47 PolarHBondContact O-N 2.7Å; G45-A48 PolarHBondContact O-N 3.5Å |
| 46 | L | 93.5 | Very high | 87.7 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -28.8 | -179.5 | -66.5 | 176 | 0 | 0 | 0 | 112.3 | R43 Y44 A48 V49 Y50 I141 P142 | R43-L46 HydrophobicContact CB-CD1 3.99Å; R43-L46 HydrophobicContact CG-CD1 3.92Å; R43-L46 VanDerWaalsContact O-CB 3.23Å; R43-L46 WeakPolarHBondContact O-CB 3.24Å; R43-L46 WeakPolarHBondContact O-CG 3.49Å; R43-L46 PolarHBondContact O-N 3.18Å; Y44-L46 PolarHBondContact O-N 2.67Å; L46-A48 PolarHBondContact O-N 2.81Å; L46-V49 WeakPolarHBondContact O-CB 3.41Å; L46-V49 PolarHBondContact O-N 3.22Å; L46-V49 VanDerWaalsContact O-N 3.13Å; L46-Y50 HydrophobicContact CB-CD2 4.18Å; L46-Y50 HydrophobicContact CB-CE2 3.6Å; L46-Y50 WeakPolarHBondContact O-CD2 3.33Å; L46-Y50 VanDerWaalsContact O-CG 3.24Å; L46-Y50 PolarHBondContact O-N 3.44Å; L46-I141 HydrophobicContact CD2-CD1 4.09Å; L46-I141 HydrophobicContact CD2-CG2 4.44Å; L46-P142 HydrophobicContact CD1-CG 4Å |
| 47 | S | 94.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.3 | -39.3 | 174.1 | -75.8 | 0 | 0 | 0 | 0 | 112.4 | G45 Y50 C51 H148 H178 | G45-S47 PolarHBondContact O-N 2.7Å; S47-Y50 PolarHBondContact O-N 3.15Å; S47-C51 WeakPolarHBondContact O-CB 3.29Å; S47-C51 PolarHBondContact O-N 3.44Å; S47-C51 PolarHBondContact O-SG 2.7Å; S47-H148 PolarHBondContact OG-CD2 2.91Å; S47-H178 WeakPolarHBondContact CB-O 3.13Å; S47-H178 PolarHBondContact OG-O 3.47Å |
| 48 | A | 95.4 | Very high | 89.9 | Confident | 35 Ų | 35 | 51 Ų | 51 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | G45 L46 Y50 C51 S52 I181 | G45-A48 PolarHBondContact O-N 3.5Å; L46-A48 PolarHBondContact O-N 2.81Å; A48-Y50 VanDerWaalsContact C-N 3.31Å; A48-Y50 PolarHBondContact O-N 2.98Å; A48-C51 PolarHBondContact O-N 2.63Å; A48-S52 PolarHBondContact O-N 3.2Å; A48-S52 PolarHBondContact O-OG 2.8Å; A48-I181 HydrophobicContact CB-CB 4.13Å; A48-I181 HydrophobicContact CB-CD1 4.23Å; A48-I181 HydrophobicContact CB-CG2 4.01Å |
| 49 | V | 95.6 | Very high | 90.9 | Very high | 52 Ų | 52 | 51 Ų | 51 | 32% | 0.315 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.1 | -44 | 176 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | L46 S52 A53 F134 I141 | L46-V49 WeakPolarHBondContact O-CB 3.41Å; L46-V49 PolarHBondContact O-N 3.22Å; L46-V49 VanDerWaalsContact O-N 3.13Å; V49-S52 PolarHBondContact O-N 3.37Å; V49-A53 WeakPolarHBondContact O-CB 3.34Å; V49-A53 PolarHBondContact O-N 3.09Å; V49-F134 HydrophobicContact CG1-CE1 3.87Å; V49-F134 HydrophobicContact CG1-CZ 3.72Å; V49-I141 HydrophobicContact CG1-CD1 4.47Å |
| 50 | Y | 97.1 | Very high | 92 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 178.4 | -59.9 | -42.5 | 0 | 0 | 0 | 112.6 | L46 S47 A48 A53 V54 L131 I141 P142 P144 H148 | L46-Y50 HydrophobicContact CB-CD2 4.18Å; L46-Y50 HydrophobicContact CB-CE2 3.6Å; L46-Y50 WeakPolarHBondContact O-CD2 3.33Å; L46-Y50 VanDerWaalsContact O-CG 3.24Å; L46-Y50 PolarHBondContact O-N 3.44Å; S47-Y50 PolarHBondContact O-N 3.15Å; A48-Y50 VanDerWaalsContact C-N 3.31Å; A48-Y50 PolarHBondContact O-N 2.98Å; Y50-A53 PolarHBondContact O-N 3.23Å; Y50-V54 WeakPolarHBondContact O-CG2 3.48Å; Y50-V54 PolarHBondContact O-N 3.39Å; Y50-V54 VanDerWaalsContact O-N 3.08Å; Y50-L131 HydrophobicContact CD1-CD1 4.33Å; Y50-L131 HydrophobicContact CD1-CD2 3.9Å; Y50-L131 HydrophobicContact CG-CD1 4.33Å; Y50-L131 HydrophobicContact CG-CD2 4.38Å; Y50-I141 HydrophobicContact CE1-CG2 3.73Å; Y50-P142 PolarHBondContact OH-O 3.21Å; Y50-P144 HydrophobicContact CD1-CG 4.09Å; Y50-P144 HydrophobicContact CD2-CB 4.18Å; Y50-P144 HydrophobicContact CD2-CG 4.19Å; Y50-P144 HydrophobicContact CE1-CG 3.87Å; Y50-P144 HydrophobicContact CE2-CB 3.83Å; Y50-P144 HydrophobicContact CE2-CG 4Å; Y50-P144 HydrophobicContact CG-CG 4.24Å; Y50-H148 HydrophobicContact CD2-CB 3.96Å; Y50-H148 AromaticContact CD2-CD2 3.84Å; Y50-H148 HydrophobicContact CE2-CB 3.94Å; Y50-H148 AromaticContact CE2-CD2 3.69Å; Y50-H148 AromaticContact CE2-CG 3.82Å |
| 51 | C | 97.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.7 | -50.6 | 172.1 | -75.8 | 0 | 0 | 0 | 0 | 110.8 | S47 A48 A53 V54 G55 I56 | S47-C51 WeakPolarHBondContact O-CB 3.29Å; S47-C51 PolarHBondContact O-N 3.44Å; S47-C51 PolarHBondContact O-SG 2.7Å; A48-C51 PolarHBondContact O-N 2.63Å; C51-A53 VanDerWaalsContact C-N 3.31Å; C51-A53 PolarHBondContact O-N 3.02Å; C51-V54 WeakPolarHBondContact O-CG2 3.39Å; C51-V54 PolarHBondContact O-N 3.22Å; C51-G55 PolarHBondContact O-N 2.85Å; C51-I56 HydrophobicContact CB-CB 4.08Å; C51-I56 HydrophobicContact CB-CD1 4.48Å; C51-I56 HydrophobicContact CB-CG2 4.25Å; C51-I56 WeakPolarHBondContact O-CB 3.31Å; C51-I56 PolarHBondContact O-N 3.33Å |
| 52 | S | 96.9 | Very high | 93.6 | Very high | 73 Ų | 73 | 50.4 Ų | 50.4 | 51% | 0.51 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | A48 V49 V54 G55 | A48-S52 PolarHBondContact O-N 3.2Å; A48-S52 PolarHBondContact O-OG 2.8Å; V49-S52 PolarHBondContact O-N 3.37Å; S52-V54 VanDerWaalsContact C-N 3.28Å; S52-V54 PolarHBondContact O-N 2.72Å; S52-G55 PolarHBondContact O-N 3.49Å |
| 53 | A | 96.7 | Very high | 94.4 | Very high | 24 Ų | 24 | 48.1 Ų | 48.1 | 20% | 0.198 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.1 | -30.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V49 Y50 C51 G55 T130 L131 F134 | V49-A53 WeakPolarHBondContact O-CB 3.34Å; V49-A53 PolarHBondContact O-N 3.09Å; Y50-A53 PolarHBondContact O-N 3.23Å; C51-A53 VanDerWaalsContact C-N 3.31Å; C51-A53 PolarHBondContact O-N 3.02Å; A53-G55 VanDerWaalsContact C-N 3.27Å; A53-T130 VanDerWaalsContact O-CG2 3.26Å; A53-T130 WeakPolarHBondContact O-CG2 3.37Å; A53-L131 HydrophobicContact CB-CD2 3.65Å; A53-F134 HydrophobicContact CB-CB 4.26Å; A53-F134 HydrophobicContact CB-CD1 3.71Å; A53-F134 HydrophobicContact CB-CD2 3.73Å; A53-F134 HydrophobicContact CB-CE1 3.89Å; A53-F134 HydrophobicContact CB-CE2 3.91Å; A53-F134 HydrophobicContact CB-CG 3.62Å; A53-F134 HydrophobicContact CB-CZ 4Å |
| 54 | V | 97.5 | Very high | 95.2 | Very high | 25 Ų | 25 | 45.1 Ų | 45.1 | 15% | 0.152 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 8.8 | 173.4 | -56.6 | 0 | 0 | 0 | 0 | 113.6 | Y50 C51 S52 I56 V127 T130 L131 V152 | Y50-V54 WeakPolarHBondContact O-CG2 3.48Å; Y50-V54 PolarHBondContact O-N 3.39Å; Y50-V54 VanDerWaalsContact O-N 3.08Å; C51-V54 WeakPolarHBondContact O-CG2 3.39Å; C51-V54 PolarHBondContact O-N 3.22Å; S52-V54 VanDerWaalsContact C-N 3.28Å; S52-V54 PolarHBondContact O-N 2.72Å; V54-I56 HydrophobicContact CG2-CD1 3.77Å; V54-I56 HydrophobicContact CG2-CG1 3.98Å; V54-V127 HydrophobicContact CG1-CG1 4.23Å; V54-V127 HydrophobicContact CG1-CG2 4.49Å; V54-T130 HydrophobicContact CG1-CG2 4.18Å; V54-L131 HydrophobicContact CG1-CD1 4.34Å; V54-L131 HydrophobicContact CG1-CD2 3.89Å; V54-L131 HydrophobicContact CG1-CG 3.87Å; V54-V152 HydrophobicContact CG1-CG1 4.11Å; V54-V152 HydrophobicContact CG2-CG1 3.64Å |
| 55 | G | 97.4 | Very high | 96 | Very high | 52 Ų | 52 | 43.9 Ų | 43.9 | 54% | 0.536 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 19.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | C51 S52 A53 Q60 | C51-G55 PolarHBondContact O-N 2.85Å; S52-G55 PolarHBondContact O-N 3.49Å; A53-G55 VanDerWaalsContact C-N 3.27Å; G55-Q60 PolarHBondContact O-OE1 3.19Å |
| 56 | I | 98.1 | Very high | 96.6 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 5% | 0.046 | 24% | 0.239 | C | C | . | . | trans | -85.5 | 119.8 | 170.4 | -65.4 | 167.4 | 0 | 0 | 0 | 108.9 | C51 V54 L61 C155 K156 I159 | C51-I56 HydrophobicContact CB-CB 4.08Å; C51-I56 HydrophobicContact CB-CD1 4.48Å; C51-I56 HydrophobicContact CB-CG2 4.25Å; C51-I56 WeakPolarHBondContact O-CB 3.31Å; C51-I56 PolarHBondContact O-N 3.33Å; V54-I56 HydrophobicContact CG2-CD1 3.77Å; V54-I56 HydrophobicContact CG2-CG1 3.98Å; I56-L61 HydrophobicContact CG2-CD1 4.21Å; I56-L61 HydrophobicContact CG2-CD2 3.78Å; I56-L61 HydrophobicContact CG2-CG 3.71Å; I56-C155 HydrophobicContact CD1-CB 3.91Å; I56-K156 HydrophobicContact CD1-CB 4.09Å; I56-I159 HydrophobicContact CB-CD1 4.27Å; I56-I159 HydrophobicContact CD1-CD1 4.17Å; I56-I159 HydrophobicContact CG1-CD1 3.91Å; I56-I159 HydrophobicContact CG2-CD1 3.47Å; I56-I159 VanDerWaalsContact CG2-CD1 3.47Å | ||
| 57 | E | 96.3 | Very high | 96.8 | Very high | 130 Ų | 130 | 41.6 Ų | 41.6 | 61% | 0.607 | 23% | 0.234 | S | C | * | . | trans | -88 | 153.7 | 176.9 | -61.5 | -179 | -178.3 | 0 | 0 | 112.1 | Q59 Q60 L61 | E57-Q59 PolarHBondContact O-N 3.43Å; E57-Q60 HydrophobicContact CB-CG 4.32Å; E57-Q60 PolarHBondContact O-N 3.45Å; E57-Q60 VanDerWaalsContact O-N 3.09Å; E57-L61 PolarHBondContact O-N 3.03Å | ||
| 58 | D | 94.4 | Very high | 97 | Very high | 66 Ų | 66 | 41.6 Ų | 41.6 | 35% | 0.353 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56 | -34.7 | 176.8 | -82.1 | 1.3 | 0 | 0 | 0 | 112.7 | L61 R62 K183 | D58-L61 PolarHBondContact O-N 3.34Å; D58-R62 PolarHBondContact O-N 2.91Å; D58-R62 VanDerWaalsContact O-N 3.14Å; D58-K183 IonicContact OD2-NZ 2.87Å; D58-K183 PolarHBondContact OD2-NZ 2.89Å |
| 59 | Q | 96.3 | Very high | 97.2 | Very high | 86 Ų | 86 | 40 Ų | 40 | 40% | 0.402 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.1 | -42.2 | 178.2 | -173.4 | 59.6 | 47.2 | 0 | 0 | 111.4 | E57 L61 R62 D63 | E57-Q59 PolarHBondContact O-N 3.43Å; Q59-L61 PolarHBondContact O-N 2.84Å; Q59-R62 WeakPolarHBondContact O-CB 3.21Å; Q59-R62 PolarHBondContact O-N 2.94Å; Q59-R62 VanDerWaalsContact OE1-NE 3.1Å; Q59-D63 PolarHBondContact NE2-OD1 2.88Å; Q59-D63 PolarHBondContact O-N 3.33Å |
| 60 | Q | 97.7 | Very high | 97.3 | Very high | 65 Ų | 65 | 37.5 Ų | 37.5 | 30% | 0.304 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.8 | -33.2 | 178 | -61.6 | 175.3 | -69.9 | 0 | 0 | 111.7 | G55 E57 L64 I159 | G55-Q60 PolarHBondContact O-OE1 3.19Å; E57-Q60 HydrophobicContact CB-CG 4.32Å; E57-Q60 PolarHBondContact O-N 3.45Å; E57-Q60 VanDerWaalsContact O-N 3.09Å; Q60-L64 WeakPolarHBondContact O-CG 3.28Å; Q60-I159 HydrophobicContact CB-CD1 3.77Å; Q60-I159 HydrophobicContact CB-CG1 4.17Å; Q60-I159 HydrophobicContact CB-CG2 4.36Å |
| 61 | L | 96.9 | Very high | 97.3 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 7% | 0.068 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.7 | -35.1 | 173.3 | -67.5 | 176.1 | 0 | 0 | 0 | 112.6 | I56 E57 D58 Q59 L64 C155 I159 I181 F182 | I56-L61 HydrophobicContact CG2-CD1 4.21Å; I56-L61 HydrophobicContact CG2-CD2 3.78Å; I56-L61 HydrophobicContact CG2-CG 3.71Å; E57-L61 PolarHBondContact O-N 3.03Å; D58-L61 PolarHBondContact O-N 3.34Å; Q59-L61 PolarHBondContact O-N 2.84Å; L61-L64 HydrophobicContact CD2-CD1 4.34Å; L61-L64 WeakPolarHBondContact O-CB 3.5Å; L61-L64 PolarHBondContact O-N 3.37Å; L61-C155 HydrophobicContact CD2-CB 4.08Å; L61-I159 HydrophobicContact CD2-CD1 4.33Å; L61-I181 HydrophobicContact CD1-CD1 4.05Å; L61-F182 HydrophobicContact CD2-CE1 4.43Å |
| 62 | R | 95.3 | Very high | 97.1 | Very high | 85 Ų | 85 | 37.7 Ų | 37.7 | 32% | 0.321 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.7 | -40.1 | 174.5 | -76.5 | -169.4 | -70.2 | -87.2 | 1.9 | 112.3 | D58 Q59 L64 H65 D184 | D58-R62 PolarHBondContact O-N 2.91Å; D58-R62 VanDerWaalsContact O-N 3.14Å; Q59-R62 WeakPolarHBondContact O-CB 3.21Å; Q59-R62 PolarHBondContact O-N 2.94Å; Q59-R62 VanDerWaalsContact OE1-NE 3.1Å; R62-L64 PolarHBondContact O-N 3.05Å; R62-H65 PolarHBondContact O-N 3.14Å; R62-D184 WeakPolarHBondContact CD-OD2 3.35Å; R62-D184 VanDerWaalsContact CG-OD1 3.28Å; R62-D184 WeakPolarHBondContact CG-OD1 3.18Å |
| 63 | D | 96.6 | Very high | 96.8 | Very high | 84 Ų | 84 | 37.1 Ų | 37.1 | 45% | 0.449 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -11 | -179.2 | -61.7 | -17.2 | 0 | 0 | 0 | 112.9 | Q59 H65 | Q59-D63 PolarHBondContact NE2-OD1 2.88Å; Q59-D63 PolarHBondContact O-N 3.33Å; D63-H65 VanDerWaalsContact C-N 3.27Å; D63-H65 PolarHBondContact O-CE1 3.47Å; D63-H65 PolarHBondContact O-N 3.27Å; D63-H65 PolarHBondContact O-ND1 3.25Å |
| 64 | L | 97.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -0.4 | 171.4 | -58.7 | -179.8 | 0 | 0 | 0 | 113.7 | Q60 L61 R62 I66 F158 I159 V163 V165 G166 | Q60-L64 WeakPolarHBondContact O-CG 3.28Å; L61-L64 HydrophobicContact CD2-CD1 4.34Å; L61-L64 WeakPolarHBondContact O-CB 3.5Å; L61-L64 PolarHBondContact O-N 3.37Å; R62-L64 PolarHBondContact O-N 3.05Å; L64-I66 HydrophobicContact CB-CD1 3.59Å; L64-I66 HydrophobicContact CB-CG1 4.38Å; L64-I66 HydrophobicContact CD1-CD1 4.13Å; L64-I66 HydrophobicContact CG-CD1 4.5Å; L64-I66 PolarHBondContact O-N 3.47Å; L64-F158 HydrophobicContact CD1-CB 4.17Å; L64-F158 HydrophobicContact CD2-CB 4Å; L64-I159 HydrophobicContact CD1-CG1 4.23Å; L64-I159 HydrophobicContact CD2-CG1 4.15Å; L64-I159 HydrophobicContact CG-CG1 4.41Å; L64-V163 HydrophobicContact CD2-CG2 3.57Å; L64-V165 CarbonylContact O-C 3.56Å; L64-V165 VanDerWaalsContact O-CA 3.26Å; L64-V165 WeakPolarHBondContact O-CA 3.42Å; L64-G166 PolarHBondContact O-N 3.29Å |
| 65 | H | 97.8 | Very high | 96.5 | Very high | 63 Ų | 63 | 37.1 Ų | 37.1 | 29% | 0.292 | 19% | 0.194 | S | C | . | . | trans | 42.5 | 61.1 | 178.2 | -53.5 | 105.8 | 0 | 0 | 0 | 113.5 | R62 D63 D164 W294 L298 | R62-H65 PolarHBondContact O-N 3.14Å; D63-H65 VanDerWaalsContact C-N 3.27Å; D63-H65 PolarHBondContact O-CE1 3.47Å; D63-H65 PolarHBondContact O-N 3.27Å; D63-H65 PolarHBondContact O-ND1 3.25Å; H65-D164 PolarHBondContact ND1-O 3.42Å; H65-W294 HydrophobicContact CB-CZ2 3.75Å; H65-W294 PolarHBondContact O-NE1 3.4Å; H65-L298 HydrophobicContact CB-CD1 4.46Å | ||
| 66 | I | 98.5 | Very high | 96.4 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | trans | -61.9 | 136.6 | -161.2 | -56.5 | -70.3 | 0 | 0 | 0 | 113.4 | L64 H68 G166 F168 F182 P185 C186 V187 | L64-I66 HydrophobicContact CB-CD1 3.59Å; L64-I66 HydrophobicContact CB-CG1 4.38Å; L64-I66 HydrophobicContact CD1-CD1 4.13Å; L64-I66 HydrophobicContact CG-CD1 4.5Å; L64-I66 PolarHBondContact O-N 3.47Å; I66-H68 HydrophobicContact CG2-CB 4.22Å; I66-G166 WeakPolarHBondContact CA-O 3.41Å; I66-F168 HydrophobicContact CD1-CD2 3.85Å; I66-F168 HydrophobicContact CD1-CE2 3.33Å; I66-F168 HydrophobicContact CD1-CZ 4.21Å; I66-F168 HydrophobicContact CG2-CD2 4Å; I66-F182 HydrophobicContact CB-CG 4.5Å; I66-F182 HydrophobicContact CD1-CD1 3.94Å; I66-F182 HydrophobicContact CD1-CE1 3.61Å; I66-F182 HydrophobicContact CD1-CZ 3.96Å; I66-F182 HydrophobicContact CG1-CD1 3.76Å; I66-F182 HydrophobicContact CG1-CE1 3.98Å; I66-F182 HydrophobicContact CG1-CG 4.12Å; I66-F182 HydrophobicContact CG2-CD1 4.39Å; I66-F182 HydrophobicContact CG2-CD2 3.77Å; I66-F182 HydrophobicContact CG2-CE2 3.96Å; I66-F182 HydrophobicContact CG2-CG 3.99Å; I66-F182 HydrophobicContact CG2-CZ 4.35Å; I66-P185 HydrophobicContact CB-CB 3.94Å; I66-P185 HydrophobicContact CG2-CB 3.89Å; I66-C186 PolarHBondContact O-N 2.97Å; I66-V187 PolarHBondContact O-N 3.07Å | ||
| 67 | I | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 118.1 | 160.1 | -59 | 174.6 | 0 | 0 | 0 | 108.2 | V69 I82 L86 V165 G166 I167 F168 V187 V189 T290 W294 | I67-V69 HydrophobicContact CG2-CG2 3.95Å; I67-I82 HydrophobicContact CD1-CG2 3.54Å; I67-I82 HydrophobicContact CG2-CD1 4.29Å; I67-L86 HydrophobicContact CD1-CD1 3.8Å; I67-V165 HydrophobicContact CD1-CG2 3.96Å; I67-V165 HydrophobicContact CG1-CG2 4.16Å; I67-G166 PolarHBondContact N-O 2.67Å; I67-I167 HydrophobicContact CB-CG1 4.41Å; I67-I167 HydrophobicContact CD1-CG1 4.46Å; I67-I167 WeakPolarHBondContact O-CA 3.48Å; I67-F168 PolarHBondContact O-N 3.37Å; I67-V187 WeakPolarHBondContact CA-O 3.24Å; I67-V189 HydrophobicContact CG2-CG2 4.23Å; I67-T290 HydrophobicContact CD1-CG2 4.48Å; I67-T290 HydrophobicContact CG2-CG2 3.85Å; I67-W294 HydrophobicContact CD1-CB 4.1Å; I67-W294 HydrophobicContact CD1-CD2 4.32Å; I67-W294 HydrophobicContact CD1-CG 3.72Å; I67-W294 HydrophobicContact CG1-CB 4.46Å; I67-W294 HydrophobicContact CG1-CG 3.96Å |
| 68 | H | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 117.1 | -175.2 | -161.5 | -167.1 | 0 | 0 | 0 | 111.1 | I66 F168 V170 T179 P185 V187 T188 V189 I215 | I66-H68 HydrophobicContact CG2-CB 4.22Å; H68-F168 PolarHBondContact CD2-O 2.99Å; H68-V170 VanDerWaalsContact NE2-CG2 3.28Å; H68-V170 WeakPolarHBondContact NE2-CG2 3.48Å; H68-T179 WeakPolarHBondContact NE2-CB 3.44Å; H68-T179 PolarHBondContact NE2-OG1 2.65Å; H68-P185 HydrophobicContact CB-CB 4.47Å; H68-V187 PolarHBondContact N-O 3.45Å; H68-T188 HydrophobicContact CB-CG2 4.4Å; H68-T188 CarbonylContact O-C 3.52Å; H68-T188 WeakPolarHBondContact O-CA 3.37Å; H68-V189 PolarHBondContact O-N 3.39Å; H68-I215 HydrophobicContact CB-CD1 4.45Å; H68-I215 WeakPolarHBondContact O-CD1 3.47Å |
| 69 | V | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124.8 | -167.9 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | I67 V78 C79 I82 F168 V170 V189 T191 | I67-V69 HydrophobicContact CG2-CG2 3.95Å; V69-V78 HydrophobicContact CG1-CG1 4.2Å; V69-C79 VanDerWaalsContact CB-SG 3.56Å; V69-C79 VanDerWaalsContact CG2-SG 3.59Å; V69-I82 HydrophobicContact CG2-CD1 4.47Å; V69-F168 PolarHBondContact N-O 3.37Å; V69-V170 WeakPolarHBondContact O-CB 3.37Å; V69-V170 WeakPolarHBondContact O-CG2 3.45Å; V69-V170 PolarHBondContact O-N 3.14Å; V69-V189 HydrophobicContact CB-CB 4.35Å; V69-V189 HydrophobicContact CG1-CB 4.16Å; V69-V189 HydrophobicContact CG1-CG1 4.26Å; V69-V189 HydrophobicContact CG2-CB 4.06Å; V69-V189 HydrophobicContact CG2-CG2 4.25Å; V69-T191 HydrophobicContact CG1-CG2 4.02Å |
| 70 | T | 98.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | -179.8 | 169.3 | -165.7 | 0 | 0 | 0 | 0 | 111.8 | G173 V189 V190 T191 K212 I215 | T70-G173 PolarHBondContact OG1-O 2.74Å; T70-V189 PolarHBondContact N-O 3.06Å; T70-V190 HydrophobicContact CG2-CB 4.36Å; T70-V190 HydrophobicContact CG2-CG1 4.16Å; T70-V190 HydrophobicContact CG2-CG2 3.89Å; T70-V190 WeakPolarHBondContact O-CA 3.32Å; T70-T191 WeakPolarHBondContact O-CG2 3.46Å; T70-T191 PolarHBondContact O-N 2.96Å; T70-K212 HydrophobicContact CG2-CB 3.72Å; T70-K212 HydrophobicContact CG2-CG 4.1Å; T70-I215 HydrophobicContact CG2-CD1 3.63Å; T70-I215 HydrophobicContact CG2-CG1 4.17Å |
| 71 | G | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | 138.4 | 171.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K75 T191 K212 | G71-K75 VanDerWaalsContact O-CD 3.28Å; G71-K75 WeakPolarHBondContact O-CD 3.27Å; G71-K75 PolarHBondContact O-NZ 2.9Å; G71-T191 VanDerWaalsContact CA-OG1 3.3Å; G71-T191 WeakPolarHBondContact CA-OG1 3.24Å; G71-K212 PolarHBondContact O-NZ 3.1Å | ||
| 72 | S | 92.7 | Very high | 96.7 | Very high | 6 Ų | 6 | 19.3 Ų | 19.3 | 4% | 0.042 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -88.5 | -39.1 | -177.4 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | S192 A194 E196 K212 | S72-S192 WeakPolarHBondContact CB-O 3.48Å; S72-S192 PolarHBondContact N-O 3.32Å; S72-A194 VanDerWaalsContact CB-N 3.3Å; S72-A194 PolarHBondContact OG-N 3.41Å; S72-A194 PolarHBondContact OG-O 3.05Å; S72-A194 VanDerWaalsContact OG-O 3.05Å; S72-E196 WeakPolarHBondContact CA-OE1 3.37Å; S72-E196 VanDerWaalsContact CB-CD 3.43Å; S72-E196 WeakPolarHBondContact CB-OE1 3.32Å; S72-E196 PolarHBondContact OG-OE1 3.42Å; S72-E196 VanDerWaalsContact OG-OE1 3.13Å; S72-K212 VanDerWaalsContact OG-CE 3.26Å; S72-K212 WeakPolarHBondContact OG-CE 3.31Å |
| 73 | K | 90.2 | Very high | 96.9 | Very high | 60 Ų | 60 | 15.6 Ų | 15.6 | 26% | 0.261 | 9% | 0.085 | S | C | . | . | B | Isolated β-bridge | trans | -132.4 | 143.7 | 179 | -58.9 | -66.6 | 179.1 | -178.9 | 0 | 110.6 | T191 S192 H353 | K73-T191 VanDerWaalsContact O-CB 3.22Å; K73-T191 WeakPolarHBondContact O-CB 3.23Å; K73-T191 PolarHBondContact O-OG1 2.91Å; K73-S192 PolarHBondContact N-O 3.38Å; K73-S192 PolarHBondContact O-OG 3.33Å; K73-H353 PolarHBondContact NZ-NE2 3.47Å |
| 74 | G | 93 | Very high | 97 | Very high | 20 Ų | 20 | 12.1 Ų | 12.1 | 21% | 0.206 | 7% | 0.066 | C | C | . | . | S | Bend | trans | 89.9 | -5.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | G76 S77 V78 | G74-G76 PolarHBondContact O-N 3.41Å; G74-S77 WeakPolarHBondContact O-CB 3.09Å; G74-S77 PolarHBondContact O-N 3.46Å; G74-S77 VanDerWaalsContact O-N 3.07Å; G74-V78 WeakPolarHBondContact O-CG2 3.48Å; G74-V78 PolarHBondContact O-N 3.48Å |
| 75 | K | 96 | Very high | 97 | Very high | 29 Ų | 29 | 12 Ų | 12 | 13% | 0.126 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -45 | -65.8 | 178.6 | -67.7 | -171 | -62 | -64.3 | 0 | 113.7 | G71 S77 V78 C79 E169 V170 T191 | G71-K75 VanDerWaalsContact O-CD 3.28Å; G71-K75 WeakPolarHBondContact O-CD 3.27Å; G71-K75 PolarHBondContact O-NZ 2.9Å; K75-S77 VanDerWaalsContact C-N 3.28Å; K75-S77 PolarHBondContact O-N 2.92Å; K75-V78 PolarHBondContact O-N 3.11Å; K75-V78 VanDerWaalsContact O-N 3.14Å; K75-C79 PolarHBondContact O-N 3.5Å; K75-C79 PolarHBondContact O-SG 2.85Å; K75-C79 VanDerWaalsContact O-SG 3.32Å; K75-E169 HydrophobicContact CB-CG 3.99Å; K75-E169 WeakPolarHBondContact CB-OE1 3.21Å; K75-E169 HydrophobicContact CD-CG 4.21Å; K75-E169 WeakPolarHBondContact CE-OE1 3.33Å; K75-V170 VanDerWaalsContact CE-O 3.31Å; K75-V170 WeakPolarHBondContact CE-O 3.37Å; K75-T191 HydrophobicContact CG-CG2 4.48Å |
| 76 | G | 95.2 | Very high | 97.1 | Very high | 7 Ų | 7 | 9 Ų | 9 | 7% | 0.072 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -57.5 | -34.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G74 S80 E169 | G74-G76 PolarHBondContact O-N 3.41Å; G76-S80 VanDerWaalsContact O-CB 3.23Å; G76-S80 WeakPolarHBondContact O-CB 3.49Å; G76-S80 PolarHBondContact O-N 3.46Å; G76-E169 PolarHBondContact N-OE1 2.94Å; G76-E169 VanDerWaalsContact N-OE1 3.11Å |
| 77 | S | 95.2 | Very high | 97.1 | Very high | 10 Ų | 10 | 11.9 Ų | 11.9 | 7% | 0.07 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.8 | -45.1 | 174.9 | -65.4 | 0 | 0 | 0 | 0 | 111.9 | G74 K75 S80 M81 | G74-S77 WeakPolarHBondContact O-CB 3.09Å; G74-S77 PolarHBondContact O-N 3.46Å; G74-S77 VanDerWaalsContact O-N 3.07Å; K75-S77 VanDerWaalsContact C-N 3.28Å; K75-S77 PolarHBondContact O-N 2.92Å; S77-S80 PolarHBondContact O-N 3.47Å; S77-M81 VanDerWaalsContact O-CG 3.29Å; S77-M81 WeakPolarHBondContact O-CG 3.28Å; S77-M81 PolarHBondContact O-N 2.92Å |
| 78 | V | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 176.2 | 168.1 | 0 | 0 | 0 | 0 | 110.5 | V69 G74 K75 S80 M81 I82 V189 T191 N283 L286 S287 | V69-V78 HydrophobicContact CG1-CG1 4.2Å; G74-V78 WeakPolarHBondContact O-CG2 3.48Å; G74-V78 PolarHBondContact O-N 3.48Å; K75-V78 PolarHBondContact O-N 3.11Å; K75-V78 VanDerWaalsContact O-N 3.14Å; V78-S80 VanDerWaalsContact C-N 3.32Å; V78-S80 PolarHBondContact O-N 3.43Å; V78-M81 PolarHBondContact O-N 3.36Å; V78-I82 HydrophobicContact CG1-CD1 3.56Å; V78-I82 HydrophobicContact CG1-CG1 4.38Å; V78-I82 WeakPolarHBondContact O-CB 3.44Å; V78-I82 WeakPolarHBondContact O-CD1 3.39Å; V78-I82 VanDerWaalsContact O-CG1 3.24Å; V78-I82 WeakPolarHBondContact O-CG1 3.34Å; V78-I82 PolarHBondContact O-N 3.36Å; V78-V189 HydrophobicContact CG1-CG1 4.34Å; V78-T191 HydrophobicContact CB-CG2 4.07Å; V78-T191 HydrophobicContact CG1-CG2 4.39Å; V78-T191 HydrophobicContact CG2-CG2 3.74Å; V78-N283 HydrophobicContact CG2-CB 3.62Å; V78-L286 HydrophobicContact CG1-CD2 4.47Å; V78-L286 HydrophobicContact CG1-CG 4.49Å; V78-L286 HydrophobicContact CG2-CD2 4.17Å; V78-S287 WeakPolarHBondContact CA-OG 3.31Å; V78-S287 PolarHBondContact O-OG 2.91Å |
| 79 | C | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.7 | -42.8 | 175.5 | -64.8 | 0 | 0 | 0 | 0 | 112.2 | V69 K75 I82 E83 F95 I167 | V69-C79 VanDerWaalsContact CB-SG 3.56Å; V69-C79 VanDerWaalsContact CG2-SG 3.59Å; K75-C79 PolarHBondContact O-N 3.5Å; K75-C79 PolarHBondContact O-SG 2.85Å; K75-C79 VanDerWaalsContact O-SG 3.32Å; C79-I82 PolarHBondContact O-N 2.95Å; C79-E83 VanDerWaalsContact O-CB 3.25Å; C79-E83 WeakPolarHBondContact O-CB 3.44Å; C79-E83 PolarHBondContact O-N 3.32Å; C79-F95 HydrophobicContact CB-CD2 4.02Å; C79-F95 HydrophobicContact CB-CE1 3.88Å; C79-F95 HydrophobicContact CB-CE2 3.3Å; C79-F95 HydrophobicContact CB-CZ 3.22Å; C79-I167 HydrophobicContact CB-CG2 3.86Å |
| 80 | S | 97.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 22.6 Ų | 22.6 | 5% | 0.049 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 177.7 | 175.1 | 0 | 0 | 0 | 0 | 112.7 | G76 S77 V78 N84 R332 | G76-S80 VanDerWaalsContact O-CB 3.23Å; G76-S80 WeakPolarHBondContact O-CB 3.49Å; G76-S80 PolarHBondContact O-N 3.46Å; S77-S80 PolarHBondContact O-N 3.47Å; V78-S80 VanDerWaalsContact C-N 3.32Å; V78-S80 PolarHBondContact O-N 3.43Å; S80-N84 WeakPolarHBondContact O-CB 3.4Å; S80-N84 PolarHBondContact O-N 3.28Å; S80-R332 PolarHBondContact OG-O 3.43Å; S80-R332 VanDerWaalsContact OG-O 3.08Å |
| 81 | M | 98.2 | Very high | 96.9 | Very high | 23 Ų | 23 | 24.7 Ų | 24.7 | 11% | 0.113 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.9 | -47.7 | 175.5 | -72 | 169.4 | -177.9 | 0 | 0 | 111.2 | S77 V78 N84 I85 N283 L284 S287 A331 | S77-M81 VanDerWaalsContact O-CG 3.29Å; S77-M81 WeakPolarHBondContact O-CG 3.28Å; S77-M81 PolarHBondContact O-N 2.92Å; V78-M81 PolarHBondContact O-N 3.36Å; M81-N84 PolarHBondContact O-N 3.17Å; M81-I85 WeakPolarHBondContact O-CD1 3.31Å; M81-I85 WeakPolarHBondContact O-CG1 3.17Å; M81-I85 PolarHBondContact O-N 3.13Å; M81-N283 HydrophobicContact CE-CB 4.43Å; M81-N283 HydrophobicContact SD-CB 4.19Å; M81-L284 HydrophobicContact SD-CB 4.29Å; M81-L284 HydrophobicContact SD-CD1 4.43Å; M81-S287 WeakPolarHBondContact CB-OG 3.01Å; M81-A331 HydrophobicContact CB-CB 4.33Å; M81-A331 HydrophobicContact CG-CB 3.86Å |
| 82 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58 | -50.1 | 175.9 | -67.7 | 163.5 | 0 | 0 | 0 | 110.6 | I67 V69 V78 C79 N84 I85 L86 I167 T290 V291 | I67-I82 HydrophobicContact CD1-CG2 3.54Å; I67-I82 HydrophobicContact CG2-CD1 4.29Å; V69-I82 HydrophobicContact CG2-CD1 4.47Å; V78-I82 HydrophobicContact CG1-CD1 3.56Å; V78-I82 HydrophobicContact CG1-CG1 4.38Å; V78-I82 WeakPolarHBondContact O-CB 3.44Å; V78-I82 WeakPolarHBondContact O-CD1 3.39Å; V78-I82 VanDerWaalsContact O-CG1 3.24Å; V78-I82 WeakPolarHBondContact O-CG1 3.34Å; V78-I82 PolarHBondContact O-N 3.36Å; C79-I82 PolarHBondContact O-N 2.95Å; I82-N84 VanDerWaalsContact C-N 3.32Å; I82-N84 PolarHBondContact O-N 3.41Å; I82-I85 PolarHBondContact O-N 3.31Å; I82-L86 HydrophobicContact CG2-CD1 3.79Å; I82-L86 HydrophobicContact CG2-CG 4.44Å; I82-L86 WeakPolarHBondContact O-CG 3.45Å; I82-L86 PolarHBondContact O-N 2.66Å; I82-I167 HydrophobicContact CB-CD1 4.49Å; I82-I167 HydrophobicContact CG2-CD1 3.86Å; I82-I167 HydrophobicContact CG2-CG1 4.29Å; I82-T290 HydrophobicContact CD1-CG2 3.66Å; I82-T290 HydrophobicContact CG1-CG2 4.3Å; I82-V291 HydrophobicContact CB-CG2 4.32Å; I82-V291 HydrophobicContact CG1-CG2 4.25Å; I82-V291 HydrophobicContact CG2-CG2 4Å |
| 83 | E | 98.7 | Very high | 97.3 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.4 | -48.8 | 178.2 | -172.8 | -72.3 | 144.7 | 0 | 0 | 110.9 | C79 I85 L86 R87 T93 F95 G112 I167 | C79-E83 VanDerWaalsContact O-CB 3.25Å; C79-E83 WeakPolarHBondContact O-CB 3.44Å; C79-E83 PolarHBondContact O-N 3.32Å; E83-I85 PolarHBondContact O-N 3.26Å; E83-L86 PolarHBondContact O-N 2.92Å; E83-R87 VanDerWaalsContact O-CB 3.26Å; E83-R87 WeakPolarHBondContact O-CB 3.18Å; E83-R87 PolarHBondContact O-N 3.41Å; E83-R87 WeakPolarHBondContact OE1-CD 3.24Å; E83-R87 IonicContact OE1-CZ 3.15Å; E83-R87 IonicContact OE1-NE 2.71Å; E83-R87 PolarHBondContact OE1-NE 3.31Å; E83-R87 IonicContact OE1-NH2 3.5Å; E83-R87 IonicContact OE2-CZ 3.32Å; E83-R87 IonicContact OE2-NE 3.86Å; E83-R87 PolarHBondContact OE2-NE 3.06Å; E83-R87 IonicContact OE2-NH2 2.63Å; E83-R87 PolarHBondContact OE2-NH2 3.5Å; E83-T93 HydrophobicContact CG-CG2 4.37Å; E83-T93 PolarHBondContact OE1-OG1 3.25Å; E83-F95 HydrophobicContact CG-CB 4.33Å; E83-G112 WeakPolarHBondContact OE1-CA 3.46Å; E83-G112 PolarHBondContact OE1-N 3.35Å; E83-I167 VanDerWaalsContact CA-CD1 3.48Å; E83-I167 HydrophobicContact CB-CD1 3.66Å; E83-I167 HydrophobicContact CG-CD1 4.23Å |
| 84 | N | 98.5 | Very high | 97.7 | Very high | 11 Ų | 11 | 25.7 Ų | 25.7 | 6% | 0.059 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.3 | -40.4 | -176.7 | -167.5 | 56 | 0 | 0 | 0 | 111.3 | S80 M81 I82 R87 Q88 N327 S330 A331 | S80-N84 WeakPolarHBondContact O-CB 3.4Å; S80-N84 PolarHBondContact O-N 3.28Å; M81-N84 PolarHBondContact O-N 3.17Å; I82-N84 VanDerWaalsContact C-N 3.32Å; I82-N84 PolarHBondContact O-N 3.41Å; N84-R87 PolarHBondContact OD1-NH2 2.87Å; N84-Q88 VanDerWaalsContact O-CB 3.25Å; N84-Q88 WeakPolarHBondContact O-CB 3.26Å; N84-Q88 WeakPolarHBondContact O-CG 3.48Å; N84-Q88 PolarHBondContact O-N 3.09Å; N84-N327 PolarHBondContact ND2-O 2.71Å; N84-S330 PolarHBondContact ND2-OG 3.22Å; N84-A331 HydrophobicContact CB-CB 3.88Å; N84-A331 PolarHBondContact ND2-N 3.42Å |
| 85 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.2 | -50.6 | 175.5 | -62.7 | 157.7 | 0 | 0 | 0 | 110.6 | M81 I82 E83 Q88 S89 L288 V291 V324 N327 A328 | M81-I85 WeakPolarHBondContact O-CD1 3.31Å; M81-I85 WeakPolarHBondContact O-CG1 3.17Å; M81-I85 PolarHBondContact O-N 3.13Å; I82-I85 PolarHBondContact O-N 3.31Å; E83-I85 PolarHBondContact O-N 3.26Å; I85-Q88 PolarHBondContact O-N 3.28Å; I85-S89 WeakPolarHBondContact O-CB 3.39Å; I85-S89 PolarHBondContact O-N 3.46Å; I85-S89 PolarHBondContact O-OG 3.5Å; I85-L288 HydrophobicContact CD1-CD2 4.24Å; I85-V291 HydrophobicContact CB-CG2 4.14Å; I85-V291 HydrophobicContact CD1-CG2 3.95Å; I85-V291 HydrophobicContact CG2-CB 4.38Å; I85-V291 HydrophobicContact CG2-CG1 3.8Å; I85-V291 HydrophobicContact CG2-CG2 4.13Å; I85-V324 HydrophobicContact CG2-CG1 3.98Å; I85-N327 HydrophobicContact CG1-CB 4.38Å; I85-A328 HydrophobicContact CD1-CB 3.56Å; I85-A328 HydrophobicContact CG1-CB 3.7Å |
| 86 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.1 | -44.1 | -175.8 | -67.4 | 177 | 0 | 0 | 0 | 111.8 | I67 I82 E83 Q88 S89 G90 F91 T93 V165 V291 W294 | I67-L86 HydrophobicContact CD1-CD1 3.8Å; I82-L86 HydrophobicContact CG2-CD1 3.79Å; I82-L86 HydrophobicContact CG2-CG 4.44Å; I82-L86 WeakPolarHBondContact O-CG 3.45Å; I82-L86 PolarHBondContact O-N 2.66Å; E83-L86 PolarHBondContact O-N 2.92Å; L86-Q88 PolarHBondContact O-N 3.03Å; L86-S89 CarbonylContact O-C 3.46Å; L86-S89 WeakPolarHBondContact O-CA 3.47Å; L86-S89 WeakPolarHBondContact O-CB 3.38Å; L86-S89 PolarHBondContact O-N 2.9Å; L86-G90 PolarHBondContact O-N 3.34Å; L86-F91 HydrophobicContact CB-CB 4.42Å; L86-F91 HydrophobicContact CB-CD2 4.36Å; L86-F91 HydrophobicContact CD2-CD2 4.12Å; L86-F91 HydrophobicContact CD2-CE2 4.41Å; L86-F91 WeakPolarHBondContact O-CD2 3.4Å; L86-F91 PolarHBondContact O-N 3.37Å; L86-F91 VanDerWaalsContact O-N 3.15Å; L86-T93 HydrophobicContact CB-CG2 4.03Å; L86-V165 HydrophobicContact CB-CG1 4.39Å; L86-V165 HydrophobicContact CD1-CB 4.35Å; L86-V165 HydrophobicContact CD1-CG1 3.89Å; L86-V165 HydrophobicContact CD1-CG2 3.9Å; L86-V291 HydrophobicContact CD2-CG1 3.8Å; L86-V291 HydrophobicContact CD2-CG2 4.29Å; L86-V291 HydrophobicContact CG-CG2 4.16Å; L86-W294 HydrophobicContact CD1-CD2 4.43Å; L86-W294 HydrophobicContact CD1-CE3 4.28Å; L86-W294 HydrophobicContact CD1-CZ3 4.44Å; L86-W294 HydrophobicContact CD2-CD2 4.49Å; L86-W294 HydrophobicContact CD2-CE3 3.61Å; L86-W294 HydrophobicContact CD2-CH2 4.48Å; L86-W294 HydrophobicContact CD2-CZ3 3.59Å |
| 87 | R | 98.5 | Very high | 98.2 | Very high | 67 Ų | 67 | 23.4 Ų | 23.4 | 25% | 0.253 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 175.5 | 176.7 | 167.8 | 49.2 | 69.1 | 7.4 | 112.5 | E83 N84 S89 G90 F91 T93 N111 | E83-R87 VanDerWaalsContact O-CB 3.26Å; E83-R87 WeakPolarHBondContact O-CB 3.18Å; E83-R87 PolarHBondContact O-N 3.41Å; E83-R87 WeakPolarHBondContact OE1-CD 3.24Å; E83-R87 IonicContact OE1-CZ 3.15Å; E83-R87 IonicContact OE1-NE 2.71Å; E83-R87 PolarHBondContact OE1-NE 3.31Å; E83-R87 IonicContact OE1-NH2 3.5Å; E83-R87 IonicContact OE2-CZ 3.32Å; E83-R87 IonicContact OE2-NE 3.86Å; E83-R87 PolarHBondContact OE2-NE 3.06Å; E83-R87 IonicContact OE2-NH2 2.63Å; E83-R87 PolarHBondContact OE2-NH2 3.5Å; N84-R87 PolarHBondContact OD1-NH2 2.87Å; R87-S89 PolarHBondContact O-N 3.15Å; R87-G90 PolarHBondContact O-N 3.45Å; R87-F91 WeakPolarHBondContact CA-O 3.45Å; R87-T93 HydrophobicContact CB-CG2 3.87Å; R87-N111 WeakPolarHBondContact CD-O 3.35Å; R87-N111 PolarHBondContact NE-O 3.32Å |
| 88 | Q | 98.1 | Very high | 98 | Very high | 99 Ų | 99 | 24.2 Ų | 24.2 | 46% | 0.463 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -69 | -16.9 | 177.6 | -62.9 | -67.6 | -9.1 | 0 | 0 | 112.3 | N84 I85 L86 G90 N327 | N84-Q88 VanDerWaalsContact O-CB 3.25Å; N84-Q88 WeakPolarHBondContact O-CB 3.26Å; N84-Q88 WeakPolarHBondContact O-CG 3.48Å; N84-Q88 PolarHBondContact O-N 3.09Å; I85-Q88 PolarHBondContact O-N 3.28Å; L86-Q88 PolarHBondContact O-N 3.03Å; Q88-G90 VanDerWaalsContact C-N 3.32Å; Q88-N327 HydrophobicContact CB-CB 4.22Å; Q88-N327 VanDerWaalsContact CB-ND2 3.3Å; Q88-N327 WeakPolarHBondContact CB-ND2 3.27Å; Q88-N327 HydrophobicContact CG-CB 4.48Å |
| 89 | S | 97 | Very high | 97.6 | Very high | 58 Ų | 58 | 26.8 Ų | 26.8 | 41% | 0.406 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 2.1 | 172.7 | -53.3 | 0 | 0 | 0 | 0 | 113.3 | I85 L86 R87 | I85-S89 WeakPolarHBondContact O-CB 3.39Å; I85-S89 PolarHBondContact O-N 3.46Å; I85-S89 PolarHBondContact O-OG 3.5Å; L86-S89 CarbonylContact O-C 3.46Å; L86-S89 WeakPolarHBondContact O-CA 3.47Å; L86-S89 WeakPolarHBondContact O-CB 3.38Å; L86-S89 PolarHBondContact O-N 2.9Å; R87-S89 PolarHBondContact O-N 3.15Å |
| 90 | G | 97.5 | Very high | 97.3 | Very high | 69 Ų | 69 | 28.8 Ų | 28.8 | 71% | 0.711 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 100.3 | -2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L86 R87 Q88 | L86-G90 PolarHBondContact O-N 3.34Å; R87-G90 PolarHBondContact O-N 3.45Å; Q88-G90 VanDerWaalsContact C-N 3.32Å |
| 91 | F | 98.5 | Very high | 97 | Very high | 44 Ų | 44 | 29.4 Ų | 29.4 | 19% | 0.193 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -78.9 | 143 | 177.4 | -63.7 | -78.7 | 0 | 0 | 0 | 111.6 | L86 R87 T93 D164 W294 L295 L298 | L86-F91 HydrophobicContact CB-CB 4.42Å; L86-F91 HydrophobicContact CB-CD2 4.36Å; L86-F91 HydrophobicContact CD2-CD2 4.12Å; L86-F91 HydrophobicContact CD2-CE2 4.41Å; L86-F91 WeakPolarHBondContact O-CD2 3.4Å; L86-F91 PolarHBondContact O-N 3.37Å; L86-F91 VanDerWaalsContact O-N 3.15Å; R87-F91 WeakPolarHBondContact CA-O 3.45Å; F91-T93 PolarHBondContact O-N 3.02Å; F91-D164 HydrophobicContact CB-CB 4.29Å; F91-D164 HydrophobicContact CD1-CB 3.92Å; F91-W294 AromaticContact CD1-CH2 3.92Å; F91-W294 HydrophobicContact CD1-CH2 3.92Å; F91-W294 HydrophobicContact CD1-CZ3 4.35Å; F91-W294 HydrophobicContact CD2-CH2 4.47Å; F91-W294 HydrophobicContact CD2-CZ3 4.2Å; F91-W294 AromaticContact CE1-CH2 3.86Å; F91-W294 HydrophobicContact CE1-CH2 3.86Å; F91-W294 HydrophobicContact CE1-CZ3 4.06Å; F91-W294 HydrophobicContact CE2-CH2 4.43Å; F91-W294 AromaticContact CE2-CZ3 3.92Å; F91-W294 HydrophobicContact CE2-CZ3 3.92Å; F91-W294 HydrophobicContact CG-CH2 4.22Å; F91-W294 HydrophobicContact CG-CZ3 4.41Å; F91-W294 HydrophobicContact CZ-CH2 4.14Å; F91-W294 AromaticContact CZ-CZ3 3.83Å; F91-W294 HydrophobicContact CZ-CZ3 3.83Å; F91-L295 HydrophobicContact CE2-CD2 3.83Å; F91-L295 HydrophobicContact CZ-CD2 3.91Å; F91-L298 HydrophobicContact CE1-CD2 3.72Å; F91-L298 HydrophobicContact CZ-CD2 3.91Å |
| 92 | R | 98.7 | Very high | 96.7 | Very high | 86 Ų | 86 | 30.4 Ų | 30.4 | 33% | 0.325 | 17% | 0.17 | S | C | . | . | P | Polyproline II helix | trans | -79.2 | 116.8 | 168.1 | -166.2 | 172 | -167.4 | 175.5 | 1.1 | 109.2 | N111 E161 V163 D164 V165 | R92-N111 WeakPolarHBondContact CA-OD1 3.32Å; R92-N111 WeakPolarHBondContact CG-OD1 3.46Å; R92-E161 WeakPolarHBondContact CD-O 3.32Å; R92-E161 IonicContact CZ-OE2 2.76Å; R92-E161 PolarHBondContact NE-O 2.9Å; R92-E161 PolarHBondContact NH1-O 2.68Å; R92-E161 IonicContact NH1-OE2 3.44Å; R92-E161 IonicContact NH2-OE2 3.42Å; R92-E161 PolarHBondContact NH2-OE2 3.27Å; R92-V163 HydrophobicContact CG-CG1 4.3Å; R92-V163 CarbonylContact O-C 3.57Å; R92-V163 WeakPolarHBondContact O-CB 3.06Å; R92-D164 WeakPolarHBondContact CB-OD2 3.42Å; R92-D164 PolarHBondContact N-OD2 3.09Å; R92-D164 PolarHBondContact O-N 3.28Å; R92-V165 PolarHBondContact O-N 2.87Å |
| 93 | T | 98.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 137.4 | -172.1 | 58.4 | 0 | 0 | 0 | 0 | 111.6 | E83 L86 R87 F91 I110 N111 V165 | E83-T93 HydrophobicContact CG-CG2 4.37Å; E83-T93 PolarHBondContact OE1-OG1 3.25Å; L86-T93 HydrophobicContact CB-CG2 4.03Å; R87-T93 HydrophobicContact CB-CG2 3.87Å; F91-T93 PolarHBondContact O-N 3.02Å; T93-I110 WeakPolarHBondContact O-CA 3.32Å; T93-N111 PolarHBondContact N-OD1 3.02Å; T93-N111 PolarHBondContact O-N 3.1Å; T93-N111 WeakPolarHBondContact OG1-CA 3.26Å; T93-N111 PolarHBondContact OG1-N 3.46Å; T93-V165 HydrophobicContact CG2-CG1 3.7Å |
| 94 | G | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | R109 F158 V165 I167 | G94-R109 CarbonylContact C-O 3.57Å; G94-R109 WeakPolarHBondContact CA-O 3.22Å; G94-F158 VanDerWaalsContact C-CZ 3.47Å; G94-V165 PolarHBondContact N-O 3.32Å; G94-I167 PolarHBondContact O-N 3Å |
| 95 | F | 98.7 | Very high | 96 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 117.6 | 177.4 | 172.8 | -155.3 | 0 | 0 | 0 | 111.4 | C79 E83 S97 R109 F158 I167 E169 W333 | C79-F95 HydrophobicContact CB-CD2 4.02Å; C79-F95 HydrophobicContact CB-CE1 3.88Å; C79-F95 HydrophobicContact CB-CE2 3.3Å; C79-F95 HydrophobicContact CB-CZ 3.22Å; E83-F95 HydrophobicContact CG-CB 4.33Å; F95-S97 VanDerWaalsContact CZ-CB 3.47Å; F95-R109 HydrophobicContact CB-CB 4.28Å; F95-R109 PolarHBondContact N-O 3.36Å; F95-R109 PolarHBondContact O-N 2.95Å; F95-F158 VanDerWaalsContact C-CZ 3.48Å; F95-I167 CarbonylContact C-O 3.58Å; F95-I167 WeakPolarHBondContact CA-O 3.23Å; F95-I167 HydrophobicContact CB-CB 4.37Å; F95-I167 HydrophobicContact CD2-CB 4.2Å; F95-I167 HydrophobicContact CD2-CG2 4.04Å; F95-I167 WeakPolarHBondContact CD2-O 3.48Å; F95-E169 HydrophobicContact CE2-CB 4.14Å; F95-W333 HydrophobicContact CD1-CH2 4.17Å; F95-W333 HydrophobicContact CD1-CZ3 4.16Å; F95-W333 HydrophobicContact CE1-CE3 4.25Å; F95-W333 AromaticContact CE1-CH2 3.27Å; F95-W333 HydrophobicContact CE1-CH2 3.27Å; F95-W333 AromaticContact CE1-CZ2 3.99Å; F95-W333 HydrophobicContact CE1-CZ2 3.99Å; F95-W333 AromaticContact CE1-CZ3 3.43Å; F95-W333 HydrophobicContact CE1-CZ3 3.43Å; F95-W333 VanDerWaalsContact CE1-CZ3 3.43Å; F95-W333 AromaticContact CZ-CH2 3.77Å; F95-W333 HydrophobicContact CZ-CH2 3.77Å; F95-W333 HydrophobicContact CZ-CZ2 4.07Å; F95-W333 HydrophobicContact CZ-CZ3 4.32Å |
| 96 | L | 98.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 115.7 | 169.4 | 179.5 | 68.4 | 0 | 0 | 0 | 110.5 | R107 I108 I150 F151 A154 F158 I167 F168 E169 T179 | L96-R107 CarbonylContact C-O 3.41Å; L96-R107 VanDerWaalsContact CA-O 3.23Å; L96-R107 WeakPolarHBondContact CA-O 3.37Å; L96-R107 HydrophobicContact CD1-CB 4.44Å; L96-R107 WeakPolarHBondContact CD1-O 3.46Å; L96-I108 HydrophobicContact CD1-CG1 4.28Å; L96-I150 HydrophobicContact CD1-CG2 3.57Å; L96-F151 HydrophobicContact CD2-CB 4.49Å; L96-F151 HydrophobicContact CD2-CD2 3.88Å; L96-A154 HydrophobicContact CB-CB 4.18Å; L96-A154 HydrophobicContact CD1-CB 3.68Å; L96-A154 HydrophobicContact CD2-CB 4.24Å; L96-A154 HydrophobicContact CG-CB 4.23Å; L96-F158 HydrophobicContact CB-CE2 4.4Å; L96-F158 HydrophobicContact CB-CZ 4.35Å; L96-I167 PolarHBondContact N-O 2.96Å; L96-F168 HydrophobicContact CB-CD1 3.85Å; L96-F168 HydrophobicContact CB-CE1 4.24Å; L96-F168 HydrophobicContact CD2-CD1 3.75Å; L96-F168 HydrophobicContact CD2-CE1 4.22Å; L96-F168 HydrophobicContact CG-CD1 4.45Å; L96-E169 VanDerWaalsContact O-CB 3.31Å; L96-E169 WeakPolarHBondContact O-CB 3.46Å; L96-E169 PolarHBondContact O-N 2.88Å; L96-T179 HydrophobicContact CD2-CG2 4.14Å |
| 97 | S | 96.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | trans | -112.1 | 159 | -178 | 71.7 | 0 | 0 | 0 | 0 | 114.2 | F95 E106 R107 E169 | F95-S97 VanDerWaalsContact CZ-CB 3.47Å; S97-E106 PolarHBondContact OG-O 2.98Å; S97-R107 PolarHBondContact N-O 2.9Å; S97-R107 PolarHBondContact O-NH1 2.87Å; S97-R107 WeakPolarHBondContact OG-CA 3.39Å; S97-E169 WeakPolarHBondContact CA-OE2 3.38Å | ||
| 98 | S | 90.8 | Very high | 95.9 | Very high | 27 Ų | 27 | 31 Ų | 31 | 19% | 0.189 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -152.9 | 135.7 | 174.9 | -171 | 0 | 0 | 0 | 0 | 114.5 | R107 E169 | S98-R107 VanDerWaalsContact CB-NH1 3.28Å; S98-R107 PolarHBondContact OG-NH1 3.35Å; S98-E169 PolarHBondContact N-OE2 3.27Å |
| 99 | P | 91 | Very high | 95.9 | Very high | 53 Ų | 53 | 27 Ų | 27 | 34% | 0.344 | 16% | 0.157 | S | C | . | . | S | Bend | cis | -79.7 | 172.4 | -11.7 | 35.8 | -35.8 | 0 | 0 | 0 | 112.7 | L507 | P99-L507 HydrophobicContact CG-CD1 3.77Š|
| 100 | H | 92.4 | Very high | 96 | Very high | 43 Ų | 43 | 25.2 Ų | 25.2 | 20% | 0.199 | 14% | 0.143 | C | C | . | . | trans | -72.7 | 159.2 | 162.5 | 51.6 | -111.9 | 0 | 0 | 0 | 111.4 | N103 V104 E106 R107 | H100-N103 WeakPolarHBondContact CB-O 3.37Å; H100-V104 WeakPolarHBondContact ND1-CA 3.13Å; H100-E106 HydrophobicContact CB-CB 4.03Å; H100-R107 HydrophobicContact CB-CG 3.98Å; H100-R107 PolarHBondContact ND1-NE 2.87Å | ||
| 101 | L | 91 | Very high | 96 | Very high | 20 Ų | 20 | 25 Ų | 25 | 11% | 0.105 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -89.2 | -50.5 | 174.2 | -79 | 160.1 | 0 | 0 | 0 | 112.2 | E106 P334 L507 V510 L514 V521 | L101-E106 WeakPolarHBondContact CB-OE2 3.45Å; L101-E106 PolarHBondContact N-OE2 2.59Å; L101-P334 HydrophobicContact CD1-CB 3.56Å; L101-P334 WeakPolarHBondContact CD1-O 3.38Å; L101-L507 HydrophobicContact CD2-CB 4.03Å; L101-L507 HydrophobicContact CD2-CD2 3.66Å; L101-L507 HydrophobicContact CD2-CG 4.42Å; L101-L507 WeakPolarHBondContact CD2-O 3.35Å; L101-V510 HydrophobicContact CD2-CB 4.39Å; L101-V510 HydrophobicContact CD2-CG1 4.3Å; L101-L514 HydrophobicContact CD1-CD1 4.05Å; L101-V521 HydrophobicContact CB-CG1 4.43Å; L101-V521 HydrophobicContact CD1-CG1 3.96Å |
| 102 | I | 91 | Very high | 95.9 | Very high | 43 Ų | 43 | 23.8 Ų | 23.8 | 22% | 0.221 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -120.2 | -59 | -173.6 | -46.1 | 178.2 | 0 | 0 | 0 | 110.8 | E106 G511 L514 K515 V521 | I102-E106 WeakPolarHBondContact CA-OE1 3.22Å; I102-E106 WeakPolarHBondContact CB-OE1 3.17Å; I102-E106 PolarHBondContact N-OE1 3.27Å; I102-E106 PolarHBondContact N-OE2 2.78Å; I102-G511 WeakPolarHBondContact CD1-O 3.41Å; I102-G511 WeakPolarHBondContact CG1-O 3.48Å; I102-L514 HydrophobicContact CD1-CB 3.8Å; I102-K515 HydrophobicContact CD1-CB 4.08Å; I102-K515 HydrophobicContact CG2-CB 4.23Å; I102-K515 HydrophobicContact CG2-CD 4.1Å; I102-K515 HydrophobicContact CG2-CG 4.33Å; I102-V521 HydrophobicContact CD1-CG2 3.48Å; I102-V521 VanDerWaalsContact CD1-CG2 3.48Å; I102-V521 HydrophobicContact CG1-CG2 4.1Å |
| 103 | N | 92.1 | Very high | 95.8 | Very high | 46 Ų | 46 | 28.9 Ų | 28.9 | 25% | 0.246 | 15% | 0.145 | C | C | . | . | trans | -122 | 149.8 | -172.3 | -48.6 | -79.9 | 0 | 0 | 0 | 111.4 | H100 E105 E106 R117 | H100-N103 WeakPolarHBondContact CB-O 3.37Å; N103-E105 VanDerWaalsContact C-N 3.28Å; N103-E105 HydrophobicContact CB-CG 4.25Å; N103-E105 WeakPolarHBondContact CB-OE1 3.39Å; N103-E105 VanDerWaalsContact CB-OE2 3.22Å; N103-E105 WeakPolarHBondContact CB-OE2 3.26Å; N103-E105 PolarHBondContact O-N 2.73Å; N103-E106 PolarHBondContact N-OE1 2.82Å; N103-E106 WeakPolarHBondContact O-CB 3.37Å; N103-E106 VanDerWaalsContact O-CG 3.26Å; N103-E106 WeakPolarHBondContact O-CG 3.44Å; N103-E106 PolarHBondContact O-N 3.29Å; N103-R117 PolarHBondContact OD1-NH2 3.07Å | ||
| 104 | V | 94.9 | Very high | 95.8 | Very high | 11 Ų | 11 | 30.6 Ų | 30.6 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -67.7 | -28 | -171.9 | 69.3 | 0 | 0 | 0 | 0 | 113.9 | I18 L21 H100 E106 R107 F120 F146 I150 | I18-V104 HydrophobicContact CD1-CB 4.44Å; I18-V104 HydrophobicContact CD1-CG1 3.24Å; L21-V104 HydrophobicContact CD2-CG2 4.36Å; H100-V104 WeakPolarHBondContact ND1-CA 3.13Å; V104-E106 PolarHBondContact O-N 3.4Å; V104-R107 VanDerWaalsContact O-CB 3.31Å; V104-R107 WeakPolarHBondContact O-CB 3.46Å; V104-R107 WeakPolarHBondContact O-CG 3.36Å; V104-R107 PolarHBondContact O-N 2.89Å; V104-R107 VanDerWaalsContact O-N 3.1Å; V104-F120 HydrophobicContact CB-CE2 4.4Å; V104-F120 HydrophobicContact CB-CZ 4.28Å; V104-F120 HydrophobicContact CG1-CD1 4.32Å; V104-F120 HydrophobicContact CG1-CD2 4.25Å; V104-F120 HydrophobicContact CG1-CE1 3.72Å; V104-F120 HydrophobicContact CG1-CE2 3.65Å; V104-F120 HydrophobicContact CG1-CZ 3.36Å; V104-F120 HydrophobicContact CG2-CE2 4.04Å; V104-F120 HydrophobicContact CG2-CZ 3.92Å; V104-F146 HydrophobicContact CG2-CE2 4.37Å; V104-F146 HydrophobicContact CG2-CZ 3.82Å; V104-I150 HydrophobicContact CG2-CD1 3.6Å |
| 105 | E | 96 | Very high | 95.7 | Very high | 15 Ų | 15 | 31.1 Ų | 31.1 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -61 | -23.5 | 177.3 | 59.9 | -90.3 | -153.4 | 0 | 0 | 113.1 | Y14 N103 R107 I108 P114 I115 R117 F120 | Y14-E105 PolarHBondContact OH-OE2 3.25Å; N103-E105 VanDerWaalsContact C-N 3.28Å; N103-E105 HydrophobicContact CB-CG 4.25Å; N103-E105 WeakPolarHBondContact CB-OE1 3.39Å; N103-E105 VanDerWaalsContact CB-OE2 3.22Å; N103-E105 WeakPolarHBondContact CB-OE2 3.26Å; N103-E105 PolarHBondContact O-N 2.73Å; E105-R107 PolarHBondContact O-N 2.78Å; E105-R107 VanDerWaalsContact O-N 3.08Å; E105-I108 PolarHBondContact O-N 2.99Å; E105-P114 HydrophobicContact CG-CB 4.42Å; E105-I115 HydrophobicContact CB-CG1 4.17Å; E105-I115 WeakPolarHBondContact CB-O 3.49Å; E105-R117 WeakPolarHBondContact OE1-CG 3.35Å; E105-R117 IonicContact OE1-NE 2.7Å; E105-R117 PolarHBondContact OE1-NE 3.28Å; E105-F120 HydrophobicContact CB-CB 4.41Å; E105-F120 HydrophobicContact CB-CD2 4.18Å |
| 106 | E | 96.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -59.3 | -22.7 | 174.9 | -63.9 | 167.3 | -154.1 | 0 | 0 | 113.3 | S97 H100 L101 I102 N103 V104 I108 R109 P114 V521 | S97-E106 PolarHBondContact OG-O 2.98Å; H100-E106 HydrophobicContact CB-CB 4.03Å; L101-E106 WeakPolarHBondContact CB-OE2 3.45Å; L101-E106 PolarHBondContact N-OE2 2.59Å; I102-E106 WeakPolarHBondContact CA-OE1 3.22Å; I102-E106 WeakPolarHBondContact CB-OE1 3.17Å; I102-E106 PolarHBondContact N-OE1 3.27Å; I102-E106 PolarHBondContact N-OE2 2.78Å; N103-E106 PolarHBondContact N-OE1 2.82Å; N103-E106 WeakPolarHBondContact O-CB 3.37Å; N103-E106 VanDerWaalsContact O-CG 3.26Å; N103-E106 WeakPolarHBondContact O-CG 3.44Å; N103-E106 PolarHBondContact O-N 3.29Å; V104-E106 PolarHBondContact O-N 3.4Å; E106-I108 VanDerWaalsContact C-N 3.28Å; E106-I108 PolarHBondContact O-N 2.73Å; E106-R109 PolarHBondContact O-NE 3.31Å; E106-P114 HydrophobicContact CG-CG 4.35Å; E106-V521 HydrophobicContact CG-CB 4.38Å; E106-V521 HydrophobicContact CG-CG1 4Å; E106-V521 WeakPolarHBondContact OE2-CG1 3.48Å |
| 107 | R | 97.6 | Very high | 95.5 | Very high | 19 Ų | 19 | 40 Ų | 40 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -68.1 | -29.2 | 178 | -65.1 | -177.6 | 170.4 | -89.2 | 2.2 | 112.2 | L96 S97 S98 H100 V104 E105 I150 | L96-R107 CarbonylContact C-O 3.41Å; L96-R107 VanDerWaalsContact CA-O 3.23Å; L96-R107 WeakPolarHBondContact CA-O 3.37Å; L96-R107 HydrophobicContact CD1-CB 4.44Å; L96-R107 WeakPolarHBondContact CD1-O 3.46Å; S97-R107 PolarHBondContact N-O 2.9Å; S97-R107 PolarHBondContact O-NH1 2.87Å; S97-R107 WeakPolarHBondContact OG-CA 3.39Å; S98-R107 VanDerWaalsContact CB-NH1 3.28Å; S98-R107 PolarHBondContact OG-NH1 3.35Å; H100-R107 HydrophobicContact CB-CG 3.98Å; H100-R107 PolarHBondContact ND1-NE 2.87Å; V104-R107 VanDerWaalsContact O-CB 3.31Å; V104-R107 WeakPolarHBondContact O-CB 3.46Å; V104-R107 WeakPolarHBondContact O-CG 3.36Å; V104-R107 PolarHBondContact O-N 2.89Å; V104-R107 VanDerWaalsContact O-N 3.1Å; E105-R107 PolarHBondContact O-N 2.78Å; E105-R107 VanDerWaalsContact O-N 3.08Å; R107-I150 HydrophobicContact CB-CG2 4.15Å |
| 108 | I | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 108.4 | -176.5 | -52 | 176.8 | 0 | 0 | 0 | 107.5 | L96 E105 E106 I115 M153 A154 A157 F158 | L96-I108 HydrophobicContact CD1-CG1 4.28Å; E105-I108 PolarHBondContact O-N 2.99Å; E106-I108 VanDerWaalsContact C-N 3.28Å; E106-I108 PolarHBondContact O-N 2.73Å; I108-I115 HydrophobicContact CB-CD1 3.95Å; I108-I115 HydrophobicContact CB-CG1 4.13Å; I108-I115 HydrophobicContact CB-CG2 4.48Å; I108-I115 HydrophobicContact CD1-CD1 4.08Å; I108-I115 HydrophobicContact CG2-CD1 4.08Å; I108-I115 HydrophobicContact CG2-CG1 4.48Å; I108-I115 HydrophobicContact CG2-CG2 4.04Å; I108-I115 PolarHBondContact O-N 2.92Å; I108-M153 HydrophobicContact CD1-CB 3.85Å; I108-M153 HydrophobicContact CD1-CE 4.46Å; I108-A154 HydrophobicContact CD1-CB 4.21Å; I108-A154 HydrophobicContact CG1-CB 4.06Å; I108-A154 HydrophobicContact CG2-CB 4.3Å; I108-A157 HydrophobicContact CG2-CB 4.1Å; I108-F158 HydrophobicContact CG2-CE1 3.79Å; I108-F158 HydrophobicContact CG2-CZ 4.37Å |
| 109 | R | 98.5 | Very high | 95.8 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 137.9 | -178.8 | -62.5 | -176.8 | 174.9 | -112.2 | -1.1 | 111.5 | G94 F95 E106 G112 R113 V521 | G94-R109 CarbonylContact C-O 3.57Å; G94-R109 WeakPolarHBondContact CA-O 3.22Å; F95-R109 HydrophobicContact CB-CB 4.28Å; F95-R109 PolarHBondContact N-O 3.36Å; F95-R109 PolarHBondContact O-N 2.95Å; E106-R109 PolarHBondContact O-NE 3.31Å; R109-G112 PolarHBondContact NH1-O 2.98Å; R109-G112 VanDerWaalsContact NH1-O 3.11Å; R109-R113 CarbonylContact C-O 3.49Å; R109-R113 WeakPolarHBondContact CA-O 3.34Å; R109-R113 WeakPolarHBondContact CB-O 3.39Å; R109-V521 VanDerWaalsContact CZ-OXT 3.29Å; R109-V521 PolarHBondContact NH1-OXT 2.92Å; R109-V521 PolarHBondContact NH2-OXT 3.47Å |
| 110 | I | 98.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 11% | 0.113 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.2 | 169.3 | -54.1 | -66.3 | 0 | 0 | 0 | 107.2 | T93 G112 R113 I115 F158 E161 V163 | T93-I110 WeakPolarHBondContact O-CA 3.32Å; I110-G112 VanDerWaalsContact C-N 3.27Å; I110-G112 PolarHBondContact O-N 3.4Å; I110-R113 PolarHBondContact N-O 3.25Å; I110-R113 PolarHBondContact O-N 3.42Å; I110-R113 VanDerWaalsContact O-N 3.09Å; I110-I115 HydrophobicContact CG1-CG2 3.96Å; I110-F158 HydrophobicContact CD1-CD1 3.47Å; I110-F158 VanDerWaalsContact CD1-CD1 3.47Å; I110-F158 HydrophobicContact CD1-CE1 3.75Å; I110-E161 HydrophobicContact CD1-CB 4.24Å; I110-E161 HydrophobicContact CD1-CG 4.25Å; I110-E161 HydrophobicContact CG1-CG 4.31Å; I110-V163 HydrophobicContact CD1-CG1 3.91Å |
| 111 | N | 98 | Very high | 96.4 | Very high | 63 Ų | 63 | 42.6 Ų | 42.6 | 34% | 0.337 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 46.9 | -178.1 | -67.7 | -20.7 | 0 | 0 | 0 | 113.2 | R87 R92 T93 R113 | R87-N111 WeakPolarHBondContact CD-O 3.35Å; R87-N111 PolarHBondContact NE-O 3.32Å; R92-N111 WeakPolarHBondContact CA-OD1 3.32Å; R92-N111 WeakPolarHBondContact CG-OD1 3.46Å; T93-N111 PolarHBondContact N-OD1 3.02Å; T93-N111 PolarHBondContact O-N 3.1Å; T93-N111 WeakPolarHBondContact OG1-CA 3.26Å; T93-N111 PolarHBondContact OG1-N 3.46Å; N111-R113 PolarHBondContact O-N 3.04Å |
| 112 | G | 96.5 | Very high | 96.7 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E83 R109 I110 | E83-G112 WeakPolarHBondContact OE1-CA 3.46Å; E83-G112 PolarHBondContact OE1-N 3.35Å; R109-G112 PolarHBondContact NH1-O 2.98Å; R109-G112 VanDerWaalsContact NH1-O 3.11Å; I110-G112 VanDerWaalsContact C-N 3.27Å; I110-G112 PolarHBondContact O-N 3.4Å |
| 113 | R | 97 | Very high | 97 | Very high | 192 Ų | 192 | 43.7 Ų | 43.7 | 73% | 0.725 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 138 | -176.1 | -63.2 | -176.2 | -179.4 | -178.9 | 0.2 | 111.7 | R109 I110 N111 | R109-R113 CarbonylContact C-O 3.49Å; R109-R113 WeakPolarHBondContact CA-O 3.34Å; R109-R113 WeakPolarHBondContact CB-O 3.39Å; I110-R113 PolarHBondContact N-O 3.25Å; I110-R113 PolarHBondContact O-N 3.42Å; I110-R113 VanDerWaalsContact O-N 3.09Å; N111-R113 PolarHBondContact O-N 3.04Å |
| 114 | P | 97.4 | Very high | 97.2 | Very high | 38 Ų | 38 | 41.5 Ų | 41.5 | 25% | 0.247 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 145.6 | 168.4 | -24.7 | 36.4 | 0 | 0 | 0 | 111.5 | E105 E106 V521 | E105-P114 HydrophobicContact CG-CB 4.42Å; E106-P114 HydrophobicContact CG-CG 4.35Å; P114-V521 WeakPolarHBondContact CG-O 3.43Å |
| 115 | I | 97.9 | Very high | 97.3 | Very high | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 153.8 | 169.7 | 61.6 | 173.4 | 0 | 0 | 0 | 110.7 | E105 I108 I110 H119 F120 L123 | E105-I115 HydrophobicContact CB-CG1 4.17Å; E105-I115 WeakPolarHBondContact CB-O 3.49Å; I108-I115 HydrophobicContact CB-CD1 3.95Å; I108-I115 HydrophobicContact CB-CG1 4.13Å; I108-I115 HydrophobicContact CB-CG2 4.48Å; I108-I115 HydrophobicContact CD1-CD1 4.08Å; I108-I115 HydrophobicContact CG2-CD1 4.08Å; I108-I115 HydrophobicContact CG2-CG1 4.48Å; I108-I115 HydrophobicContact CG2-CG2 4.04Å; I108-I115 PolarHBondContact O-N 2.92Å; I110-I115 HydrophobicContact CG1-CG2 3.96Å; I115-H119 HydrophobicContact CB-CB 4.4Å; I115-F120 HydrophobicContact CD1-CB 3.94Å; I115-F120 HydrophobicContact CD1-CD2 4.01Å; I115-F120 HydrophobicContact CD1-CG 4.46Å; I115-F120 HydrophobicContact CG1-CB 4.29Å; I115-L123 HydrophobicContact CD1-CD1 3.81Å |
| 116 | S | 97.1 | Very high | 97.3 | Very high | 67 Ų | 67 | 46 Ų | 46 | 47% | 0.469 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -67.8 | 157.7 | 178.2 | 71.5 | 0 | 0 | 0 | 0 | 111.4 | D118 H119 F120 | S116-D118 VanDerWaalsContact C-N 3.25Å; S116-D118 PolarHBondContact O-N 3.27Å; S116-H119 PolarHBondContact O-N 3.07Å; S116-H119 VanDerWaalsContact OG-CB 3.31Å; S116-H119 WeakPolarHBondContact OG-CB 3.38Å; S116-H119 PolarHBondContact OG-N 2.64Å; S116-H119 VanDerWaalsContact OG-N 3.09Å; S116-F120 WeakPolarHBondContact O-CB 3.49Å; S116-F120 PolarHBondContact O-N 3.44Å |
| 117 | R | 96.3 | Very high | 97.4 | Very high | 125 Ų | 125 | 45.6 Ų | 45.6 | 47% | 0.472 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.7 | -39.9 | 174.1 | -70.6 | -176.3 | 175.5 | 169.2 | -2.8 | 112.4 | Y14 N103 E105 F120 A121 | Y14-R117 HydrophobicContact CD1-CB 4.29Å; Y14-R117 HydrophobicContact CD1-CG 4.25Å; Y14-R117 HydrophobicContact CD2-CB 3.59Å; Y14-R117 HydrophobicContact CD2-CG 3.96Å; Y14-R117 VanDerWaalsContact CD2-O 3.28Å; Y14-R117 WeakPolarHBondContact CD2-O 3.16Å; Y14-R117 HydrophobicContact CE1-CG 4.06Å; Y14-R117 HydrophobicContact CE2-CB 3.86Å; Y14-R117 HydrophobicContact CE2-CG 3.71Å; Y14-R117 HydrophobicContact CG-CB 3.8Å; Y14-R117 HydrophobicContact CG-CG 4.2Å; N103-R117 PolarHBondContact OD1-NH2 3.07Å; E105-R117 WeakPolarHBondContact OE1-CG 3.35Å; E105-R117 IonicContact OE1-NE 2.7Å; E105-R117 PolarHBondContact OE1-NE 3.28Å; R117-F120 PolarHBondContact O-N 3.17Å; R117-A121 WeakPolarHBondContact O-CB 3.11Å; R117-A121 PolarHBondContact O-N 3.35Å |
| 118 | D | 96.5 | Very high | 97.3 | Very high | 128 Ų | 128 | 46.6 Ų | 46.6 | 68% | 0.684 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -67.7 | -41.7 | 177.9 | -63 | -25 | 0 | 0 | 0 | 111.6 | S116 A121 S122 | S116-D118 VanDerWaalsContact C-N 3.25Å; S116-D118 PolarHBondContact O-N 3.27Å; D118-A121 PolarHBondContact O-N 3.39Å; D118-S122 WeakPolarHBondContact O-CB 3.43Å; D118-S122 PolarHBondContact O-N 2.59Å |
| 119 | H | 97.3 | Very high | 97.1 | Very high | 47 Ų | 47 | 48 Ų | 48 | 22% | 0.218 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 175.4 | -169.5 | 178.8 | 0 | 0 | 0 | 110.7 | I115 S116 A121 S122 L123 E161 | I115-H119 HydrophobicContact CB-CB 4.4Å; S116-H119 PolarHBondContact O-N 3.07Å; S116-H119 VanDerWaalsContact OG-CB 3.31Å; S116-H119 WeakPolarHBondContact OG-CB 3.38Å; S116-H119 PolarHBondContact OG-N 2.64Å; S116-H119 VanDerWaalsContact OG-N 3.09Å; H119-A121 PolarHBondContact O-N 3.07Å; H119-S122 PolarHBondContact O-N 2.82Å; H119-L123 WeakPolarHBondContact O-CB 3.18Å; H119-L123 WeakPolarHBondContact O-CG 3.34Å; H119-L123 PolarHBondContact O-N 3.2Å; H119-E161 IonicContact CE1-OE1 2.72Å; H119-E161 PolarHBondContact CE1-OE1 3.33Å |
| 120 | F | 98 | Very high | 97 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.6 | -48 | 174.8 | -174.4 | -81.7 | 0 | 0 | 0 | 111.8 | Y14 I18 L21 V104 E105 I115 S116 R117 L123 F124 I150 M153 | Y14-F120 HydrophobicContact CD2-CD1 4.25Å; Y14-F120 HydrophobicContact CE2-CB 4.43Å; Y14-F120 HydrophobicContact CE2-CD1 4.01Å; Y14-F120 HydrophobicContact CE2-CG 4.38Å; I18-F120 HydrophobicContact CD1-CD1 4.35Å; I18-F120 HydrophobicContact CD1-CE1 3.85Å; L21-F120 HydrophobicContact CD2-CE1 4.15Å; L21-F120 HydrophobicContact CD2-CZ 3.74Å; V104-F120 HydrophobicContact CB-CE2 4.4Å; V104-F120 HydrophobicContact CB-CZ 4.28Å; V104-F120 HydrophobicContact CG1-CD1 4.32Å; V104-F120 HydrophobicContact CG1-CD2 4.25Å; V104-F120 HydrophobicContact CG1-CE1 3.72Å; V104-F120 HydrophobicContact CG1-CE2 3.65Å; V104-F120 HydrophobicContact CG1-CZ 3.36Å; V104-F120 HydrophobicContact CG2-CE2 4.04Å; V104-F120 HydrophobicContact CG2-CZ 3.92Å; E105-F120 HydrophobicContact CB-CB 4.41Å; E105-F120 HydrophobicContact CB-CD2 4.18Å; I115-F120 HydrophobicContact CD1-CB 3.94Å; I115-F120 HydrophobicContact CD1-CD2 4.01Å; I115-F120 HydrophobicContact CD1-CG 4.46Å; I115-F120 HydrophobicContact CG1-CB 4.29Å; S116-F120 WeakPolarHBondContact O-CB 3.49Å; S116-F120 PolarHBondContact O-N 3.44Å; R117-F120 PolarHBondContact O-N 3.17Å; F120-L123 PolarHBondContact O-N 3.16Å; F120-F124 HydrophobicContact CE1-CB 4.48Å; F120-F124 WeakPolarHBondContact O-CB 3.25Å; F120-F124 PolarHBondContact O-N 3.34Å; F120-I150 HydrophobicContact CE2-CD1 3.96Å; F120-I150 HydrophobicContact CZ-CD1 3.96Å; F120-M153 HydrophobicContact CD1-CE 4.11Å; F120-M153 HydrophobicContact CD2-CE 3.72Å; F120-M153 HydrophobicContact CE1-CE 3.92Å; F120-M153 HydrophobicContact CE2-CE 3.51Å; F120-M153 HydrophobicContact CG-CE 4Å; F120-M153 HydrophobicContact CZ-CE 3.61Å; F120-M153 HydrophobicContact CZ-SD 4.4Å; F120-M153 WeakPolarHBondContact O-CE 3.31Å |
| 121 | A | 97.2 | Very high | 96.9 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 5% | 0.05 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.6 | -46 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A17 R117 D118 H119 F124 W125 | A17-A121 HydrophobicContact CB-CB 4.28Å; R117-A121 WeakPolarHBondContact O-CB 3.11Å; R117-A121 PolarHBondContact O-N 3.35Å; D118-A121 PolarHBondContact O-N 3.39Å; H119-A121 PolarHBondContact O-N 3.07Å; A121-F124 PolarHBondContact O-N 3.29Å; A121-W125 PolarHBondContact O-N 3.26Å |
| 122 | S | 96.9 | Very high | 96.8 | Very high | 79 Ų | 79 | 48.3 Ų | 48.3 | 55% | 0.552 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -57.6 | -50.9 | 177 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | D118 H119 F124 W125 D126 | D118-S122 WeakPolarHBondContact O-CB 3.43Å; D118-S122 PolarHBondContact O-N 2.59Å; H119-S122 PolarHBondContact O-N 2.82Å; S122-F124 PolarHBondContact O-N 2.94Å; S122-W125 PolarHBondContact O-N 2.93Å; S122-D126 WeakPolarHBondContact O-CB 3.34Å; S122-D126 PolarHBondContact O-N 3.47Å |
| 123 | L | 97.3 | Very high | 96.7 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 177.2 | -77.3 | 167 | 0 | 0 | 0 | 111.8 | I115 H119 F120 W125 D126 V127 M153 K156 A157 | I115-L123 HydrophobicContact CD1-CD1 3.81Å; H119-L123 WeakPolarHBondContact O-CB 3.18Å; H119-L123 WeakPolarHBondContact O-CG 3.34Å; H119-L123 PolarHBondContact O-N 3.2Å; F120-L123 PolarHBondContact O-N 3.16Å; L123-W125 PolarHBondContact O-N 3.08Å; L123-D126 PolarHBondContact O-N 3Å; L123-V127 WeakPolarHBondContact O-CB 3.27Å; L123-V127 VanDerWaalsContact O-CG2 3.27Å; L123-V127 WeakPolarHBondContact O-CG2 3.32Å; L123-V127 PolarHBondContact O-N 3.13Å; L123-M153 HydrophobicContact CB-CE 3.9Å; L123-M153 HydrophobicContact CB-CG 4.32Å; L123-K156 HydrophobicContact CD2-CB 4.22Å; L123-K156 HydrophobicContact CD2-CD 4.15Å; L123-K156 HydrophobicContact CD2-CG 3.85Å; L123-A157 HydrophobicContact CD1-CB 3.76Å |
| 124 | F | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -46.6 | -179.3 | 174.8 | -103.2 | 0 | 0 | 0 | 111.6 | A17 E20 L21 F120 A121 S122 R128 Y149 M153 | A17-F124 HydrophobicContact CB-CB 4.33Å; A17-F124 HydrophobicContact CB-CD1 3.53Å; A17-F124 HydrophobicContact CB-CE1 4.17Å; A17-F124 HydrophobicContact CB-CG 4.16Å; A17-F124 WeakPolarHBondContact O-CE1 3.43Å; E20-F124 HydrophobicContact CB-CE1 3.89Å; E20-F124 HydrophobicContact CB-CZ 3.96Å; E20-F124 HydrophobicContact CG-CE1 4.05Å; E20-F124 HydrophobicContact CG-CZ 3.94Å; L21-F124 HydrophobicContact CB-CD2 4.24Å; L21-F124 HydrophobicContact CB-CE2 3.65Å; L21-F124 HydrophobicContact CB-CZ 3.89Å; L21-F124 HydrophobicContact CD1-CD2 4.27Å; L21-F124 HydrophobicContact CD1-CE2 3.8Å; L21-F124 HydrophobicContact CG-CE2 4.24Å; F120-F124 HydrophobicContact CE1-CB 4.48Å; F120-F124 WeakPolarHBondContact O-CB 3.25Å; F120-F124 PolarHBondContact O-N 3.34Å; A121-F124 PolarHBondContact O-N 3.29Å; S122-F124 PolarHBondContact O-N 2.94Å; F124-R128 HydrophobicContact CE1-CB 4.46Å; F124-R128 HydrophobicContact CE2-CB 4.37Å; F124-R128 HydrophobicContact CZ-CB 4.29Å; F124-R128 HydrophobicContact CZ-CG 4.32Å; F124-R128 WeakPolarHBondContact O-CB 3.34Å; F124-R128 PolarHBondContact O-N 3.44Å; F124-Y149 HydrophobicContact CD2-CD1 4.49Å; F124-Y149 HydrophobicContact CE2-CD1 4.31Å; F124-Y149 HydrophobicContact CE2-CE1 4.48Å; F124-Y149 HydrophobicContact CE2-CG 4.4Å; F124-M153 HydrophobicContact CB-CE 3.85Å; F124-M153 HydrophobicContact CB-SD 3.93Å; F124-M153 HydrophobicContact CD2-SD 4.03Å |
| 125 | W | 97.1 | Very high | 96.3 | Very high | 41 Ų | 41 | 45.1 Ų | 45.1 | 16% | 0.155 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.5 | -35.9 | -177.5 | -70 | 124 | 0 | 0 | 0 | 113.1 | R12 S13 D16 A17 E20 A121 S122 L123 G129 | R12-W125 HydrophobicContact CB-CD2 3.82Å; R12-W125 HydrophobicContact CB-CG 3.99Å; R12-W125 HydrophobicContact CB-CZ2 3.7Å; R12-W125 VanDerWaalsContact CD-CE3 3.43Å; R12-W125 HydrophobicContact CG-CD2 4.26Å; R12-W125 HydrophobicContact CG-CZ2 4.3Å; R12-W125 PolarHBondContact O-NE1 3.49Å; S13-W125 PolarHBondContact O-NE1 3.25Å; D16-W125 HydrophobicContact CB-CH2 4.33Å; D16-W125 HydrophobicContact CB-CZ2 3.66Å; A17-W125 HydrophobicContact CB-CZ2 4.13Å; E20-W125 HydrophobicContact CB-CH2 3.99Å; E20-W125 HydrophobicContact CB-CZ3 4.47Å; E20-W125 HydrophobicContact CG-CH2 4.2Å; E20-W125 HydrophobicContact CG-CZ3 4.23Å; A121-W125 PolarHBondContact O-N 3.26Å; S122-W125 PolarHBondContact O-N 2.93Å; L123-W125 PolarHBondContact O-N 3.08Å; W125-G129 PolarHBondContact O-N 3.19Å |
| 126 | D | 96.1 | Very high | 96.1 | Very high | 79 Ų | 79 | 51 Ų | 51 | 42% | 0.422 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65 | -54.6 | 173.9 | -174.6 | 28.5 | 0 | 0 | 0 | 111.5 | S122 L123 R128 G129 T130 K156 | S122-D126 WeakPolarHBondContact O-CB 3.34Å; S122-D126 PolarHBondContact O-N 3.47Å; L123-D126 PolarHBondContact O-N 3Å; D126-R128 PolarHBondContact O-N 3.44Å; D126-G129 PolarHBondContact O-N 3.11Å; D126-T130 PolarHBondContact O-N 2.63Å; D126-T130 PolarHBondContact O-OG1 2.82Å; D126-T130 VanDerWaalsContact O-OG1 3.11Å; D126-K156 WeakPolarHBondContact OD2-CE 3.43Å; D126-K156 IonicContact OD2-NZ 3.88Å |
| 127 | V | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.2 | -48.7 | 179.3 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | V54 L123 G129 T130 L131 Y149 V152 M153 K156 | V54-V127 HydrophobicContact CG1-CG1 4.23Å; V54-V127 HydrophobicContact CG1-CG2 4.49Å; L123-V127 WeakPolarHBondContact O-CB 3.27Å; L123-V127 VanDerWaalsContact O-CG2 3.27Å; L123-V127 WeakPolarHBondContact O-CG2 3.32Å; L123-V127 PolarHBondContact O-N 3.13Å; V127-G129 PolarHBondContact O-N 2.89Å; V127-T130 PolarHBondContact O-N 2.99Å; V127-L131 HydrophobicContact CG1-CD1 3.63Å; V127-L131 HydrophobicContact CG1-CG 4.3Å; V127-L131 WeakPolarHBondContact O-CB 3.39Å; V127-L131 VanDerWaalsContact O-CG 3.26Å; V127-L131 WeakPolarHBondContact O-CG 3.45Å; V127-L131 PolarHBondContact O-N 3.46Å; V127-Y149 HydrophobicContact CG1-CD1 3.95Å; V127-Y149 HydrophobicContact CG1-CE1 4.14Å; V127-V152 HydrophobicContact CG1-CB 4.32Å; V127-V152 HydrophobicContact CG1-CG1 3.78Å; V127-V152 HydrophobicContact CG2-CG1 4.2Å; V127-M153 HydrophobicContact CB-CG 4.34Å; V127-M153 HydrophobicContact CG2-CG 4.06Å; V127-K156 HydrophobicContact CG2-CD 4.06Å |
| 128 | R | 96.1 | Very high | 95.4 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 15% | 0.147 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -42.2 | 179.7 | -173.1 | -166 | 173.9 | -70.6 | 5 | 111.7 | E20 F124 D126 T130 L131 L132 Y149 | E20-R128 IonicContact OE1-CZ 3.81Å; E20-R128 IonicContact OE1-NE 2.69Å; E20-R128 PolarHBondContact OE1-NE 3.05Å; E20-R128 VanDerWaalsContact OE1-NE 3.15Å; E20-R128 IonicContact OE1-NH2 3.56Å; E20-R128 PolarHBondContact OE1-NH2 3.01Å; F124-R128 HydrophobicContact CE1-CB 4.46Å; F124-R128 HydrophobicContact CE2-CB 4.37Å; F124-R128 HydrophobicContact CZ-CB 4.29Å; F124-R128 HydrophobicContact CZ-CG 4.32Å; F124-R128 WeakPolarHBondContact O-CB 3.34Å; F124-R128 PolarHBondContact O-N 3.44Å; D126-R128 PolarHBondContact O-N 3.44Å; R128-T130 VanDerWaalsContact C-N 3.34Å; R128-L131 PolarHBondContact O-N 3.28Å; R128-L132 VanDerWaalsContact O-CB 3.24Å; R128-L132 WeakPolarHBondContact O-CB 3.35Å; R128-L132 PolarHBondContact O-N 2.69Å; R128-Y149 HydrophobicContact CB-CE1 4.02Å; R128-Y149 HydrophobicContact CG-CE1 4.32Å |
| 129 | G | 95 | Very high | 94.7 | Very high | 30 Ų | 30 | 49.2 Ų | 49.2 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.4 | -49.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | W125 D126 V127 L132 E133 | W125-G129 PolarHBondContact O-N 3.19Å; D126-G129 PolarHBondContact O-N 3.11Å; V127-G129 PolarHBondContact O-N 2.89Å; G129-L132 PolarHBondContact O-N 3.41Å; G129-E133 PolarHBondContact O-N 2.99Å |
| 130 | T | 96.5 | Very high | 94.1 | Very high | 52 Ų | 52 | 54.8 Ų | 54.8 | 32% | 0.319 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 179.3 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | A53 V54 D126 V127 R128 L132 E133 F134 | A53-T130 VanDerWaalsContact O-CG2 3.26Å; A53-T130 WeakPolarHBondContact O-CG2 3.37Å; V54-T130 HydrophobicContact CG1-CG2 4.18Å; D126-T130 PolarHBondContact O-N 2.63Å; D126-T130 PolarHBondContact O-OG1 2.82Å; D126-T130 VanDerWaalsContact O-OG1 3.11Å; V127-T130 PolarHBondContact O-N 2.99Å; R128-T130 VanDerWaalsContact C-N 3.34Å; T130-L132 VanDerWaalsContact C-N 3.33Å; T130-L132 PolarHBondContact O-N 3.37Å; T130-E133 PolarHBondContact O-N 3.45Å; T130-F134 WeakPolarHBondContact O-CB 3.34Å; T130-F134 PolarHBondContact O-N 3.43Å |
| 131 | L | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.2 | -29.2 | -178.4 | -66.6 | 179.7 | 0 | 0 | 0 | 113.2 | Y50 A53 V54 V127 R128 F134 T135 P144 Y149 | Y50-L131 HydrophobicContact CD1-CD1 4.33Å; Y50-L131 HydrophobicContact CD1-CD2 3.9Å; Y50-L131 HydrophobicContact CG-CD1 4.33Å; Y50-L131 HydrophobicContact CG-CD2 4.38Å; A53-L131 HydrophobicContact CB-CD2 3.65Å; V54-L131 HydrophobicContact CG1-CD1 4.34Å; V54-L131 HydrophobicContact CG1-CD2 3.89Å; V54-L131 HydrophobicContact CG1-CG 3.87Å; V127-L131 HydrophobicContact CG1-CD1 3.63Å; V127-L131 HydrophobicContact CG1-CG 4.3Å; V127-L131 WeakPolarHBondContact O-CB 3.39Å; V127-L131 VanDerWaalsContact O-CG 3.26Å; V127-L131 WeakPolarHBondContact O-CG 3.45Å; V127-L131 PolarHBondContact O-N 3.46Å; R128-L131 PolarHBondContact O-N 3.28Å; L131-F134 HydrophobicContact CD2-CD1 4.43Å; L131-T135 WeakPolarHBondContact O-CB 3.26Å; L131-T135 VanDerWaalsContact O-CG2 3.24Å; L131-T135 WeakPolarHBondContact O-CG2 3.38Å; L131-T135 PolarHBondContact O-N 3.5Å; L131-T135 PolarHBondContact O-OG1 2.86Å; L131-P144 HydrophobicContact CB-CG 4.34Å; L131-P144 HydrophobicContact CD1-CG 3.49Å; L131-P144 VanDerWaalsContact CD1-CG 3.49Å; L131-P144 HydrophobicContact CG-CG 4.48Å; L131-Y149 HydrophobicContact CD1-CE1 4.19Å |
| 132 | L | 94.5 | Very high | 93.3 | Very high | 53 Ų | 53 | 59 Ų | 59 | 28% | 0.277 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 173 | 179.3 | 63.6 | 0 | 0 | 0 | 111.6 | R128 G129 T130 T135 K136 M143 | R128-L132 VanDerWaalsContact O-CB 3.24Å; R128-L132 WeakPolarHBondContact O-CB 3.35Å; R128-L132 PolarHBondContact O-N 2.69Å; G129-L132 PolarHBondContact O-N 3.41Å; T130-L132 VanDerWaalsContact C-N 3.33Å; T130-L132 PolarHBondContact O-N 3.37Å; L132-T135 PolarHBondContact O-OG1 3.38Å; L132-K136 WeakPolarHBondContact O-CG 3.44Å; L132-K136 PolarHBondContact O-N 3.23Å; L132-M143 HydrophobicContact CB-CE 4.48Å; L132-M143 HydrophobicContact CD1-CE 4.34Å; L132-M143 HydrophobicContact CD1-SD 4.25Å |
| 133 | E | 94.5 | Very high | 93 | Very high | 108 Ų | 108 | 58.3 Ų | 58.3 | 51% | 0.505 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.5 | -41.1 | 177.1 | -65.4 | -52.6 | 124.5 | 0 | 0 | 111.6 | G129 T130 T135 K136 | G129-E133 PolarHBondContact O-N 2.99Å; T130-E133 PolarHBondContact O-N 3.45Å; E133-T135 PolarHBondContact O-N 2.97Å; E133-K136 PolarHBondContact O-N 2.92Å; E133-K136 IonicContact OE1-NZ 3.72Å; E133-K136 PolarHBondContact OE1-NZ 3.44Å; E133-K136 IonicContact OE2-NZ 3.34Å |
| 134 | F | 95 | Very high | 92.8 | Very high | 52 Ų | 52 | 58.2 Ų | 58.2 | 23% | 0.228 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56 | -53.8 | 175.5 | 173.6 | -107.5 | 0 | 0 | 0 | 111.8 | V49 A53 T130 L131 K136 T137 S138 I141 | V49-F134 HydrophobicContact CG1-CE1 3.87Å; V49-F134 HydrophobicContact CG1-CZ 3.72Å; A53-F134 HydrophobicContact CB-CB 4.26Å; A53-F134 HydrophobicContact CB-CD1 3.71Å; A53-F134 HydrophobicContact CB-CD2 3.73Å; A53-F134 HydrophobicContact CB-CE1 3.89Å; A53-F134 HydrophobicContact CB-CE2 3.91Å; A53-F134 HydrophobicContact CB-CG 3.62Å; A53-F134 HydrophobicContact CB-CZ 4Å; T130-F134 WeakPolarHBondContact O-CB 3.34Å; T130-F134 PolarHBondContact O-N 3.43Å; L131-F134 HydrophobicContact CD2-CD1 4.43Å; F134-K136 VanDerWaalsContact C-N 3.27Å; F134-K136 PolarHBondContact O-N 3.2Å; F134-T137 PolarHBondContact O-N 3.38Å; F134-T137 PolarHBondContact O-OG1 3.45Å; F134-S138 WeakPolarHBondContact CD2-OG 3.49Å; F134-S138 WeakPolarHBondContact CE2-OG 3.45Å; F134-S138 VanDerWaalsContact CZ-OG 3.29Å; F134-S138 WeakPolarHBondContact CZ-OG 3.29Å; F134-S138 WeakPolarHBondContact O-CB 3.41Å; F134-S138 PolarHBondContact O-N 2.79Å; F134-S138 PolarHBondContact O-OG 3.47Å; F134-I141 HydrophobicContact CE1-CB 4.45Å; F134-I141 HydrophobicContact CE1-CG2 4.02Å |
| 135 | T | 92.4 | Very high | 92.5 | Very high | 24 Ų | 24 | 59.8 Ų | 59.8 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.7 | -23 | -177 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | L131 L132 E133 T137 I141 M143 | L131-T135 WeakPolarHBondContact O-CB 3.26Å; L131-T135 VanDerWaalsContact O-CG2 3.24Å; L131-T135 WeakPolarHBondContact O-CG2 3.38Å; L131-T135 PolarHBondContact O-N 3.5Å; L131-T135 PolarHBondContact O-OG1 2.86Å; L132-T135 PolarHBondContact O-OG1 3.38Å; E133-T135 PolarHBondContact O-N 2.97Å; T135-T137 VanDerWaalsContact C-N 3.26Å; T135-T137 PolarHBondContact O-N 2.98Å; T135-I141 HydrophobicContact CG2-CG2 4.42Å; T135-M143 HydrophobicContact CG2-SD 3.97Å; T135-M143 PolarHBondContact OG1-SD 2.89Å |
| 136 | K | 92.6 | Very high | 92.3 | Very high | 133 Ų | 133 | 59 Ų | 59 | 58% | 0.578 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66 | -30.4 | 170.5 | -74 | 169.9 | -176.6 | 171.5 | 0 | 112.7 | L132 E133 F134 | L132-K136 WeakPolarHBondContact O-CG 3.44Å; L132-K136 PolarHBondContact O-N 3.23Å; E133-K136 PolarHBondContact O-N 2.92Å; E133-K136 IonicContact OE1-NZ 3.72Å; E133-K136 PolarHBondContact OE1-NZ 3.44Å; E133-K136 IonicContact OE2-NZ 3.34Å; F134-K136 VanDerWaalsContact C-N 3.27Å; F134-K136 PolarHBondContact O-N 3.2Å |
| 137 | T | 90.8 | Very high | 92.1 | Very high | 113 Ų | 113 | 57.8 Ų | 57.8 | 69% | 0.693 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -102 | -20.8 | -176.2 | 62 | 0 | 0 | 0 | 0 | 113.3 | F134 T135 | F134-T137 PolarHBondContact O-N 3.38Å; F134-T137 PolarHBondContact O-OG1 3.45Å; T135-T137 VanDerWaalsContact C-N 3.26Å; T135-T137 PolarHBondContact O-N 2.98Å |
| 138 | S | 88.1 | Confident | 92 | Very high | 28 Ų | 28 | 58.4 Ų | 58.4 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -94.2 | 102.7 | -179.6 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | F134 N140 I141 | F134-S138 WeakPolarHBondContact CD2-OG 3.49Å; F134-S138 WeakPolarHBondContact CE2-OG 3.45Å; F134-S138 VanDerWaalsContact CZ-OG 3.29Å; F134-S138 WeakPolarHBondContact CZ-OG 3.29Å; F134-S138 WeakPolarHBondContact O-CB 3.41Å; F134-S138 PolarHBondContact O-N 2.79Å; F134-S138 PolarHBondContact O-OG 3.47Å; S138-N140 PolarHBondContact O-N 3.46Å; S138-I141 PolarHBondContact O-N 2.65Å |
| 139 | N | 81.8 | Confident | 92 | Very high | 143 Ų | 143 | 57 Ų | 57 | 77% | 0.765 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 136.7 | 174.3 | -74.2 | -16.8 | 0 | 0 | 0 | 111 | I141 | N139-I141 VanDerWaalsContact C-N 3.25Å; N139-I141 PolarHBondContact O-N 2.91Å |
| 140 | N | 84.4 | Confident | 92.1 | Very high | 164 Ų | 164 | 55.6 Ų | 55.6 | 88% | 0.877 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 5.7 | 176 | -53.8 | -38.5 | 0 | 0 | 0 | 117.2 | S138 P142 | S138-N140 PolarHBondContact O-N 3.46Å; N140-P142 WeakPolarHBondContact O-CD 3.25Å |
| 141 | I | 88.9 | Confident | 92.2 | Very high | 43 Ų | 43 | 53.1 Ų | 53.1 | 22% | 0.221 | 28% | 0.28 | C | S | . | . | trans | -96 | 113.9 | 172.1 | -54.6 | -60 | 0 | 0 | 0 | 109.5 | L46 V49 Y50 F134 T135 S138 N139 | L46-I141 HydrophobicContact CD2-CD1 4.09Å; L46-I141 HydrophobicContact CD2-CG2 4.44Å; V49-I141 HydrophobicContact CG1-CD1 4.47Å; Y50-I141 HydrophobicContact CE1-CG2 3.73Å; F134-I141 HydrophobicContact CE1-CB 4.45Å; F134-I141 HydrophobicContact CE1-CG2 4.02Å; T135-I141 HydrophobicContact CG2-CG2 4.42Å; S138-I141 PolarHBondContact O-N 2.65Å; N139-I141 VanDerWaalsContact C-N 3.25Å; N139-I141 PolarHBondContact O-N 2.91Å | ||
| 142 | P | 90 | Very high | 92.3 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 34% | 0.338 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 164.8 | 180 | 31.9 | -35.2 | 0 | 0 | 0 | 111.3 | L46 Y50 N140 | L46-P142 HydrophobicContact CD1-CG 4Å; Y50-P142 PolarHBondContact OH-O 3.21Å; N140-P142 WeakPolarHBondContact O-CD 3.25Å |
| 143 | M | 91.6 | Very high | 92.4 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 31% | 0.31 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 142.5 | 165.7 | -77.2 | -63.5 | -73 | 0 | 0 | 110.8 | L132 T135 Y149 | L132-M143 HydrophobicContact CB-CE 4.48Å; L132-M143 HydrophobicContact CD1-CE 4.34Å; L132-M143 HydrophobicContact CD1-SD 4.25Å; T135-M143 HydrophobicContact CG2-SD 3.97Å; T135-M143 PolarHBondContact OG1-SD 2.89Å; M143-Y149 WeakPolarHBondContact CE-OH 3.37Å |
| 144 | P | 91.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 145.6 | -178.4 | -18.5 | 27 | 0 | 0 | 0 | 112.7 | Y50 L131 H148 Y149 | Y50-P144 HydrophobicContact CD1-CG 4.09Å; Y50-P144 HydrophobicContact CD2-CB 4.18Å; Y50-P144 HydrophobicContact CD2-CG 4.19Å; Y50-P144 HydrophobicContact CE1-CG 3.87Å; Y50-P144 HydrophobicContact CE2-CB 3.83Å; Y50-P144 HydrophobicContact CE2-CG 4Å; Y50-P144 HydrophobicContact CG-CG 4.24Å; L131-P144 HydrophobicContact CB-CG 4.34Å; L131-P144 HydrophobicContact CD1-CG 3.49Å; L131-P144 VanDerWaalsContact CD1-CG 3.49Å; L131-P144 HydrophobicContact CG-CG 4.48Å; P144-H148 HydrophobicContact CB-CB 3.71Å; P144-Y149 HydrophobicContact CB-CD1 4.46Å; P144-Y149 HydrophobicContact CB-CD2 3.9Å; P144-Y149 HydrophobicContact CB-CE1 4.35Å; P144-Y149 HydrophobicContact CB-CE2 3.79Å; P144-Y149 HydrophobicContact CB-CG 4.23Å; P144-Y149 HydrophobicContact CG-CE1 4.05Å; P144-Y149 HydrophobicContact CG-CE2 4.08Å; P144-Y149 WeakPolarHBondContact O-CE2 3.26Å |
| 145 | S | 91.2 | Very high | 92.8 | Very high | 33 Ų | 33 | 43 Ų | 43 | 23% | 0.231 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -75.4 | 169.1 | 166.4 | 77.4 | 0 | 0 | 0 | 0 | 111.2 | L147 H148 Y149 | S145-L147 VanDerWaalsContact C-N 3.27Å; S145-L147 PolarHBondContact O-N 2.72Å; S145-H148 WeakPolarHBondContact O-CB 3.41Å; S145-H148 PolarHBondContact O-N 3.4Å; S145-H148 PolarHBondContact OG-ND1 3.2Å; S145-Y149 PolarHBondContact O-N 3.23Å |
| 146 | F | 92.8 | Very high | 93.1 | Very high | 24 Ų | 24 | 43.3 Ų | 43.3 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -47.1 | -48.9 | 177.3 | 178.2 | -89.9 | 0 | 0 | 0 | 113 | L21 S24 I25 V104 Y149 I150 | L21-F146 HydrophobicContact CD1-CD2 3.86Å; L21-F146 HydrophobicContact CD1-CE2 4.27Å; L21-F146 HydrophobicContact CD2-CD2 4.1Å; L21-F146 HydrophobicContact CD2-CE2 3.65Å; L21-F146 HydrophobicContact CD2-CZ 4.44Å; L21-F146 HydrophobicContact CG-CD2 3.66Å; L21-F146 HydrophobicContact CG-CE2 3.7Å; S24-F146 WeakPolarHBondContact OG-CA 3.27Å; S24-F146 WeakPolarHBondContact OG-CB 3.4Å; S24-F146 PolarHBondContact OG-N 3.35Å; I25-F146 HydrophobicContact CD1-CD2 3.71Å; I25-F146 HydrophobicContact CD1-CE2 4.1Å; I25-F146 HydrophobicContact CD1-CG 4.15Å; I25-F146 HydrophobicContact CG1-CB 3.71Å; I25-F146 HydrophobicContact CG1-CD2 3.68Å; I25-F146 HydrophobicContact CG1-CG 3.82Å; V104-F146 HydrophobicContact CG2-CE2 4.37Å; V104-F146 HydrophobicContact CG2-CZ 3.82Å; F146-Y149 WeakPolarHBondContact O-CB 3.32Å; F146-Y149 PolarHBondContact O-N 3.2Å; F146-I150 HydrophobicContact CD1-CG1 4.25Å; F146-I150 HydrophobicContact CE1-CG1 3.83Å; F146-I150 HydrophobicContact CZ-CD1 4.31Å; F146-I150 HydrophobicContact CZ-CG1 4.04Å; F146-I150 WeakPolarHBondContact O-CG1 3.17Å; F146-I150 PolarHBondContact O-N 3.29Å; F146-I150 VanDerWaalsContact O-N 3.1Å |
| 147 | L | 93 | Very high | 93.4 | Very high | 54 Ų | 54 | 37 Ų | 37 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -70.8 | -32.8 | -177.4 | -70.3 | 178 | 0 | 0 | 0 | 112.8 | S145 I150 F151 H178 | S145-L147 VanDerWaalsContact C-N 3.27Å; S145-L147 PolarHBondContact O-N 2.72Å; L147-I150 PolarHBondContact O-N 3.49Å; L147-F151 WeakPolarHBondContact O-CB 3.44Å; L147-F151 PolarHBondContact O-N 2.85Å; L147-H178 PolarHBondContact O-CD2 3.06Å; L147-H178 VanDerWaalsContact O-CD2 3.25Å |
| 148 | H | 94.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 31.6 Ų | 31.6 | 6% | 0.06 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.1 | -42.6 | 173 | -69.6 | 94.1 | 0 | 0 | 0 | 111.1 | R43 S47 Y50 P144 S145 F151 V152 | R43-H148 PolarHBondContact O-NE2 2.75Å; S47-H148 PolarHBondContact OG-CD2 2.91Å; Y50-H148 HydrophobicContact CD2-CB 3.96Å; Y50-H148 AromaticContact CD2-CD2 3.84Å; Y50-H148 HydrophobicContact CE2-CB 3.94Å; Y50-H148 AromaticContact CE2-CD2 3.69Å; Y50-H148 AromaticContact CE2-CG 3.82Å; P144-H148 HydrophobicContact CB-CB 3.71Å; S145-H148 WeakPolarHBondContact O-CB 3.41Å; S145-H148 PolarHBondContact O-N 3.4Å; S145-H148 PolarHBondContact OG-ND1 3.2Å; H148-F151 PolarHBondContact O-N 3.1Å; H148-V152 VanDerWaalsContact O-CG2 3.26Å; H148-V152 WeakPolarHBondContact O-CG2 3.23Å; H148-V152 PolarHBondContact O-N 3.21Å |
| 149 | Y | 96.4 | Very high | 94.3 | Very high | 9 Ų | 9 | 31.6 Ų | 31.6 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.5 | -51.4 | 174.5 | -87.1 | -61.3 | 0 | 0 | 0 | 111.8 | L21 F124 V127 R128 L131 M143 P144 S145 F146 F151 V152 M153 | L21-Y149 HydrophobicContact CD1-CD2 3.92Å; L21-Y149 HydrophobicContact CD1-CG 3.97Å; F124-Y149 HydrophobicContact CD2-CD1 4.49Å; F124-Y149 HydrophobicContact CE2-CD1 4.31Å; F124-Y149 HydrophobicContact CE2-CE1 4.48Å; F124-Y149 HydrophobicContact CE2-CG 4.4Å; V127-Y149 HydrophobicContact CG1-CD1 3.95Å; V127-Y149 HydrophobicContact CG1-CE1 4.14Å; R128-Y149 HydrophobicContact CB-CE1 4.02Å; R128-Y149 HydrophobicContact CG-CE1 4.32Å; L131-Y149 HydrophobicContact CD1-CE1 4.19Å; M143-Y149 WeakPolarHBondContact CE-OH 3.37Å; P144-Y149 HydrophobicContact CB-CD1 4.46Å; P144-Y149 HydrophobicContact CB-CD2 3.9Å; P144-Y149 HydrophobicContact CB-CE1 4.35Å; P144-Y149 HydrophobicContact CB-CE2 3.79Å; P144-Y149 HydrophobicContact CB-CG 4.23Å; P144-Y149 HydrophobicContact CG-CE1 4.05Å; P144-Y149 HydrophobicContact CG-CE2 4.08Å; P144-Y149 WeakPolarHBondContact O-CE2 3.26Å; S145-Y149 PolarHBondContact O-N 3.23Å; F146-Y149 WeakPolarHBondContact O-CB 3.32Å; F146-Y149 PolarHBondContact O-N 3.2Å; Y149-F151 VanDerWaalsContact C-N 3.3Å; Y149-F151 PolarHBondContact O-N 3.05Å; Y149-V152 PolarHBondContact O-N 3.08Å; Y149-M153 VanDerWaalsContact O-CB 3.31Å; Y149-M153 WeakPolarHBondContact O-CB 3.47Å; Y149-M153 WeakPolarHBondContact O-CG 3.44Å; Y149-M153 PolarHBondContact O-N 2.91Å |
| 150 | I | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.6 | -43.7 | 179.9 | -65.9 | -58.7 | 0 | 0 | 0 | 111.5 | L21 L96 V104 R107 F120 F146 L147 A154 | L21-I150 HydrophobicContact CD2-CD1 4.07Å; L96-I150 HydrophobicContact CD1-CG2 3.57Å; V104-I150 HydrophobicContact CG2-CD1 3.6Å; R107-I150 HydrophobicContact CB-CG2 4.15Å; F120-I150 HydrophobicContact CE2-CD1 3.96Å; F120-I150 HydrophobicContact CZ-CD1 3.96Å; F146-I150 HydrophobicContact CD1-CG1 4.25Å; F146-I150 HydrophobicContact CE1-CG1 3.83Å; F146-I150 HydrophobicContact CZ-CD1 4.31Å; F146-I150 HydrophobicContact CZ-CG1 4.04Å; F146-I150 WeakPolarHBondContact O-CG1 3.17Å; F146-I150 PolarHBondContact O-N 3.29Å; F146-I150 VanDerWaalsContact O-N 3.1Å; L147-I150 PolarHBondContact O-N 3.49Å; I150-A154 WeakPolarHBondContact O-CB 3.33Å; I150-A154 PolarHBondContact O-N 2.94Å |
| 151 | F | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.5 | -49.1 | 179.3 | 174.7 | -97.3 | 0 | 0 | 0 | 112.6 | L96 L147 H148 Y149 M153 A154 C155 F168 T179 I181 F182 | L96-F151 HydrophobicContact CD2-CB 4.49Å; L96-F151 HydrophobicContact CD2-CD2 3.88Å; L147-F151 WeakPolarHBondContact O-CB 3.44Å; L147-F151 PolarHBondContact O-N 2.85Å; H148-F151 PolarHBondContact O-N 3.1Å; Y149-F151 VanDerWaalsContact C-N 3.3Å; Y149-F151 PolarHBondContact O-N 3.05Å; F151-M153 VanDerWaalsContact C-N 3.31Å; F151-M153 PolarHBondContact O-N 2.87Å; F151-A154 WeakPolarHBondContact O-CB 3.49Å; F151-A154 PolarHBondContact O-N 3.33Å; F151-A154 VanDerWaalsContact O-N 3.11Å; F151-C155 WeakPolarHBondContact CZ-SG 3.39Å; F151-C155 PolarHBondContact O-N 2.58Å; F151-C155 PolarHBondContact O-SG 3.31Å; F151-F168 HydrophobicContact CD2-CD1 4.2Å; F151-F168 HydrophobicContact CD2-CE1 4.22Å; F151-F168 AromaticContact CE2-CD1 3.84Å; F151-F168 HydrophobicContact CE2-CD1 3.84Å; F151-F168 AromaticContact CE2-CE1 3.81Å; F151-F168 HydrophobicContact CE2-CE1 3.81Å; F151-T179 HydrophobicContact CD2-CG2 3.83Å; F151-T179 HydrophobicContact CE2-CG2 4.18Å; F151-I181 HydrophobicContact CE1-CD1 3.46Å; F151-I181 VanDerWaalsContact CE1-CD1 3.46Å; F151-I181 HydrophobicContact CE1-CG1 3.87Å; F151-I181 HydrophobicContact CZ-CD1 3.62Å; F151-I181 HydrophobicContact CZ-CG1 3.59Å; F151-F182 HydrophobicContact CE2-CE2 4.18Å; F151-F182 AromaticContact CE2-CZ 3.72Å; F151-F182 HydrophobicContact CE2-CZ 3.72Å; F151-F182 HydrophobicContact CZ-CE1 4.27Å; F151-F182 HydrophobicContact CZ-CE2 4.46Å; F151-F182 AromaticContact CZ-CZ 3.83Å; F151-F182 HydrophobicContact CZ-CZ 3.83Å |
| 152 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 179.2 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | V54 V127 H148 Y149 A154 C155 K156 | V54-V152 HydrophobicContact CG1-CG1 4.11Å; V54-V152 HydrophobicContact CG2-CG1 3.64Å; V127-V152 HydrophobicContact CG1-CB 4.32Å; V127-V152 HydrophobicContact CG1-CG1 3.78Å; V127-V152 HydrophobicContact CG2-CG1 4.2Å; H148-V152 VanDerWaalsContact O-CG2 3.26Å; H148-V152 WeakPolarHBondContact O-CG2 3.23Å; H148-V152 PolarHBondContact O-N 3.21Å; Y149-V152 PolarHBondContact O-N 3.08Å; V152-A154 VanDerWaalsContact C-N 3.34Å; V152-A154 PolarHBondContact O-N 3.45Å; V152-C155 PolarHBondContact O-N 3.15Å; V152-K156 WeakPolarHBondContact O-CB 3.03Å; V152-K156 PolarHBondContact O-N 2.93Å |
| 153 | M | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | 174.1 | -71.7 | 170.3 | 60.6 | 0 | 0 | 112.1 | I108 F120 L123 F124 V127 Y149 F151 K156 A157 | I108-M153 HydrophobicContact CD1-CB 3.85Å; I108-M153 HydrophobicContact CD1-CE 4.46Å; F120-M153 HydrophobicContact CD1-CE 4.11Å; F120-M153 HydrophobicContact CD2-CE 3.72Å; F120-M153 HydrophobicContact CE1-CE 3.92Å; F120-M153 HydrophobicContact CE2-CE 3.51Å; F120-M153 HydrophobicContact CG-CE 4Å; F120-M153 HydrophobicContact CZ-CE 3.61Å; F120-M153 HydrophobicContact CZ-SD 4.4Å; F120-M153 WeakPolarHBondContact O-CE 3.31Å; L123-M153 HydrophobicContact CB-CE 3.9Å; L123-M153 HydrophobicContact CB-CG 4.32Å; F124-M153 HydrophobicContact CB-CE 3.85Å; F124-M153 HydrophobicContact CB-SD 3.93Å; F124-M153 HydrophobicContact CD2-SD 4.03Å; V127-M153 HydrophobicContact CB-CG 4.34Å; V127-M153 HydrophobicContact CG2-CG 4.06Å; Y149-M153 VanDerWaalsContact O-CB 3.31Å; Y149-M153 WeakPolarHBondContact O-CB 3.47Å; Y149-M153 WeakPolarHBondContact O-CG 3.44Å; Y149-M153 PolarHBondContact O-N 2.91Å; F151-M153 VanDerWaalsContact C-N 3.31Å; F151-M153 PolarHBondContact O-N 2.87Å; M153-K156 PolarHBondContact O-N 2.88Å; M153-A157 VanDerWaalsContact O-CB 3.32Å; M153-A157 WeakPolarHBondContact O-CB 3.29Å; M153-A157 PolarHBondContact O-N 3.45Å |
| 154 | A | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66 | -48.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L96 I108 I150 F151 V152 K156 A157 F158 | L96-A154 HydrophobicContact CB-CB 4.18Å; L96-A154 HydrophobicContact CD1-CB 3.68Å; L96-A154 HydrophobicContact CD2-CB 4.24Å; L96-A154 HydrophobicContact CG-CB 4.23Å; I108-A154 HydrophobicContact CD1-CB 4.21Å; I108-A154 HydrophobicContact CG1-CB 4.06Å; I108-A154 HydrophobicContact CG2-CB 4.3Å; I150-A154 WeakPolarHBondContact O-CB 3.33Å; I150-A154 PolarHBondContact O-N 2.94Å; F151-A154 WeakPolarHBondContact O-CB 3.49Å; F151-A154 PolarHBondContact O-N 3.33Å; F151-A154 VanDerWaalsContact O-N 3.11Å; V152-A154 VanDerWaalsContact C-N 3.34Å; V152-A154 PolarHBondContact O-N 3.45Å; A154-K156 VanDerWaalsContact C-N 3.29Å; A154-K156 PolarHBondContact O-N 3.15Å; A154-A157 PolarHBondContact O-N 3.41Å; A154-F158 HydrophobicContact CB-CE2 4.32Å; A154-F158 HydrophobicContact CB-CZ 4.15Å; A154-F158 WeakPolarHBondContact O-CB 3.33Å; A154-F158 VanDerWaalsContact O-CD1 3.27Å; A154-F158 WeakPolarHBondContact O-CD1 3.42Å; A154-F158 WeakPolarHBondContact O-CG 3.34Å; A154-F158 PolarHBondContact O-N 2.85Å |
| 155 | C | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.8 | -46.6 | 174.7 | -68.9 | 0 | 0 | 0 | 0 | 111.2 | I56 L61 F151 V152 F158 I159 | I56-C155 HydrophobicContact CD1-CB 3.91Å; L61-C155 HydrophobicContact CD2-CB 4.08Å; F151-C155 WeakPolarHBondContact CZ-SG 3.39Å; F151-C155 PolarHBondContact O-N 2.58Å; F151-C155 PolarHBondContact O-SG 3.31Å; V152-C155 PolarHBondContact O-N 3.15Å; C155-F158 PolarHBondContact O-N 3.4Å; C155-I159 WeakPolarHBondContact O-CD1 3.38Å; C155-I159 VanDerWaalsContact O-CG1 3.29Å; C155-I159 WeakPolarHBondContact O-CG1 3.34Å; C155-I159 PolarHBondContact O-N 2.62Å |
| 156 | K | 98.4 | Very high | 97.6 | Very high | 32 Ų | 32 | 26.2 Ų | 26.2 | 14% | 0.139 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.7 | -49.1 | 177.7 | -176.2 | 159.9 | 176.5 | 40.8 | 0 | 112.2 | I56 L123 D126 V127 V152 M153 A154 F158 I159 D160 | I56-K156 HydrophobicContact CD1-CB 4.09Å; L123-K156 HydrophobicContact CD2-CB 4.22Å; L123-K156 HydrophobicContact CD2-CD 4.15Å; L123-K156 HydrophobicContact CD2-CG 3.85Å; D126-K156 WeakPolarHBondContact OD2-CE 3.43Å; D126-K156 IonicContact OD2-NZ 3.88Å; V127-K156 HydrophobicContact CG2-CD 4.06Å; V152-K156 WeakPolarHBondContact O-CB 3.03Å; V152-K156 PolarHBondContact O-N 2.93Å; M153-K156 PolarHBondContact O-N 2.88Å; A154-K156 VanDerWaalsContact C-N 3.29Å; A154-K156 PolarHBondContact O-N 3.15Å; K156-F158 VanDerWaalsContact C-N 3.3Å; K156-F158 PolarHBondContact O-N 3.38Å; K156-I159 PolarHBondContact O-N 2.9Å; K156-D160 WeakPolarHBondContact CG-OD2 3.31Å; K156-D160 IonicContact NZ-OD1 2.76Å; K156-D160 PolarHBondContact NZ-OD1 3.04Å; K156-D160 IonicContact NZ-OD2 2.89Å; K156-D160 PolarHBondContact NZ-OD2 2.82Å; K156-D160 WeakPolarHBondContact O-CB 3.38Å; K156-D160 PolarHBondContact O-N 3.06Å |
| 157 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.8 | -42.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I108 L123 M153 A154 E161 | I108-A157 HydrophobicContact CG2-CB 4.1Å; L123-A157 HydrophobicContact CD1-CB 3.76Å; M153-A157 VanDerWaalsContact O-CB 3.32Å; M153-A157 WeakPolarHBondContact O-CB 3.29Å; M153-A157 PolarHBondContact O-N 3.45Å; A154-A157 PolarHBondContact O-N 3.41Å; A157-E161 WeakPolarHBondContact O-CB 3.45Å; A157-E161 WeakPolarHBondContact O-CG 3.28Å; A157-E161 PolarHBondContact O-N 3.37Å |
| 158 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.3 | -41 | -177.9 | -67.7 | -1.3 | 0 | 0 | 0 | 111.7 | L64 G94 F95 L96 I108 I110 A154 C155 K156 K162 V163 F168 | L64-F158 HydrophobicContact CD1-CB 4.17Å; L64-F158 HydrophobicContact CD2-CB 4Å; G94-F158 VanDerWaalsContact C-CZ 3.47Å; F95-F158 VanDerWaalsContact C-CZ 3.48Å; L96-F158 HydrophobicContact CB-CE2 4.4Å; L96-F158 HydrophobicContact CB-CZ 4.35Å; I108-F158 HydrophobicContact CG2-CE1 3.79Å; I108-F158 HydrophobicContact CG2-CZ 4.37Å; I110-F158 HydrophobicContact CD1-CD1 3.47Å; I110-F158 VanDerWaalsContact CD1-CD1 3.47Å; I110-F158 HydrophobicContact CD1-CE1 3.75Å; A154-F158 HydrophobicContact CB-CE2 4.32Å; A154-F158 HydrophobicContact CB-CZ 4.15Å; A154-F158 WeakPolarHBondContact O-CB 3.33Å; A154-F158 VanDerWaalsContact O-CD1 3.27Å; A154-F158 WeakPolarHBondContact O-CD1 3.42Å; A154-F158 WeakPolarHBondContact O-CG 3.34Å; A154-F158 PolarHBondContact O-N 2.85Å; C155-F158 PolarHBondContact O-N 3.4Å; K156-F158 VanDerWaalsContact C-N 3.3Å; K156-F158 PolarHBondContact O-N 3.38Å; F158-K162 PolarHBondContact O-N 2.66Å; F158-K162 VanDerWaalsContact O-N 3.1Å; F158-V163 HydrophobicContact CB-CG1 4.38Å; F158-V163 HydrophobicContact CB-CG2 3.57Å; F158-V163 HydrophobicContact CG-CG2 4.1Å; F158-V163 WeakPolarHBondContact O-CG2 3.44Å; F158-V163 PolarHBondContact O-N 2.91Å; F158-F168 HydrophobicContact CD2-CE1 4.31Å; F158-F168 HydrophobicContact CD2-CE2 4.08Å; F158-F168 AromaticContact CD2-CZ 3.58Å; F158-F168 HydrophobicContact CD2-CZ 3.58Å; F158-F168 AromaticContact CE2-CE1 3.99Å; F158-F168 HydrophobicContact CE2-CE1 3.99Å; F158-F168 HydrophobicContact CE2-CE2 4.1Å; F158-F168 AromaticContact CE2-CZ 3.63Å; F158-F168 HydrophobicContact CE2-CZ 3.63Å |
| 159 | I | 98.5 | Very high | 98.3 | Very high | 27 Ų | 27 | 22.5 Ų | 22.5 | 14% | 0.138 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.5 | -49.5 | 175.5 | -68.5 | 164.7 | 0 | 0 | 0 | 110.9 | I56 Q60 L61 L64 C155 K156 E161 K162 | I56-I159 HydrophobicContact CB-CD1 4.27Å; I56-I159 HydrophobicContact CD1-CD1 4.17Å; I56-I159 HydrophobicContact CG1-CD1 3.91Å; I56-I159 HydrophobicContact CG2-CD1 3.47Å; I56-I159 VanDerWaalsContact CG2-CD1 3.47Å; Q60-I159 HydrophobicContact CB-CD1 3.77Å; Q60-I159 HydrophobicContact CB-CG1 4.17Å; Q60-I159 HydrophobicContact CB-CG2 4.36Å; L61-I159 HydrophobicContact CD2-CD1 4.33Å; L64-I159 HydrophobicContact CD1-CG1 4.23Å; L64-I159 HydrophobicContact CD2-CG1 4.15Å; L64-I159 HydrophobicContact CG-CG1 4.41Å; C155-I159 WeakPolarHBondContact O-CD1 3.38Å; C155-I159 VanDerWaalsContact O-CG1 3.29Å; C155-I159 WeakPolarHBondContact O-CG1 3.34Å; C155-I159 PolarHBondContact O-N 2.62Å; K156-I159 PolarHBondContact O-N 2.9Å; I159-E161 VanDerWaalsContact C-N 3.28Å; I159-E161 PolarHBondContact O-N 2.88Å; I159-K162 PolarHBondContact O-N 3.05Å |
| 160 | D | 97.9 | Very high | 98.4 | Very high | 85 Ų | 85 | 22.1 Ų | 22.1 | 46% | 0.455 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -62.7 | -37.3 | -177.9 | -70.2 | -15.1 | 0 | 0 | 0 | 111.2 | K156 K162 | K156-D160 WeakPolarHBondContact CG-OD2 3.31Å; K156-D160 IonicContact NZ-OD1 2.76Å; K156-D160 PolarHBondContact NZ-OD1 3.04Å; K156-D160 IonicContact NZ-OD2 2.89Å; K156-D160 PolarHBondContact NZ-OD2 2.82Å; K156-D160 WeakPolarHBondContact O-CB 3.38Å; K156-D160 PolarHBondContact O-N 3.06Å; D160-K162 VanDerWaalsContact C-N 3.3Å; D160-K162 PolarHBondContact O-N 3.31Å |
| 161 | E | 98.1 | Very high | 98.2 | Very high | 59 Ų | 59 | 23.1 Ų | 23.1 | 28% | 0.276 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 0.1 | 175.4 | -65 | -66.9 | 167.6 | 0 | 0 | 113.6 | R92 I110 H119 A157 I159 V163 | R92-E161 WeakPolarHBondContact CD-O 3.32Å; R92-E161 IonicContact CZ-OE2 2.76Å; R92-E161 PolarHBondContact NE-O 2.9Å; R92-E161 PolarHBondContact NH1-O 2.68Å; R92-E161 IonicContact NH1-OE2 3.44Å; R92-E161 IonicContact NH2-OE2 3.42Å; R92-E161 PolarHBondContact NH2-OE2 3.27Å; I110-E161 HydrophobicContact CD1-CB 4.24Å; I110-E161 HydrophobicContact CD1-CG 4.25Å; I110-E161 HydrophobicContact CG1-CG 4.31Å; H119-E161 IonicContact CE1-OE1 2.72Å; H119-E161 PolarHBondContact CE1-OE1 3.33Å; A157-E161 WeakPolarHBondContact O-CB 3.45Å; A157-E161 WeakPolarHBondContact O-CG 3.28Å; A157-E161 PolarHBondContact O-N 3.37Å; I159-E161 VanDerWaalsContact C-N 3.28Å; I159-E161 PolarHBondContact O-N 2.88Å; E161-V163 HydrophobicContact CB-CG1 4.32Å; E161-V163 PolarHBondContact O-N 3.08Å |
| 162 | K | 98.1 | Very high | 97.8 | Very high | 171 Ų | 171 | 24.6 Ų | 24.6 | 74% | 0.743 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 51.6 | 178.7 | -51.9 | 178.8 | -177.1 | -179.1 | 0 | 112.3 | F158 I159 D160 | F158-K162 PolarHBondContact O-N 2.66Å; F158-K162 VanDerWaalsContact O-N 3.1Å; I159-K162 PolarHBondContact O-N 3.05Å; D160-K162 VanDerWaalsContact C-N 3.3Å; D160-K162 PolarHBondContact O-N 3.31Å |
| 163 | V | 98.7 | Very high | 97.6 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | trans | -69.5 | 143.6 | 174.9 | -53.1 | 0 | 0 | 0 | 0 | 109.9 | L64 R92 I110 F158 E161 | L64-V163 HydrophobicContact CD2-CG2 3.57Å; R92-V163 HydrophobicContact CG-CG1 4.3Å; R92-V163 CarbonylContact O-C 3.57Å; R92-V163 WeakPolarHBondContact O-CB 3.06Å; I110-V163 HydrophobicContact CD1-CG1 3.91Å; F158-V163 HydrophobicContact CB-CG1 4.38Å; F158-V163 HydrophobicContact CB-CG2 3.57Å; F158-V163 HydrophobicContact CG-CG2 4.1Å; F158-V163 WeakPolarHBondContact O-CG2 3.44Å; F158-V163 PolarHBondContact O-N 2.91Å; E161-V163 HydrophobicContact CB-CG1 4.32Å; E161-V163 PolarHBondContact O-N 3.08Å | ||
| 164 | D | 98.5 | Very high | 97.5 | Very high | 69 Ų | 69 | 24.7 Ų | 24.7 | 37% | 0.369 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -80.2 | -27.4 | 177.6 | -56.6 | -56.4 | 0 | 0 | 0 | 111.6 | H65 F91 R92 | H65-D164 PolarHBondContact ND1-O 3.42Å; F91-D164 HydrophobicContact CB-CB 4.29Å; F91-D164 HydrophobicContact CD1-CB 3.92Å; R92-D164 WeakPolarHBondContact CB-OD2 3.42Å; R92-D164 PolarHBondContact N-OD2 3.09Å; R92-D164 PolarHBondContact O-N 3.28Å |
| 165 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 127.6 | -178.7 | 62.1 | 0 | 0 | 0 | 0 | 111.5 | L64 I67 L86 R92 T93 G94 I167 W294 | L64-V165 CarbonylContact O-C 3.56Å; L64-V165 VanDerWaalsContact O-CA 3.26Å; L64-V165 WeakPolarHBondContact O-CA 3.42Å; I67-V165 HydrophobicContact CD1-CG2 3.96Å; I67-V165 HydrophobicContact CG1-CG2 4.16Å; L86-V165 HydrophobicContact CB-CG1 4.39Å; L86-V165 HydrophobicContact CD1-CB 4.35Å; L86-V165 HydrophobicContact CD1-CG1 3.89Å; L86-V165 HydrophobicContact CD1-CG2 3.9Å; R92-V165 PolarHBondContact O-N 2.87Å; T93-V165 HydrophobicContact CG2-CG1 3.7Å; G94-V165 PolarHBondContact N-O 3.32Å; V165-I167 HydrophobicContact CG2-CG1 4.19Å; V165-W294 HydrophobicContact CB-CH2 4.09Å; V165-W294 HydrophobicContact CB-CZ2 3.55Å; V165-W294 HydrophobicContact CG2-CH2 4.46Å; V165-W294 HydrophobicContact CG2-CZ2 3.66Å |
| 166 | G | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 114.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | L64 I66 I67 F168 | L64-G166 PolarHBondContact O-N 3.29Å; I66-G166 WeakPolarHBondContact CA-O 3.41Å; I67-G166 PolarHBondContact N-O 2.67Å; G166-F168 WeakPolarHBondContact O-CD2 3.13Å |
| 167 | I | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 118.9 | 177.4 | -55 | 163.1 | 0 | 0 | 0 | 107.9 | I67 C79 I82 E83 G94 F95 L96 V165 | I67-I167 HydrophobicContact CB-CG1 4.41Å; I67-I167 HydrophobicContact CD1-CG1 4.46Å; I67-I167 WeakPolarHBondContact O-CA 3.48Å; C79-I167 HydrophobicContact CB-CG2 3.86Å; I82-I167 HydrophobicContact CB-CD1 4.49Å; I82-I167 HydrophobicContact CG2-CD1 3.86Å; I82-I167 HydrophobicContact CG2-CG1 4.29Å; E83-I167 VanDerWaalsContact CA-CD1 3.48Å; E83-I167 HydrophobicContact CB-CD1 3.66Å; E83-I167 HydrophobicContact CG-CD1 4.23Å; G94-I167 PolarHBondContact O-N 3Å; F95-I167 CarbonylContact C-O 3.58Å; F95-I167 WeakPolarHBondContact CA-O 3.23Å; F95-I167 HydrophobicContact CB-CB 4.37Å; F95-I167 HydrophobicContact CD2-CB 4.2Å; F95-I167 HydrophobicContact CD2-CG2 4.04Å; F95-I167 WeakPolarHBondContact CD2-O 3.48Å; L96-I167 PolarHBondContact N-O 2.96Å; V165-I167 HydrophobicContact CG2-CG1 4.19Å |
| 168 | F | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 114.7 | -175.6 | -69.1 | -98 | 0 | 0 | 0 | 110.4 | I66 I67 H68 V69 L96 F151 F158 G166 F182 | I66-F168 HydrophobicContact CD1-CD2 3.85Å; I66-F168 HydrophobicContact CD1-CE2 3.33Å; I66-F168 HydrophobicContact CD1-CZ 4.21Å; I66-F168 HydrophobicContact CG2-CD2 4Å; I67-F168 PolarHBondContact O-N 3.37Å; H68-F168 PolarHBondContact CD2-O 2.99Å; V69-F168 PolarHBondContact N-O 3.37Å; L96-F168 HydrophobicContact CB-CD1 3.85Å; L96-F168 HydrophobicContact CB-CE1 4.24Å; L96-F168 HydrophobicContact CD2-CD1 3.75Å; L96-F168 HydrophobicContact CD2-CE1 4.22Å; L96-F168 HydrophobicContact CG-CD1 4.45Å; F151-F168 HydrophobicContact CD2-CD1 4.2Å; F151-F168 HydrophobicContact CD2-CE1 4.22Å; F151-F168 AromaticContact CE2-CD1 3.84Å; F151-F168 HydrophobicContact CE2-CD1 3.84Å; F151-F168 AromaticContact CE2-CE1 3.81Å; F151-F168 HydrophobicContact CE2-CE1 3.81Å; F158-F168 HydrophobicContact CD2-CE1 4.31Å; F158-F168 HydrophobicContact CD2-CE2 4.08Å; F158-F168 AromaticContact CD2-CZ 3.58Å; F158-F168 HydrophobicContact CD2-CZ 3.58Å; F158-F168 AromaticContact CE2-CE1 3.99Å; F158-F168 HydrophobicContact CE2-CE1 3.99Å; F158-F168 HydrophobicContact CE2-CE2 4.1Å; F158-F168 AromaticContact CE2-CZ 3.63Å; F158-F168 HydrophobicContact CE2-CZ 3.63Å; G166-F168 WeakPolarHBondContact O-CD2 3.13Å; F168-F182 HydrophobicContact CB-CE2 4.09Å; F168-F182 HydrophobicContact CD1-CE2 4.08Å; F168-F182 AromaticContact CD1-CZ 3.76Å; F168-F182 HydrophobicContact CD1-CZ 3.76Å; F168-F182 AromaticContact CD2-CE2 3.92Å; F168-F182 HydrophobicContact CD2-CE2 3.92Å; F168-F182 AromaticContact CD2-CZ 3.7Å; F168-F182 HydrophobicContact CD2-CZ 3.7Å; F168-F182 AromaticContact CE1-CZ 3.75Å; F168-F182 HydrophobicContact CE1-CZ 3.75Å; F168-F182 HydrophobicContact CE2-CE1 4.33Å; F168-F182 HydrophobicContact CE2-CE2 4.39Å; F168-F182 AromaticContact CE2-CZ 3.7Å; F168-F182 HydrophobicContact CE2-CZ 3.7Å; F168-F182 AromaticContact CG-CE2 3.75Å; F168-F182 HydrophobicContact CG-CE2 3.75Å; F168-F182 AromaticContact CG-CZ 3.73Å; F168-F182 HydrophobicContact CG-CZ 3.73Å; F168-F182 HydrophobicContact CZ-CE1 4.34Å; F168-F182 AromaticContact CZ-CZ 3.72Å; F168-F182 HydrophobicContact CZ-CZ 3.72Å |
| 169 | E | 98.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 6% | 0.056 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 122.3 | 169.6 | 178.6 | 173.3 | -160.2 | 0 | 0 | 110.4 | K75 G76 F95 L96 S97 S98 G171 | K75-E169 HydrophobicContact CB-CG 3.99Å; K75-E169 WeakPolarHBondContact CB-OE1 3.21Å; K75-E169 HydrophobicContact CD-CG 4.21Å; K75-E169 WeakPolarHBondContact CE-OE1 3.33Å; G76-E169 PolarHBondContact N-OE1 2.94Å; G76-E169 VanDerWaalsContact N-OE1 3.11Å; F95-E169 HydrophobicContact CE2-CB 4.14Å; L96-E169 VanDerWaalsContact O-CB 3.31Å; L96-E169 WeakPolarHBondContact O-CB 3.46Å; L96-E169 PolarHBondContact O-N 2.88Å; S97-E169 WeakPolarHBondContact CA-OE2 3.38Å; S98-E169 PolarHBondContact N-OE2 3.27Å; E169-G171 PolarHBondContact O-N 3.05Å |
| 170 | V | 97.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | trans | -64.8 | 129.6 | 171 | 169.1 | 0 | 0 | 0 | 0 | 109.8 | H68 V69 K75 D177 I215 | H68-V170 VanDerWaalsContact NE2-CG2 3.28Å; H68-V170 WeakPolarHBondContact NE2-CG2 3.48Å; V69-V170 WeakPolarHBondContact O-CB 3.37Å; V69-V170 WeakPolarHBondContact O-CG2 3.45Å; V69-V170 PolarHBondContact O-N 3.14Å; K75-V170 VanDerWaalsContact CE-O 3.31Å; K75-V170 WeakPolarHBondContact CE-O 3.37Å; V170-D177 HydrophobicContact CG1-CB 3.84Å; V170-I215 HydrophobicContact CG2-CG2 4.06Å | ||
| 171 | G | 92.6 | Very high | 96.5 | Very high | 22 Ų | 22 | 24.5 Ų | 24.5 | 23% | 0.227 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -65.4 | -53 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E169 D177 | E169-G171 PolarHBondContact O-N 3.05Å; G171-D177 PolarHBondContact N-OD2 3.33Å |
| 172 | I | 90.9 | Very high | 96.4 | Very high | 31 Ų | 31 | 22.1 Ų | 22.1 | 16% | 0.159 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -156.5 | 129 | -177.7 | 170.7 | 167 | 0 | 0 | 0 | 111.6 | G174 D177 H197 I200 L201 | I172-G174 PolarHBondContact O-N 3.5Å; I172-D177 PolarHBondContact N-OD2 3.39Å; I172-H197 HydrophobicContact CD1-CB 3.81Å; I172-I200 HydrophobicContact CD1-CB 4.35Å; I172-I200 HydrophobicContact CD1-CD1 3.73Å; I172-I200 HydrophobicContact CD1-CG2 4.13Å; I172-L201 HydrophobicContact CG1-CD1 4.39Å; I172-L201 HydrophobicContact CG1-CD2 4.13Å; I172-L201 HydrophobicContact CG1-CG 4.45Å |
| 173 | G | 94.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | trans | 75.6 | -105.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T70 A211 K212 | T70-G173 PolarHBondContact OG1-O 2.74Å; G173-A211 CarbonylContact C-O 3.6Å; G173-K212 WeakPolarHBondContact O-CA 3.27Å; G173-K212 VanDerWaalsContact O-CG 3.31Å; G173-K212 WeakPolarHBondContact O-CG 3.2Å | ||
| 174 | G | 96.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 160.3 | -68.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | I172 Y176 D177 N180 A211 | I172-G174 PolarHBondContact O-N 3.5Å; G174-Y176 VanDerWaalsContact C-N 3.27Å; G174-Y176 PolarHBondContact O-N 3.33Å; G174-Y176 VanDerWaalsContact O-N 3.1Å; G174-D177 WeakPolarHBondContact O-CB 3.19Å; G174-D177 PolarHBondContact O-N 3.47Å; G174-N180 WeakPolarHBondContact O-CB 3.37Å; G174-N180 PolarHBondContact O-ND2 2.7Å; G174-A211 CarbonylContact C-O 3.59Å; G174-A211 WeakPolarHBondContact CA-O 3.47Å; G174-A211 PolarHBondContact N-O 3.35Å |
| 175 | R | 96 | Very high | 95.8 | Very high | 46 Ų | 46 | 20.5 Ų | 20.5 | 17% | 0.174 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45 | -48.3 | -177.9 | -168.2 | 173.2 | -63.7 | -118.4 | -8.7 | 113.9 | N180 W210 A211 E239 | R175-N180 PolarHBondContact O-ND2 3.18Å; R175-W210 PolarHBondContact NE-O 3.41Å; R175-W210 VanDerWaalsContact NH1-NE1 3.19Å; R175-W210 VanDerWaalsContact NH2-NE1 3.15Å; R175-W210 PolarHBondContact NH2-O 3.37Å; R175-A211 WeakPolarHBondContact CB-O 3.24Å; R175-A211 PolarHBondContact N-O 2.8Å; R175-E239 IonicContact CZ-OE2 3.74Å; R175-E239 IonicContact NH1-OE2 3.81Å; R175-E239 IonicContact NH2-OE1 3.27Å; R175-E239 IonicContact NH2-OE2 3.64Å; R175-E239 PolarHBondContact NH2-OE2 2.9Å |
| 176 | Y | 94.7 | Very high | 95.7 | Very high | 41 Ų | 41 | 21.2 Ų | 21.2 | 16% | 0.161 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 25.7 | -177.8 | -49.7 | -59.7 | 0 | 0 | 0 | 112.7 | E41 Y44 G174 W210 | E41-Y176 HydrophobicContact CB-CD1 3.92Å; E41-Y176 HydrophobicContact CB-CD2 4.42Å; E41-Y176 HydrophobicContact CB-CE1 3.77Å; E41-Y176 HydrophobicContact CB-CE2 4.31Å; E41-Y176 HydrophobicContact CB-CG 4.21Å; E41-Y176 VanDerWaalsContact CD-OH 3.26Å; E41-Y176 HydrophobicContact CG-CD1 4.17Å; E41-Y176 HydrophobicContact CG-CE1 3.58Å; E41-Y176 PolarHBondContact OE1-OH 2.91Å; Y44-Y176 AromaticContact CD1-CD1 3.72Å; Y44-Y176 HydrophobicContact CD1-CD1 3.72Å; Y44-Y176 AromaticContact CE1-CD1 3.91Å; Y44-Y176 HydrophobicContact CE1-CD1 3.91Å; Y44-Y176 HydrophobicContact CE1-CE1 4.33Å; Y44-Y176 HydrophobicContact CG-CD1 4.33Å; G174-Y176 VanDerWaalsContact C-N 3.27Å; G174-Y176 PolarHBondContact O-N 3.33Å; G174-Y176 VanDerWaalsContact O-N 3.1Å; Y176-W210 AromaticContact CE2-CH2 3.86Å; Y176-W210 HydrophobicContact CE2-CH2 3.86Å; Y176-W210 HydrophobicContact CE2-CZ3 4.05Å |
| 177 | D | 94.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -81.1 | 145 | 172.9 | -169.7 | -103.2 | 0 | 0 | 0 | 110.3 | V170 G171 I172 G174 T179 N180 | V170-D177 HydrophobicContact CG1-CB 3.84Å; G171-D177 PolarHBondContact N-OD2 3.33Å; I172-D177 PolarHBondContact N-OD2 3.39Å; G174-D177 WeakPolarHBondContact O-CB 3.19Å; G174-D177 PolarHBondContact O-N 3.47Å; D177-T179 PolarHBondContact O-N 3.24Å; D177-T179 WeakPolarHBondContact OD1-CB 3.4Å; D177-T179 WeakPolarHBondContact OD1-CG2 2.98Å; D177-T179 PolarHBondContact OD1-N 3.18Å; D177-T179 PolarHBondContact OD1-OG1 3.41Å; D177-N180 WeakPolarHBondContact O-CB 3.28Å; D177-N180 PolarHBondContact O-N 2.95Å |
| 178 | H | 92.7 | Very high | 95.7 | Very high | 16 Ų | 16 | 21.2 Ų | 21.2 | 7% | 0.074 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -19.7 | 176.3 | 61.1 | -66 | 0 | 0 | 0 | 114.5 | S47 L147 | S47-H178 WeakPolarHBondContact CB-O 3.13Å; S47-H178 PolarHBondContact OG-O 3.47Å; L147-H178 PolarHBondContact O-CD2 3.06Å; L147-H178 VanDerWaalsContact O-CD2 3.25Å |
| 179 | T | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -13.3 | 174.6 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | H68 L96 F151 D177 I181 F182 | H68-T179 WeakPolarHBondContact NE2-CB 3.44Å; H68-T179 PolarHBondContact NE2-OG1 2.65Å; L96-T179 HydrophobicContact CD2-CG2 4.14Å; F151-T179 HydrophobicContact CD2-CG2 3.83Å; F151-T179 HydrophobicContact CE2-CG2 4.18Å; D177-T179 PolarHBondContact O-N 3.24Å; D177-T179 WeakPolarHBondContact OD1-CB 3.4Å; D177-T179 WeakPolarHBondContact OD1-CG2 2.98Å; D177-T179 PolarHBondContact OD1-N 3.18Å; D177-T179 PolarHBondContact OD1-OG1 3.41Å; T179-I181 PolarHBondContact O-N 2.75Å; T179-F182 VanDerWaalsContact O-CD2 3.32Å; T179-F182 WeakPolarHBondContact O-CD2 3.4Å; T179-F182 WeakPolarHBondContact O-CE2 3.41Å |
| 180 | N | 96.9 | Very high | 95.7 | Very high | 10 Ų | 10 | 20.7 Ų | 20.7 | 5% | 0.053 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 51.7 | -170.5 | -166.1 | 26.1 | 0 | 0 | 0 | 114.3 | G174 R175 D177 G214 K217 | G174-N180 WeakPolarHBondContact O-CB 3.37Å; G174-N180 PolarHBondContact O-ND2 2.7Å; R175-N180 PolarHBondContact O-ND2 3.18Å; D177-N180 WeakPolarHBondContact O-CB 3.28Å; D177-N180 PolarHBondContact O-N 2.95Å; N180-G214 PolarHBondContact ND2-O 3.26Å; N180-K217 VanDerWaalsContact OD1-CE 3.27Å; N180-K217 WeakPolarHBondContact OD1-CE 3.3Å; N180-K217 PolarHBondContact OD1-NZ 2.97Å |
| 181 | I | 96.2 | Very high | 95.7 | Very high | 24 Ų | 24 | 20.6 Ų | 20.6 | 12% | 0.123 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -12.7 | 176.9 | 66.5 | 158.5 | 0 | 0 | 0 | 113.8 | A48 L61 F151 T179 K183 | A48-I181 HydrophobicContact CB-CB 4.13Å; A48-I181 HydrophobicContact CB-CD1 4.23Å; A48-I181 HydrophobicContact CB-CG2 4.01Å; L61-I181 HydrophobicContact CD1-CD1 4.05Å; F151-I181 HydrophobicContact CE1-CD1 3.46Å; F151-I181 VanDerWaalsContact CE1-CD1 3.46Å; F151-I181 HydrophobicContact CE1-CG1 3.87Å; F151-I181 HydrophobicContact CZ-CD1 3.62Å; F151-I181 HydrophobicContact CZ-CG1 3.59Å; T179-I181 PolarHBondContact O-N 2.75Å; I181-K183 PolarHBondContact O-N 3.33Å |
| 182 | F | 96.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 21 Ų | 21 | 4% | 0.035 | 10% | 0.102 | C | C | . | . | trans | -66.7 | 125.3 | -178.8 | -51.7 | -62.7 | 0 | 0 | 0 | 110 | L61 I66 F151 F168 T179 P185 K217 | L61-F182 HydrophobicContact CD2-CE1 4.43Å; I66-F182 HydrophobicContact CB-CG 4.5Å; I66-F182 HydrophobicContact CD1-CD1 3.94Å; I66-F182 HydrophobicContact CD1-CE1 3.61Å; I66-F182 HydrophobicContact CD1-CZ 3.96Å; I66-F182 HydrophobicContact CG1-CD1 3.76Å; I66-F182 HydrophobicContact CG1-CE1 3.98Å; I66-F182 HydrophobicContact CG1-CG 4.12Å; I66-F182 HydrophobicContact CG2-CD1 4.39Å; I66-F182 HydrophobicContact CG2-CD2 3.77Å; I66-F182 HydrophobicContact CG2-CE2 3.96Å; I66-F182 HydrophobicContact CG2-CG 3.99Å; I66-F182 HydrophobicContact CG2-CZ 4.35Å; F151-F182 HydrophobicContact CE2-CE2 4.18Å; F151-F182 AromaticContact CE2-CZ 3.72Å; F151-F182 HydrophobicContact CE2-CZ 3.72Å; F151-F182 HydrophobicContact CZ-CE1 4.27Å; F151-F182 HydrophobicContact CZ-CE2 4.46Å; F151-F182 AromaticContact CZ-CZ 3.83Å; F151-F182 HydrophobicContact CZ-CZ 3.83Å; F168-F182 HydrophobicContact CB-CE2 4.09Å; F168-F182 HydrophobicContact CD1-CE2 4.08Å; F168-F182 AromaticContact CD1-CZ 3.76Å; F168-F182 HydrophobicContact CD1-CZ 3.76Å; F168-F182 AromaticContact CD2-CE2 3.92Å; F168-F182 HydrophobicContact CD2-CE2 3.92Å; F168-F182 AromaticContact CD2-CZ 3.7Å; F168-F182 HydrophobicContact CD2-CZ 3.7Å; F168-F182 AromaticContact CE1-CZ 3.75Å; F168-F182 HydrophobicContact CE1-CZ 3.75Å; F168-F182 HydrophobicContact CE2-CE1 4.33Å; F168-F182 HydrophobicContact CE2-CE2 4.39Å; F168-F182 AromaticContact CE2-CZ 3.7Å; F168-F182 HydrophobicContact CE2-CZ 3.7Å; F168-F182 AromaticContact CG-CE2 3.75Å; F168-F182 HydrophobicContact CG-CE2 3.75Å; F168-F182 AromaticContact CG-CZ 3.73Å; F168-F182 HydrophobicContact CG-CZ 3.73Å; F168-F182 HydrophobicContact CZ-CE1 4.34Å; F168-F182 AromaticContact CZ-CZ 3.72Å; F168-F182 HydrophobicContact CZ-CZ 3.72Å; T179-F182 VanDerWaalsContact O-CD2 3.32Å; T179-F182 WeakPolarHBondContact O-CD2 3.4Å; T179-F182 WeakPolarHBondContact O-CE2 3.41Å; F182-P185 HydrophobicContact CB-CB 4.42Å; F182-P185 HydrophobicContact CB-CG 4.45Å; F182-K217 PolarHBondContact O-NZ 3.39Å | ||
| 183 | K | 93.8 | Very high | 96.1 | Very high | 133 Ų | 133 | 20.9 Ų | 20.9 | 58% | 0.578 | 10% | 0.102 | S | C | * | . | S | Bend | trans | -78.4 | -35.9 | -177.8 | -68.2 | 177 | 179.3 | 171.4 | 0 | 111.8 | D58 I181 K217 | D58-K183 IonicContact OD2-NZ 2.87Å; D58-K183 PolarHBondContact OD2-NZ 2.89Å; I181-K183 PolarHBondContact O-N 3.33Å; K183-K217 WeakPolarHBondContact O-CB 3.03Å |
| 184 | D | 93.3 | Very high | 95.9 | Very high | 79 Ų | 79 | 22.4 Ų | 22.4 | 42% | 0.422 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -144.6 | 56.9 | -169.5 | 56.8 | -29.1 | 0 | 0 | 0 | 111.8 | R62 | R62-D184 WeakPolarHBondContact CD-OD2 3.35Å; R62-D184 VanDerWaalsContact CG-OD1 3.28Å; R62-D184 WeakPolarHBondContact CG-OD1 3.18Å |
| 185 | P | 97 | Very high | 95.4 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | trans | -56.3 | 143.7 | 172.4 | 26.2 | -34.2 | 0 | 0 | 0 | 111 | I66 H68 F182 V187 T188 K217 S220 | I66-P185 HydrophobicContact CB-CB 3.94Å; I66-P185 HydrophobicContact CG2-CB 3.89Å; H68-P185 HydrophobicContact CB-CB 4.47Å; F182-P185 HydrophobicContact CB-CB 4.42Å; F182-P185 HydrophobicContact CB-CG 4.45Å; P185-V187 VanDerWaalsContact C-N 3.34Å; P185-V187 PolarHBondContact O-N 2.91Å; P185-T188 HydrophobicContact CB-CG2 4.13Å; P185-T188 HydrophobicContact CG-CG2 3.45Å; P185-T188 VanDerWaalsContact CG-CG2 3.45Å; P185-K217 HydrophobicContact CG-CB 4.38Å; P185-K217 HydrophobicContact CG-CG 4.07Å; P185-S220 VanDerWaalsContact CD-OG 3.26Å; P185-S220 WeakPolarHBondContact CD-OG 3.18Å; P185-S220 WeakPolarHBondContact CG-OG 3.22Å; P185-S220 WeakPolarHBondContact O-CA 3.36Å; P185-S220 WeakPolarHBondContact O-CB 3.49Å; P185-S220 PolarHBondContact O-OG 3.3Å | ||
| 186 | C | 96.7 | Very high | 94.7 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 10% | 0.101 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -61 | -46.9 | 178.5 | -67.6 | 0 | 0 | 0 | 0 | 110.8 | I66 I221 K297 | I66-C186 PolarHBondContact O-N 2.97Å; C186-I221 PolarHBondContact O-N 2.85Å; C186-I221 VanDerWaalsContact O-N 3.15Å; C186-K297 HydrophobicContact CB-CB 4.43Å; C186-K297 HydrophobicContact CB-CG 4.21Å |
| 187 | V | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 137.1 | 178.7 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | I66 I67 H68 P185 V189 I221 V223 T290 W294 | I66-V187 PolarHBondContact O-N 3.07Å; I67-V187 WeakPolarHBondContact CA-O 3.24Å; H68-V187 PolarHBondContact N-O 3.45Å; P185-V187 VanDerWaalsContact C-N 3.34Å; P185-V187 PolarHBondContact O-N 2.91Å; V187-V189 HydrophobicContact CG1-CG2 4.05Å; V187-I221 CarbonylContact C-O 3.52Å; V187-I221 WeakPolarHBondContact CA-O 3.43Å; V187-I221 HydrophobicContact CG2-CB 4.47Å; V187-V223 HydrophobicContact CG1-CG2 3.74Å; V187-T290 HydrophobicContact CB-CG2 4.34Å; V187-T290 HydrophobicContact CG1-CG2 3.97Å; V187-W294 HydrophobicContact CG2-CB 3.81Å |
| 188 | T | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135.7 | 172.8 | 57.7 | 0 | 0 | 0 | 0 | 108.7 | H68 P185 I215 F216 I221 A222 V223 | H68-T188 HydrophobicContact CB-CG2 4.4Å; H68-T188 CarbonylContact O-C 3.52Å; H68-T188 WeakPolarHBondContact O-CA 3.37Å; P185-T188 HydrophobicContact CB-CG2 4.13Å; P185-T188 HydrophobicContact CG-CG2 3.45Å; P185-T188 VanDerWaalsContact CG-CG2 3.45Å; T188-I215 HydrophobicContact CG2-CG1 4.42Å; T188-I215 WeakPolarHBondContact CG2-O 3.11Å; T188-F216 WeakPolarHBondContact OG1-CD1 3.42Å; T188-I221 PolarHBondContact N-O 3.1Å; T188-I221 PolarHBondContact OG1-O 2.99Å; T188-A222 CarbonylContact O-C 3.51Å; T188-A222 WeakPolarHBondContact O-CA 3.44Å; T188-A222 WeakPolarHBondContact OG1-CA 3.48Å; T188-V223 PolarHBondContact O-N 3.02Å |
| 189 | V | 98.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.9 | -167.3 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | I67 H68 V69 T70 V78 V187 V223 L286 T290 | I67-V189 HydrophobicContact CG2-CG2 4.23Å; H68-V189 PolarHBondContact O-N 3.39Å; V69-V189 HydrophobicContact CB-CB 4.35Å; V69-V189 HydrophobicContact CG1-CB 4.16Å; V69-V189 HydrophobicContact CG1-CG1 4.26Å; V69-V189 HydrophobicContact CG2-CB 4.06Å; V69-V189 HydrophobicContact CG2-CG2 4.25Å; T70-V189 PolarHBondContact N-O 3.06Å; V78-V189 HydrophobicContact CG1-CG1 4.34Å; V187-V189 HydrophobicContact CG1-CG2 4.05Å; V189-V223 CarbonylContact C-O 3.54Å; V189-V223 VanDerWaalsContact CA-O 3.25Å; V189-V223 WeakPolarHBondContact CA-O 3.23Å; V189-L286 HydrophobicContact CG1-CD1 3.88Å; V189-L286 HydrophobicContact CG1-CD2 3.76Å; V189-L286 HydrophobicContact CG1-CG 3.83Å; V189-T290 HydrophobicContact CG2-CG2 3.54Å; V189-T290 WeakPolarHBondContact CG2-OG1 3.35Å |
| 190 | V | 98.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 111.4 | 170.5 | -167.4 | 0 | 0 | 0 | 0 | 110.1 | T70 L193 K212 F216 V223 V224 S225 F236 | T70-V190 HydrophobicContact CG2-CB 4.36Å; T70-V190 HydrophobicContact CG2-CG1 4.16Å; T70-V190 HydrophobicContact CG2-CG2 3.89Å; T70-V190 WeakPolarHBondContact O-CA 3.32Å; V190-L193 HydrophobicContact CG1-CD2 3.72Å; V190-K212 HydrophobicContact CG1-CB 4.25Å; V190-K212 HydrophobicContact CG1-CD 4.35Å; V190-F216 HydrophobicContact CG2-CE1 3.7Å; V190-F216 HydrophobicContact CG2-CZ 3.95Å; V190-V223 PolarHBondContact N-O 2.98Å; V190-V224 HydrophobicContact CB-CB 4.44Å; V190-V224 HydrophobicContact CB-CG1 3.92Å; V190-V224 HydrophobicContact CG2-CG1 4.1Å; V190-V224 CarbonylContact O-C 3.52Å; V190-V224 WeakPolarHBondContact O-CA 3.48Å; V190-S225 PolarHBondContact O-N 3.07Å; V190-F236 HydrophobicContact CB-CZ 4.17Å; V190-F236 HydrophobicContact CG1-CE1 4.17Å; V190-F236 HydrophobicContact CG1-CE2 4.42Å; V190-F236 HydrophobicContact CG1-CZ 3.61Å; V190-F236 HydrophobicContact CG2-CE1 4.35Å; V190-F236 HydrophobicContact CG2-CZ 4.41Å |
| 191 | T | 98.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -72.4 | -175.9 | 172.6 | 77.2 | 0 | 0 | 0 | 0 | 111 | V69 T70 G71 K73 K75 V78 L193 Q228 L286 | V69-T191 HydrophobicContact CG1-CG2 4.02Å; T70-T191 WeakPolarHBondContact O-CG2 3.46Å; T70-T191 PolarHBondContact O-N 2.96Å; G71-T191 VanDerWaalsContact CA-OG1 3.3Å; G71-T191 WeakPolarHBondContact CA-OG1 3.24Å; K73-T191 VanDerWaalsContact O-CB 3.22Å; K73-T191 WeakPolarHBondContact O-CB 3.23Å; K73-T191 PolarHBondContact O-OG1 2.91Å; K75-T191 HydrophobicContact CG-CG2 4.48Å; V78-T191 HydrophobicContact CB-CG2 4.07Å; V78-T191 HydrophobicContact CG1-CG2 4.39Å; V78-T191 HydrophobicContact CG2-CG2 3.74Å; T191-L193 PolarHBondContact O-N 3.44Å; T191-Q228 PolarHBondContact O-NE2 2.94Å; T191-L286 HydrophobicContact CG2-CD2 3.92Å | ||
| 192 | S | 95.5 | Very high | 91.2 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 21% | 0.21 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -56 | 138.7 | -178.5 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | S72 K73 | S72-S192 WeakPolarHBondContact CB-O 3.48Å; S72-S192 PolarHBondContact N-O 3.32Å; K73-S192 PolarHBondContact N-O 3.38Å; K73-S192 PolarHBondContact O-OG 3.33Å |
| 193 | L | 94.8 | Very high | 91.1 | Very high | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | trans | -92.2 | 149.7 | 176.5 | -59.8 | -162.3 | 0 | 0 | 0 | 112 | V190 T191 I205 I208 A209 K212 A232 F236 | V190-L193 HydrophobicContact CG1-CD2 3.72Å; T191-L193 PolarHBondContact O-N 3.44Å; L193-I205 HydrophobicContact CD1-CG2 4.44Å; L193-I208 HydrophobicContact CD1-CG2 4.47Å; L193-A209 HydrophobicContact CD1-CB 3.74Å; L193-K212 HydrophobicContact CD2-CD 3.16Å; L193-K212 HydrophobicContact CG-CD 4.46Å; L193-A232 HydrophobicContact CD1-CB 3.79Å; L193-F236 HydrophobicContact CD1-CE1 4.32Å; L193-F236 HydrophobicContact CD1-CE2 4.21Å; L193-F236 HydrophobicContact CD1-CZ 3.55Å; L193-F236 HydrophobicContact CD2-CZ 4.35Å; L193-F236 HydrophobicContact CG-CZ 4.08Å | ||
| 194 | A | 89.7 | Confident | 91.1 | Very high | 34 Ų | 34 | 41.6 Ų | 41.6 | 28% | 0.281 | 23% | 0.226 | S | C | . | . | trans | -152.4 | 156.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | S72 E196 I208 | S72-A194 VanDerWaalsContact CB-N 3.3Å; S72-A194 PolarHBondContact OG-N 3.41Å; S72-A194 PolarHBondContact OG-O 3.05Å; S72-A194 VanDerWaalsContact OG-O 3.05Å; A194-E196 PolarHBondContact O-N 3.33Å; A194-I208 WeakPolarHBondContact O-CD1 3.49Å | ||
| 195 | L | 86.5 | Confident | 91.2 | Very high | 107 Ų | 107 | 39.4 Ų | 39.4 | 56% | 0.56 | 21% | 0.214 | S | C | * | . | trans | -60.2 | 111.7 | 169.3 | -68.3 | 176.4 | 0 | 0 | 0 | 109.2 | I205 I208 | L195-I205 HydrophobicContact CD2-CD1 3.86Å; L195-I205 HydrophobicContact CD2-CG1 4.23Å; L195-I205 HydrophobicContact CG-CD1 3.94Å; L195-I208 HydrophobicContact CD2-CD1 3.87Å | ||
| 196 | E | 82 | Confident | 91.2 | Very high | 32 Ų | 32 | 41 Ų | 41 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | trans | -147.6 | 150.2 | 179.8 | 67.3 | 170.8 | -178.6 | 0 | 0 | 110.4 | S72 A194 T198 L201 K212 | S72-E196 WeakPolarHBondContact CA-OE1 3.37Å; S72-E196 VanDerWaalsContact CB-CD 3.43Å; S72-E196 WeakPolarHBondContact CB-OE1 3.32Å; S72-E196 PolarHBondContact OG-OE1 3.42Å; S72-E196 VanDerWaalsContact OG-OE1 3.13Å; A194-E196 PolarHBondContact O-N 3.33Å; E196-T198 PolarHBondContact O-N 3.36Å; E196-T198 VanDerWaalsContact O-N 3.16Å; E196-L201 HydrophobicContact CG-CD1 4.25Å; E196-K212 IonicContact OE1-NZ 2.66Å; E196-K212 PolarHBondContact OE1-NZ 3.05Å | ||
| 197 | H | 80.7 | Confident | 91.2 | Very high | 101 Ų | 101 | 43.5 Ų | 43.5 | 47% | 0.468 | 24% | 0.238 | S | C | . | . | trans | 49.5 | 44 | 175.1 | -60 | -69.2 | 0 | 0 | 0 | 113.4 | I172 N199 I200 L201 | I172-H197 HydrophobicContact CD1-CB 3.81Å; H197-N199 PolarHBondContact O-N 2.72Å; H197-N199 VanDerWaalsContact O-N 3.14Å; H197-I200 WeakPolarHBondContact O-CA 3.43Å; H197-I200 PolarHBondContact O-N 2.93Å; H197-L201 HydrophobicContact CB-CD1 4.06Å; H197-L201 HydrophobicContact CB-CG 4.06Å; H197-L201 PolarHBondContact O-N 3.25Å | ||
| 198 | T | 82.5 | Confident | 91.1 | Very high | 49 Ų | 49 | 43.5 Ų | 43.5 | 30% | 0.301 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.9 | -32.6 | -169.5 | 49.7 | 0 | 0 | 0 | 0 | 113.5 | E196 I200 G202 | E196-T198 PolarHBondContact O-N 3.36Å; E196-T198 VanDerWaalsContact O-N 3.16Å; T198-I200 PolarHBondContact O-N 3.32Å; T198-I200 VanDerWaalsContact O-N 3.11Å; T198-G202 WeakPolarHBondContact CA-O 3.21Å; T198-G202 WeakPolarHBondContact CB-O 3.35Å; T198-G202 WeakPolarHBondContact CG2-O 3.49Å; T198-G202 CarbonylContact O-C 3.54Å; T198-G202 PolarHBondContact O-N 2.92Å; T198-G202 VanDerWaalsContact O-N 3.08Å |
| 199 | N | 79.4 | Confident | 91.1 | Very high | 138 Ų | 138 | 43.5 Ų | 43.5 | 74% | 0.738 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.4 | -14.4 | 174.1 | -58.9 | -9.8 | 0 | 0 | 0 | 114.3 | H197 | H197-N199 PolarHBondContact O-N 2.72Å; H197-N199 VanDerWaalsContact O-N 3.14Å |
| 200 | I | 80.6 | Confident | 91.1 | Very high | 47 Ų | 47 | 46 Ų | 46 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -118.4 | -41.9 | -176.5 | -58.2 | 174.3 | 0 | 0 | 0 | 111 | P36 K40 I172 H197 T198 | P36-I200 HydrophobicContact CB-CG1 4.46Å; K40-I200 HydrophobicContact CD-CG2 4.09Å; I172-I200 HydrophobicContact CD1-CB 4.35Å; I172-I200 HydrophobicContact CD1-CD1 3.73Å; I172-I200 HydrophobicContact CD1-CG2 4.13Å; H197-I200 WeakPolarHBondContact O-CA 3.43Å; H197-I200 PolarHBondContact O-N 2.93Å; T198-I200 PolarHBondContact O-N 3.32Å; T198-I200 VanDerWaalsContact O-N 3.11Å |
| 201 | L | 86.8 | Confident | 91 | Very high | 11 Ų | 11 | 46.4 Ų | 46.4 | 6% | 0.058 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -98.7 | -16 | -171.2 | -57.6 | -175.5 | 0 | 0 | 0 | 113.9 | I172 E196 H197 E207 I208 A211 | I172-L201 HydrophobicContact CG1-CD1 4.39Å; I172-L201 HydrophobicContact CG1-CD2 4.13Å; I172-L201 HydrophobicContact CG1-CG 4.45Å; E196-L201 HydrophobicContact CG-CD1 4.25Å; H197-L201 HydrophobicContact CB-CD1 4.06Å; H197-L201 HydrophobicContact CB-CG 4.06Å; H197-L201 PolarHBondContact O-N 3.25Å; L201-E207 CarbonylContact O-C 3.53Å; L201-E207 WeakPolarHBondContact O-CB 3.47Å; L201-I208 HydrophobicContact CB-CG1 4.05Å; L201-A211 HydrophobicContact CD2-CB 4.01Å |
| 202 | G | 88 | Confident | 91 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | trans | 111 | 169.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T198 E207 | T198-G202 WeakPolarHBondContact CA-O 3.21Å; T198-G202 WeakPolarHBondContact CB-O 3.35Å; T198-G202 WeakPolarHBondContact CG2-O 3.49Å; T198-G202 CarbonylContact O-C 3.54Å; T198-G202 PolarHBondContact O-N 2.92Å; T198-G202 VanDerWaalsContact O-N 3.08Å; G202-E207 WeakPolarHBondContact CA-OE2 3.35Å | ||
| 203 | H | 92.4 | Very high | 91.1 | Very high | 131 Ų | 131 | 45.1 Ų | 45.1 | 61% | 0.606 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -98.8 | -5.2 | -172.9 | -62.4 | -78.4 | 0 | 0 | 0 | 113.3 | E207 | H203-E207 PolarHBondContact N-OE2 3.01Š|
| 204 | T | 95.1 | Very high | 91.2 | Very high | 63 Ų | 63 | 44.3 Ų | 44.3 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -118.4 | 158.6 | -178.4 | 63.7 | 0 | 0 | 0 | 0 | 112.2 | A206 E207 I208 | T204-A206 VanDerWaalsContact C-N 3.27Å; T204-A206 PolarHBondContact O-N 3.37Å; T204-E207 PolarHBondContact N-OE2 3.27Å; T204-E207 PolarHBondContact O-N 2.89Å; T204-E207 WeakPolarHBondContact OG1-CG 3.25Å; T204-E207 PolarHBondContact OG1-N 2.7Å; T204-E207 PolarHBondContact OG1-OE2 2.78Å; T204-I208 WeakPolarHBondContact O-CG1 3.35Å; T204-I208 PolarHBondContact O-N 2.87Å |
| 205 | I | 95.8 | Very high | 91.6 | Very high | 32 Ų | 32 | 42.7 Ų | 42.7 | 16% | 0.164 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -36.4 | 174.1 | -64.7 | -65.1 | 0 | 0 | 0 | 111 | L193 L195 E207 I208 A209 S229 E231 A232 | L193-I205 HydrophobicContact CD1-CG2 4.44Å; L195-I205 HydrophobicContact CD2-CD1 3.86Å; L195-I205 HydrophobicContact CD2-CG1 4.23Å; L195-I205 HydrophobicContact CG-CD1 3.94Å; I205-E207 PolarHBondContact O-N 3.43Å; I205-I208 PolarHBondContact O-N 3.32Å; I205-A209 WeakPolarHBondContact O-CB 3.43Å; I205-A209 PolarHBondContact O-N 2.82Å; I205-S229 WeakPolarHBondContact CG2-OG 3.41Å; I205-E231 HydrophobicContact CG2-CB 4.49Å; I205-A232 HydrophobicContact CG2-CB 3.75Å |
| 206 | A | 96.8 | Very high | 92.2 | Very high | 36 Ų | 36 | 37.8 Ų | 37.8 | 30% | 0.298 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | T204 I208 A209 W210 | T204-A206 VanDerWaalsContact C-N 3.27Å; T204-A206 PolarHBondContact O-N 3.37Å; A206-I208 VanDerWaalsContact C-N 3.35Å; A206-I208 PolarHBondContact O-N 2.88Å; A206-A209 PolarHBondContact O-N 2.77Å; A206-W210 WeakPolarHBondContact O-CB 3.42Å; A206-W210 PolarHBondContact O-N 2.84Å |
| 207 | E | 96.6 | Very high | 92.9 | Very high | 68 Ų | 68 | 38.1 Ų | 38.1 | 32% | 0.318 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.6 | -38.8 | 176.3 | -70.2 | 167.8 | 119.4 | 0 | 0 | 112.2 | L201 G202 H203 T204 I205 W210 A211 | L201-E207 CarbonylContact O-C 3.53Å; L201-E207 WeakPolarHBondContact O-CB 3.47Å; G202-E207 WeakPolarHBondContact CA-OE2 3.35Å; H203-E207 PolarHBondContact N-OE2 3.01Å; T204-E207 PolarHBondContact N-OE2 3.27Å; T204-E207 PolarHBondContact O-N 2.89Å; T204-E207 WeakPolarHBondContact OG1-CG 3.25Å; T204-E207 PolarHBondContact OG1-N 2.7Å; T204-E207 PolarHBondContact OG1-OE2 2.78Å; I205-E207 PolarHBondContact O-N 3.43Å; E207-W210 WeakPolarHBondContact O-CB 3.45Å; E207-W210 PolarHBondContact O-N 3.31Å; E207-A211 WeakPolarHBondContact O-CB 3.48Å; E207-A211 PolarHBondContact O-N 2.84Å |
| 208 | I | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.7 | -42.3 | 175.5 | -67.6 | 177 | 0 | 0 | 0 | 110.8 | L193 A194 L195 L201 T204 I205 A206 A211 K212 | L193-I208 HydrophobicContact CD1-CG2 4.47Å; A194-I208 WeakPolarHBondContact O-CD1 3.49Å; L195-I208 HydrophobicContact CD2-CD1 3.87Å; L201-I208 HydrophobicContact CB-CG1 4.05Å; T204-I208 WeakPolarHBondContact O-CG1 3.35Å; T204-I208 PolarHBondContact O-N 2.87Å; I205-I208 PolarHBondContact O-N 3.32Å; A206-I208 VanDerWaalsContact C-N 3.35Å; A206-I208 PolarHBondContact O-N 2.88Å; I208-A211 PolarHBondContact O-N 2.8Å; I208-K212 HydrophobicContact CG2-CD 3.91Å; I208-K212 WeakPolarHBondContact O-CB 3.16Å; I208-K212 VanDerWaalsContact O-CG 3.31Å; I208-K212 WeakPolarHBondContact O-CG 3.25Å; I208-K212 PolarHBondContact O-N 2.99Å |
| 209 | A | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | L193 I205 A206 A211 K212 A213 A232 K235 F236 | L193-A209 HydrophobicContact CD1-CB 3.74Å; I205-A209 WeakPolarHBondContact O-CB 3.43Å; I205-A209 PolarHBondContact O-N 2.82Å; A206-A209 PolarHBondContact O-N 2.77Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A209-A211 PolarHBondContact O-N 3.2Å; A209-K212 PolarHBondContact O-N 2.82Å; A209-K212 VanDerWaalsContact O-N 3.17Å; A209-A213 VanDerWaalsContact O-CB 3.24Å; A209-A213 WeakPolarHBondContact O-CB 3.5Å; A209-A213 PolarHBondContact O-N 3.25Å; A209-A232 HydrophobicContact CB-CB 4.19Å; A209-K235 HydrophobicContact CB-CB 3.9Å; A209-K235 HydrophobicContact CB-CG 4.18Å; A209-F236 HydrophobicContact CB-CD1 4.15Å; A209-F236 HydrophobicContact CB-CE1 3.7Å; A209-F236 HydrophobicContact CB-CZ 4.09Å |
| 210 | W | 97.9 | Very high | 94.4 | Very high | 52 Ų | 52 | 30.8 Ų | 30.8 | 20% | 0.197 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.2 | -45.4 | 174.2 | 177.5 | 80.2 | 0 | 0 | 0 | 112.7 | R37 R175 Y176 A206 E207 K212 G214 K235 | R37-W210 VanDerWaalsContact NH2-CZ3 3.27Å; R175-W210 PolarHBondContact NE-O 3.41Å; R175-W210 VanDerWaalsContact NH1-NE1 3.19Å; R175-W210 VanDerWaalsContact NH2-NE1 3.15Å; R175-W210 PolarHBondContact NH2-O 3.37Å; Y176-W210 AromaticContact CE2-CH2 3.86Å; Y176-W210 HydrophobicContact CE2-CH2 3.86Å; Y176-W210 HydrophobicContact CE2-CZ3 4.05Å; A206-W210 WeakPolarHBondContact O-CB 3.42Å; A206-W210 PolarHBondContact O-N 2.84Å; E207-W210 WeakPolarHBondContact O-CB 3.45Å; E207-W210 PolarHBondContact O-N 3.31Å; W210-K212 VanDerWaalsContact C-N 3.31Å; W210-K212 PolarHBondContact O-N 2.81Å; W210-G214 PolarHBondContact O-N 3.43Å; W210-K235 HydrophobicContact CB-CD 4.38Å; W210-K235 HydrophobicContact CB-CG 3.95Å |
| 211 | A | 97 | Very high | 95.1 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 7% | 0.066 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.9 | -36.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G173 G174 R175 L201 E207 I208 A209 | G173-A211 CarbonylContact C-O 3.6Å; G174-A211 CarbonylContact C-O 3.59Å; G174-A211 WeakPolarHBondContact CA-O 3.47Å; G174-A211 PolarHBondContact N-O 3.35Å; R175-A211 WeakPolarHBondContact CB-O 3.24Å; R175-A211 PolarHBondContact N-O 2.8Å; L201-A211 HydrophobicContact CD2-CB 4.01Å; E207-A211 WeakPolarHBondContact O-CB 3.48Å; E207-A211 PolarHBondContact O-N 2.84Å; I208-A211 PolarHBondContact O-N 2.8Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A209-A211 PolarHBondContact O-N 3.2Å |
| 212 | K | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -79 | -44 | -179.5 | -73.6 | 174 | -171.5 | -57.6 | 0 | 112.5 | T70 G71 S72 G173 V190 L193 E196 I208 A209 W210 G214 I215 | T70-K212 HydrophobicContact CG2-CB 3.72Å; T70-K212 HydrophobicContact CG2-CG 4.1Å; G71-K212 PolarHBondContact O-NZ 3.1Å; S72-K212 VanDerWaalsContact OG-CE 3.26Å; S72-K212 WeakPolarHBondContact OG-CE 3.31Å; G173-K212 WeakPolarHBondContact O-CA 3.27Å; G173-K212 VanDerWaalsContact O-CG 3.31Å; G173-K212 WeakPolarHBondContact O-CG 3.2Å; V190-K212 HydrophobicContact CG1-CB 4.25Å; V190-K212 HydrophobicContact CG1-CD 4.35Å; L193-K212 HydrophobicContact CD2-CD 3.16Å; L193-K212 HydrophobicContact CG-CD 4.46Å; E196-K212 IonicContact OE1-NZ 2.66Å; E196-K212 PolarHBondContact OE1-NZ 3.05Å; I208-K212 HydrophobicContact CG2-CD 3.91Å; I208-K212 WeakPolarHBondContact O-CB 3.16Å; I208-K212 VanDerWaalsContact O-CG 3.31Å; I208-K212 WeakPolarHBondContact O-CG 3.25Å; I208-K212 PolarHBondContact O-N 2.99Å; A209-K212 PolarHBondContact O-N 2.82Å; A209-K212 VanDerWaalsContact O-N 3.17Å; W210-K212 VanDerWaalsContact C-N 3.31Å; W210-K212 PolarHBondContact O-N 2.81Å; K212-G214 PolarHBondContact O-N 2.98Å; K212-I215 WeakPolarHBondContact O-CG1 3.46Å; K212-I215 PolarHBondContact O-N 2.91Å |
| 213 | A | 98.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.017 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -11.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | A209 I215 F216 F236 E239 | A209-A213 VanDerWaalsContact O-CB 3.24Å; A209-A213 WeakPolarHBondContact O-CB 3.5Å; A209-A213 PolarHBondContact O-N 3.25Å; A213-I215 PolarHBondContact O-N 3.26Å; A213-F216 HydrophobicContact CB-CD2 3.83Å; A213-F216 HydrophobicContact CB-CE2 3.7Å; A213-F216 HydrophobicContact CB-CG 4.4Å; A213-F216 HydrophobicContact CB-CZ 4.15Å; A213-F216 VanDerWaalsContact O-CB 3.22Å; A213-F216 WeakPolarHBondContact O-CB 3.39Å; A213-F216 VanDerWaalsContact O-CG 3.24Å; A213-F216 WeakPolarHBondContact O-CG 3.46Å; A213-F216 PolarHBondContact O-N 3.32Å; A213-F236 HydrophobicContact CB-CD1 3.87Å; A213-F236 HydrophobicContact CB-CE1 4.21Å; A213-E239 HydrophobicContact CB-CB 3.74Å; A213-E239 HydrophobicContact CB-CG 3.81Å |
| 214 | G | 97.7 | Very high | 96.4 | Very high | 12 Ų | 12 | 21.8 Ų | 21.8 | 12% | 0.124 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -5.5 | 172 | 0 | 0 | 0 | 0 | 0 | 115.1 | N180 W210 K212 | N180-G214 PolarHBondContact ND2-O 3.26Å; W210-G214 PolarHBondContact O-N 3.43Å; K212-G214 PolarHBondContact O-N 2.98Å |
| 215 | I | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -12.1 | 166.7 | 70.9 | 169.1 | 0 | 0 | 0 | 113.3 | H68 T70 V170 T188 K212 A213 K217 | H68-I215 HydrophobicContact CB-CD1 4.45Å; H68-I215 WeakPolarHBondContact O-CD1 3.47Å; T70-I215 HydrophobicContact CG2-CD1 3.63Å; T70-I215 HydrophobicContact CG2-CG1 4.17Å; V170-I215 HydrophobicContact CG2-CG2 4.06Å; T188-I215 HydrophobicContact CG2-CG1 4.42Å; T188-I215 WeakPolarHBondContact CG2-O 3.11Å; K212-I215 WeakPolarHBondContact O-CG1 3.46Å; K212-I215 PolarHBondContact O-N 2.91Å; A213-I215 PolarHBondContact O-N 3.26Å; I215-K217 WeakPolarHBondContact O-CG 3.22Å |
| 216 | F | 98.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | trans | -63.2 | 136.8 | 173.9 | -62 | -12 | 0 | 0 | 0 | 109.2 | T188 V190 A213 A222 V224 F236 E239 A240 V243 L247 | T188-F216 WeakPolarHBondContact OG1-CD1 3.42Å; V190-F216 HydrophobicContact CG2-CE1 3.7Å; V190-F216 HydrophobicContact CG2-CZ 3.95Å; A213-F216 HydrophobicContact CB-CD2 3.83Å; A213-F216 HydrophobicContact CB-CE2 3.7Å; A213-F216 HydrophobicContact CB-CG 4.4Å; A213-F216 HydrophobicContact CB-CZ 4.15Å; A213-F216 VanDerWaalsContact O-CB 3.22Å; A213-F216 WeakPolarHBondContact O-CB 3.39Å; A213-F216 VanDerWaalsContact O-CG 3.24Å; A213-F216 WeakPolarHBondContact O-CG 3.46Å; A213-F216 PolarHBondContact O-N 3.32Å; F216-A222 HydrophobicContact CD1-CB 3.67Å; F216-A222 HydrophobicContact CD2-CB 4.32Å; F216-A222 HydrophobicContact CE1-CB 3.61Å; F216-A222 HydrophobicContact CE2-CB 4.27Å; F216-A222 HydrophobicContact CG-CB 4.05Å; F216-A222 HydrophobicContact CZ-CB 3.93Å; F216-V224 HydrophobicContact CZ-CG1 4.1Å; F216-F236 HydrophobicContact CE2-CB 4.27Å; F216-F236 HydrophobicContact CE2-CD1 4.3Å; F216-F236 HydrophobicContact CZ-CD1 4.24Å; F216-E239 HydrophobicContact CD2-CB 4.24Å; F216-A240 HydrophobicContact CD2-CB 4.26Å; F216-A240 HydrophobicContact CE2-CB 4.46Å; F216-V243 HydrophobicContact CB-CG2 3.86Å; F216-L247 HydrophobicContact CE2-CD1 4.31Å; F216-L247 HydrophobicContact CZ-CD1 4.12Å | ||
| 217 | K | 96.6 | Very high | 96.5 | Very high | 39 Ų | 39 | 22.5 Ų | 22.5 | 17% | 0.17 | 14% | 0.143 | C | C | . | . | trans | -136.7 | 151.5 | -177.3 | -58.7 | -62 | 163.8 | 82.7 | 0 | 111 | N180 F182 K183 P185 I215 G219 S220 C245 | N180-K217 VanDerWaalsContact OD1-CE 3.27Å; N180-K217 WeakPolarHBondContact OD1-CE 3.3Å; N180-K217 PolarHBondContact OD1-NZ 2.97Å; F182-K217 PolarHBondContact O-NZ 3.39Å; K183-K217 WeakPolarHBondContact O-CB 3.03Å; P185-K217 HydrophobicContact CG-CB 4.38Å; P185-K217 HydrophobicContact CG-CG 4.07Å; I215-K217 WeakPolarHBondContact O-CG 3.22Å; K217-G219 PolarHBondContact O-N 3.26Å; K217-S220 VanDerWaalsContact O-CB 3.29Å; K217-S220 WeakPolarHBondContact O-CB 3.42Å; K217-S220 PolarHBondContact O-N 3.06Å; K217-S220 VanDerWaalsContact O-N 3.15Å; K217-C245 WeakPolarHBondContact O-CB 3.24Å | ||
| 218 | T | 94.1 | Very high | 96.4 | Very high | 90 Ų | 90 | 20.4 Ų | 20.4 | 55% | 0.552 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 131.4 | 174.7 | -52.8 | 0 | 0 | 0 | 0 | 110.7 | S220 V243 | T218-S220 PolarHBondContact O-N 2.79Å; T218-V243 WeakPolarHBondContact CA-O 3.28Å; T218-V243 WeakPolarHBondContact CB-O 3.31Å; T218-V243 PolarHBondContact OG1-O 2.59Å |
| 219 | G | 85.5 | Confident | 96.4 | Very high | 43 Ų | 43 | 22.9 Ų | 22.9 | 44% | 0.443 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -10.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | K217 K297 | K217-G219 PolarHBondContact O-N 3.26Å; G219-K297 WeakPolarHBondContact O-CE 3.45Å; G219-K297 PolarHBondContact O-NZ 3.37Å |
| 220 | S | 94.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -83.7 | 153.6 | 174.8 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | P185 K217 T218 C245 P246 | P185-S220 VanDerWaalsContact CD-OG 3.26Å; P185-S220 WeakPolarHBondContact CD-OG 3.18Å; P185-S220 WeakPolarHBondContact CG-OG 3.22Å; P185-S220 WeakPolarHBondContact O-CA 3.36Å; P185-S220 WeakPolarHBondContact O-CB 3.49Å; P185-S220 PolarHBondContact O-OG 3.3Å; K217-S220 VanDerWaalsContact O-CB 3.29Å; K217-S220 WeakPolarHBondContact O-CB 3.42Å; K217-S220 PolarHBondContact O-N 3.06Å; K217-S220 VanDerWaalsContact O-N 3.15Å; T218-S220 PolarHBondContact O-N 2.79Å; S220-C245 WeakPolarHBondContact O-CB 3.47Å; S220-P246 WeakPolarHBondContact O-CD 3.41Å |
| 221 | I | 95.9 | Very high | 96.4 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 130.4 | 167.6 | -62.3 | 173.7 | 0 | 0 | 0 | 109 | C186 V187 T188 V223 P246 Y248 Y293 T302 | C186-I221 PolarHBondContact O-N 2.85Å; C186-I221 VanDerWaalsContact O-N 3.15Å; V187-I221 CarbonylContact C-O 3.52Å; V187-I221 WeakPolarHBondContact CA-O 3.43Å; V187-I221 HydrophobicContact CG2-CB 4.47Å; T188-I221 PolarHBondContact N-O 3.1Å; T188-I221 PolarHBondContact OG1-O 2.99Å; I221-V223 HydrophobicContact CG2-CG2 3.96Å; I221-P246 HydrophobicContact CG1-CG 4.18Å; I221-Y248 HydrophobicContact CG2-CD2 3.6Å; I221-Y248 HydrophobicContact CG2-CE2 3.78Å; I221-Y293 HydrophobicContact CD1-CD1 3.88Å; I221-Y293 HydrophobicContact CD1-CG 4.22Å; I221-Y293 HydrophobicContact CG2-CD1 4.26Å; I221-Y293 HydrophobicContact CG2-CD2 4.38Å; I221-Y293 HydrophobicContact CG2-CG 4.01Å; I221-T302 HydrophobicContact CD1-CG2 4.06Å |
| 222 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 131.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | T188 F216 P246 L247 Y248 | T188-A222 CarbonylContact O-C 3.51Å; T188-A222 WeakPolarHBondContact O-CA 3.44Å; T188-A222 WeakPolarHBondContact OG1-CA 3.48Å; F216-A222 HydrophobicContact CD1-CB 3.67Å; F216-A222 HydrophobicContact CD2-CB 4.32Å; F216-A222 HydrophobicContact CE1-CB 3.61Å; F216-A222 HydrophobicContact CE2-CB 4.27Å; F216-A222 HydrophobicContact CG-CB 4.05Å; F216-A222 HydrophobicContact CZ-CB 3.93Å; A222-P246 WeakPolarHBondContact CB-O 3.49Å; A222-P246 PolarHBondContact N-O 3.47Å; A222-L247 HydrophobicContact CB-CD1 3.95Å; A222-L247 CarbonylContact O-C 3.51Å; A222-L247 WeakPolarHBondContact O-CA 3.29Å; A222-Y248 PolarHBondContact O-N 2.84Å |
| 223 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.8 | 176.3 | -169.2 | 0 | 0 | 0 | 0 | 109.5 | V187 T188 V189 V190 I221 Y248 A250 L286 T289 Y293 | V187-V223 HydrophobicContact CG1-CG2 3.74Å; T188-V223 PolarHBondContact O-N 3.02Å; V189-V223 CarbonylContact C-O 3.54Å; V189-V223 VanDerWaalsContact CA-O 3.25Å; V189-V223 WeakPolarHBondContact CA-O 3.23Å; V190-V223 PolarHBondContact N-O 2.98Å; I221-V223 HydrophobicContact CG2-CG2 3.96Å; V223-Y248 CarbonylContact C-O 3.58Å; V223-Y248 VanDerWaalsContact CA-O 3.32Å; V223-Y248 WeakPolarHBondContact CA-O 3.43Å; V223-A250 HydrophobicContact CG1-CB 4.34Å; V223-L286 HydrophobicContact CB-CD1 4.38Å; V223-L286 HydrophobicContact CG1-CD1 3.62Å; V223-T289 HydrophobicContact CG1-CG2 3.96Å; V223-Y293 HydrophobicContact CG2-CD2 3.78Å; V223-Y293 HydrophobicContact CG2-CE2 4.37Å |
| 224 | V | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 148.4 | 177.1 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | V190 F216 M233 F236 L247 Y248 V249 A250 | V190-V224 HydrophobicContact CB-CB 4.44Å; V190-V224 HydrophobicContact CB-CG1 3.92Å; V190-V224 HydrophobicContact CG2-CG1 4.1Å; V190-V224 CarbonylContact O-C 3.52Å; V190-V224 WeakPolarHBondContact O-CA 3.48Å; F216-V224 HydrophobicContact CZ-CG1 4.1Å; V224-M233 HydrophobicContact CG2-CE 4.46Å; V224-M233 HydrophobicContact CG2-SD 3.99Å; V224-F236 HydrophobicContact CB-CD2 4.3Å; V224-F236 HydrophobicContact CB-CE2 4.32Å; V224-F236 HydrophobicContact CG1-CD2 3.85Å; V224-F236 HydrophobicContact CG1-CE2 4.05Å; V224-F236 HydrophobicContact CG1-CG 4.25Å; V224-F236 HydrophobicContact CG2-CD2 4.4Å; V224-L247 HydrophobicContact CG1-CD1 3.69Å; V224-L247 HydrophobicContact CG2-CD1 4.26Å; V224-Y248 PolarHBondContact N-O 3.36Å; V224-V249 HydrophobicContact CG2-CB 4.4Å; V224-V249 HydrophobicContact CG2-CG1 4.49Å; V224-V249 HydrophobicContact CG2-CG2 3.92Å; V224-A250 PolarHBondContact O-N 2.97Å |
| 225 | S | 97.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | trans | -53.6 | 146.3 | 173.7 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | V190 Q228 | V190-S225 PolarHBondContact O-N 3.07Å; S225-Q228 WeakPolarHBondContact O-CG 3.48Å | ||
| 226 | H | 95.8 | Very high | 96.5 | Very high | 81 Ų | 81 | 41.1 Ų | 41.1 | 38% | 0.375 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 153.2 | 163.4 | -165.5 | 72.5 | 0 | 0 | 0 | 111 | A250 L282 | H226-A250 VanDerWaalsContact CB-O 3.31Å; H226-A250 WeakPolarHBondContact CB-O 3.34Å; H226-L282 HydrophobicContact CB-CD2 3.94Å |
| 227 | G | 94.8 | Very high | 96.5 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 67% | 0.67 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 25.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 228 | Q | 95.9 | Very high | 96.6 | Very high | 24 Ų | 24 | 45.2 Ų | 45.2 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | trans | -67.3 | 150.8 | 168.3 | -60.7 | -69.3 | 1.8 | 0 | 0 | 110.2 | T191 S225 A232 M233 F236 | T191-Q228 PolarHBondContact O-NE2 2.94Å; S225-Q228 WeakPolarHBondContact O-CG 3.48Å; Q228-A232 HydrophobicContact CB-CB 4.18Å; Q228-M233 HydrophobicContact CB-CG 3.79Å; Q228-M233 HydrophobicContact CB-SD 3.8Å; Q228-M233 HydrophobicContact CG-SD 4.14Å; Q228-F236 HydrophobicContact CG-CE2 3.97Å | ||
| 229 | S | 96.5 | Very high | 96.8 | Very high | 51 Ų | 51 | 41.3 Ų | 41.3 | 36% | 0.357 | 23% | 0.233 | S | C | . | . | trans | -67.9 | 159.3 | 173.1 | 66 | 0 | 0 | 0 | 0 | 111.5 | I205 E231 A232 M233 | I205-S229 WeakPolarHBondContact CG2-OG 3.41Å; S229-E231 PolarHBondContact O-N 3.21Å; S229-A232 WeakPolarHBondContact O-CB 3.31Å; S229-A232 PolarHBondContact O-N 3.15Å; S229-A232 PolarHBondContact OG-N 2.97Å; S229-M233 PolarHBondContact O-N 3.41Å | ||
| 230 | D | 97.6 | Very high | 97.4 | Very high | 145 Ų | 145 | 39.2 Ų | 39.2 | 78% | 0.775 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -57.1 | -40.3 | 176.8 | -63.4 | -20.3 | 0 | 0 | 0 | 111.8 | A232 M233 H234 | D230-A232 VanDerWaalsContact C-N 3.35Å; D230-A232 PolarHBondContact O-N 3.49Å; D230-M233 PolarHBondContact O-N 2.91Å; D230-H234 WeakPolarHBondContact O-CB 3.37Å; D230-H234 PolarHBondContact O-N 2.66Å |
| 231 | E | 97.1 | Very high | 97.5 | Very high | 115 Ų | 115 | 44.2 Ų | 44.2 | 54% | 0.537 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.8 | -42.9 | 175.5 | -63 | 172.6 | -178.5 | 0 | 0 | 112.3 | I205 S229 K235 | I205-E231 HydrophobicContact CG2-CB 4.49Å; S229-E231 PolarHBondContact O-N 3.21Å; E231-K235 PolarHBondContact O-N 3.32Å |
| 232 | A | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.7 | -46.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L193 I205 A209 Q228 S229 D230 K235 F236 | L193-A232 HydrophobicContact CD1-CB 3.79Å; I205-A232 HydrophobicContact CG2-CB 3.75Å; A209-A232 HydrophobicContact CB-CB 4.19Å; Q228-A232 HydrophobicContact CB-CB 4.18Å; S229-A232 WeakPolarHBondContact O-CB 3.31Å; S229-A232 PolarHBondContact O-N 3.15Å; S229-A232 PolarHBondContact OG-N 2.97Å; D230-A232 VanDerWaalsContact C-N 3.35Å; D230-A232 PolarHBondContact O-N 3.49Å; A232-K235 PolarHBondContact O-N 2.95Å; A232-F236 HydrophobicContact CB-CE2 4.12Å; A232-F236 VanDerWaalsContact O-CD2 3.3Å; A232-F236 WeakPolarHBondContact O-CD2 3.48Å; A232-F236 VanDerWaalsContact O-CG 3.23Å; A232-F236 WeakPolarHBondContact O-CG 3.49Å; A232-F236 PolarHBondContact O-N 3.12Å |
| 233 | M | 98.3 | Very high | 97.4 | Very high | 33 Ų | 33 | 51.3 Ų | 51.3 | 16% | 0.163 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -44.9 | -180 | -77.1 | -54.7 | -56.6 | 0 | 0 | 112 | V224 Q228 S229 D230 K235 F236 I237 V249 L312 | V224-M233 HydrophobicContact CG2-CE 4.46Å; V224-M233 HydrophobicContact CG2-SD 3.99Å; Q228-M233 HydrophobicContact CB-CG 3.79Å; Q228-M233 HydrophobicContact CB-SD 3.8Å; Q228-M233 HydrophobicContact CG-SD 4.14Å; S229-M233 PolarHBondContact O-N 3.41Å; D230-M233 PolarHBondContact O-N 2.91Å; M233-K235 PolarHBondContact O-N 3.37Å; M233-F236 PolarHBondContact O-N 3.32Å; M233-F236 VanDerWaalsContact O-N 3.16Å; M233-F236 HydrophobicContact SD-CD2 4.13Å; M233-I237 VanDerWaalsContact O-CG1 3.24Å; M233-I237 WeakPolarHBondContact O-CG1 3.35Å; M233-I237 PolarHBondContact O-N 3.44Å; M233-V249 HydrophobicContact CE-CG2 3.55Å; M233-V249 HydrophobicContact SD-CG2 4.23Å; M233-L312 HydrophobicContact CE-CD1 4.22Å |
| 234 | H | 98.3 | Very high | 97.2 | Very high | 135 Ų | 135 | 55.5 Ų | 55.5 | 63% | 0.625 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -55.4 | -45 | 176.1 | -174.7 | 70.2 | 0 | 0 | 0 | 110.9 | D230 I237 E238 | D230-H234 WeakPolarHBondContact O-CB 3.37Å; D230-H234 PolarHBondContact O-N 2.66Å; H234-I237 PolarHBondContact O-N 3.07Å; H234-E238 PolarHBondContact O-N 3.2Å; H234-E238 VanDerWaalsContact O-N 3.07Å |
| 235 | K | 98.5 | Very high | 97.1 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 13% | 0.13 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.9 | -36.3 | 179.1 | -162.7 | 47.2 | 158.2 | 153.4 | 0 | 113.2 | A209 W210 E231 A232 M233 I237 E238 E239 | A209-K235 HydrophobicContact CB-CB 3.9Å; A209-K235 HydrophobicContact CB-CG 4.18Å; W210-K235 HydrophobicContact CB-CD 4.38Å; W210-K235 HydrophobicContact CB-CG 3.95Å; E231-K235 PolarHBondContact O-N 3.32Å; A232-K235 PolarHBondContact O-N 2.95Å; M233-K235 PolarHBondContact O-N 3.37Å; K235-I237 VanDerWaalsContact C-N 3.34Å; K235-E238 HydrophobicContact CD-CB 4.49Å; K235-E238 WeakPolarHBondContact CD-OE2 3.31Å; K235-E238 WeakPolarHBondContact CE-OE2 3.48Å; K235-E238 IonicContact NZ-OE1 3.86Å; K235-E238 PolarHBondContact NZ-OE1 3.34Å; K235-E238 IonicContact NZ-OE2 3.77Å; K235-E238 PolarHBondContact NZ-OE2 3.16Å; K235-E238 PolarHBondContact O-N 3.34Å; K235-E239 HydrophobicContact CD-CG 4.36Å; K235-E239 IonicContact NZ-OE1 3.41Å; K235-E239 PolarHBondContact NZ-OE1 2.97Å; K235-E239 VanDerWaalsContact O-CG 3.25Å; K235-E239 WeakPolarHBondContact O-CG 3.29Å; K235-E239 PolarHBondContact O-N 3.29Å |
| 236 | F | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 174.4 | -65.8 | -30.5 | 0 | 0 | 0 | 112.7 | V190 L193 A209 A213 F216 V224 Q228 A232 M233 A240 L247 | V190-F236 HydrophobicContact CB-CZ 4.17Å; V190-F236 HydrophobicContact CG1-CE1 4.17Å; V190-F236 HydrophobicContact CG1-CE2 4.42Å; V190-F236 HydrophobicContact CG1-CZ 3.61Å; V190-F236 HydrophobicContact CG2-CE1 4.35Å; V190-F236 HydrophobicContact CG2-CZ 4.41Å; L193-F236 HydrophobicContact CD1-CE1 4.32Å; L193-F236 HydrophobicContact CD1-CE2 4.21Å; L193-F236 HydrophobicContact CD1-CZ 3.55Å; L193-F236 HydrophobicContact CD2-CZ 4.35Å; L193-F236 HydrophobicContact CG-CZ 4.08Å; A209-F236 HydrophobicContact CB-CD1 4.15Å; A209-F236 HydrophobicContact CB-CE1 3.7Å; A209-F236 HydrophobicContact CB-CZ 4.09Å; A213-F236 HydrophobicContact CB-CD1 3.87Å; A213-F236 HydrophobicContact CB-CE1 4.21Å; F216-F236 HydrophobicContact CE2-CB 4.27Å; F216-F236 HydrophobicContact CE2-CD1 4.3Å; F216-F236 HydrophobicContact CZ-CD1 4.24Å; V224-F236 HydrophobicContact CB-CD2 4.3Å; V224-F236 HydrophobicContact CB-CE2 4.32Å; V224-F236 HydrophobicContact CG1-CD2 3.85Å; V224-F236 HydrophobicContact CG1-CE2 4.05Å; V224-F236 HydrophobicContact CG1-CG 4.25Å; V224-F236 HydrophobicContact CG2-CD2 4.4Å; Q228-F236 HydrophobicContact CG-CE2 3.97Å; A232-F236 HydrophobicContact CB-CE2 4.12Å; A232-F236 VanDerWaalsContact O-CD2 3.3Å; A232-F236 WeakPolarHBondContact O-CD2 3.48Å; A232-F236 VanDerWaalsContact O-CG 3.23Å; A232-F236 WeakPolarHBondContact O-CG 3.49Å; A232-F236 PolarHBondContact O-N 3.12Å; M233-F236 PolarHBondContact O-N 3.32Å; M233-F236 VanDerWaalsContact O-N 3.16Å; M233-F236 HydrophobicContact SD-CD2 4.13Å; F236-A240 VanDerWaalsContact O-CB 3.24Å; F236-A240 WeakPolarHBondContact O-CB 3.29Å; F236-A240 PolarHBondContact O-N 3.01Å; F236-L247 HydrophobicContact CB-CD2 3.85Å |
| 237 | I | 98.3 | Very high | 97 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -50.7 | 176.9 | -65.8 | 165.7 | 0 | 0 | 0 | 109.9 | M233 H234 K235 E239 A240 E241 L247 L312 | M233-I237 VanDerWaalsContact O-CG1 3.24Å; M233-I237 WeakPolarHBondContact O-CG1 3.35Å; M233-I237 PolarHBondContact O-N 3.44Å; H234-I237 PolarHBondContact O-N 3.07Å; K235-I237 VanDerWaalsContact C-N 3.34Å; I237-E239 VanDerWaalsContact C-N 3.33Å; I237-E239 PolarHBondContact O-N 2.85Å; I237-A240 PolarHBondContact O-N 3.49Å; I237-E241 HydrophobicContact CG2-CG 4.48Å; I237-E241 WeakPolarHBondContact O-CG 3.35Å; I237-E241 PolarHBondContact O-N 3.33Å; I237-L247 HydrophobicContact CG1-CD2 3.94Å; I237-L312 HydrophobicContact CD1-CB 4.47Å; I237-L312 HydrophobicContact CD1-CD2 4.11Å; I237-L312 HydrophobicContact CG1-CB 4.21Å |
| 238 | E | 98.2 | Very high | 97.1 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 41% | 0.407 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55 | -47.6 | 178.1 | -173.2 | -164.7 | 155.2 | 0 | 0 | 111.8 | H234 K235 E241 L242 | H234-E238 PolarHBondContact O-N 3.2Å; H234-E238 VanDerWaalsContact O-N 3.07Å; K235-E238 HydrophobicContact CD-CB 4.49Å; K235-E238 WeakPolarHBondContact CD-OE2 3.31Å; K235-E238 WeakPolarHBondContact CE-OE2 3.48Å; K235-E238 IonicContact NZ-OE1 3.86Å; K235-E238 PolarHBondContact NZ-OE1 3.34Å; K235-E238 IonicContact NZ-OE2 3.77Å; K235-E238 PolarHBondContact NZ-OE2 3.16Å; K235-E238 PolarHBondContact O-N 3.34Å; E238-E241 PolarHBondContact O-N 2.88Å; E238-L242 WeakPolarHBondContact O-CB 3.49Å; E238-L242 PolarHBondContact O-N 3.33Å |
| 239 | E | 98.2 | Very high | 97.2 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.1 | -35.8 | -179.1 | -63.9 | -62.7 | 138.6 | 0 | 0 | 112.5 | R175 A213 F216 K235 I237 L242 V243 | R175-E239 IonicContact CZ-OE2 3.74Å; R175-E239 IonicContact NH1-OE2 3.81Å; R175-E239 IonicContact NH2-OE1 3.27Å; R175-E239 IonicContact NH2-OE2 3.64Å; R175-E239 PolarHBondContact NH2-OE2 2.9Å; A213-E239 HydrophobicContact CB-CB 3.74Å; A213-E239 HydrophobicContact CB-CG 3.81Å; F216-E239 HydrophobicContact CD2-CB 4.24Å; K235-E239 HydrophobicContact CD-CG 4.36Å; K235-E239 IonicContact NZ-OE1 3.41Å; K235-E239 PolarHBondContact NZ-OE1 2.97Å; K235-E239 VanDerWaalsContact O-CG 3.25Å; K235-E239 WeakPolarHBondContact O-CG 3.29Å; K235-E239 PolarHBondContact O-N 3.29Å; I237-E239 VanDerWaalsContact C-N 3.33Å; I237-E239 PolarHBondContact O-N 2.85Å; E239-L242 PolarHBondContact O-N 3.44Å; E239-V243 WeakPolarHBondContact O-CG2 3.31Å; E239-V243 PolarHBondContact O-N 3.28Å; E239-V243 VanDerWaalsContact O-N 3.15Å |
| 240 | A | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -39.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F216 F236 I237 N244 C245 L247 | F216-A240 HydrophobicContact CD2-CB 4.26Å; F216-A240 HydrophobicContact CE2-CB 4.46Å; F236-A240 VanDerWaalsContact O-CB 3.24Å; F236-A240 WeakPolarHBondContact O-CB 3.29Å; F236-A240 PolarHBondContact O-N 3.01Å; I237-A240 PolarHBondContact O-N 3.49Å; A240-N244 PolarHBondContact O-N 3.48Å; A240-C245 PolarHBondContact O-N 3.44Å; A240-L247 HydrophobicContact CB-CB 3.75Å; A240-L247 HydrophobicContact CB-CD2 4.23Å |
| 241 | E | 96.8 | Very high | 97.1 | Very high | 105 Ų | 105 | 42.5 Ų | 42.5 | 49% | 0.491 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.1 | -44.3 | 173.1 | -71.3 | 174.8 | 175 | 0 | 0 | 111.3 | I237 E238 V243 N244 | I237-E241 HydrophobicContact CG2-CG 4.48Å; I237-E241 WeakPolarHBondContact O-CG 3.35Å; I237-E241 PolarHBondContact O-N 3.33Å; E238-E241 PolarHBondContact O-N 2.88Å; E241-V243 VanDerWaalsContact C-N 3.3Å; E241-V243 PolarHBondContact O-N 3.33Å; E241-N244 PolarHBondContact O-N 2.89Å; E241-N244 VanDerWaalsContact O-N 3.08Å |
| 242 | L | 96.6 | Very high | 96.9 | Very high | 120 Ų | 120 | 39.4 Ų | 39.4 | 63% | 0.628 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -57.2 | -41.8 | 179.3 | -179 | 65.2 | 0 | 0 | 0 | 112.6 | E238 E239 | E238-L242 WeakPolarHBondContact O-CB 3.49Å; E238-L242 PolarHBondContact O-N 3.33Å; E239-L242 PolarHBondContact O-N 3.44Å |
| 243 | V | 95.7 | Very high | 96.7 | Very high | 35 Ų | 35 | 40 Ų | 40 | 21% | 0.212 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 3.2 | 179.3 | -53.4 | 0 | 0 | 0 | 0 | 113.5 | F216 T218 E239 E241 C245 | F216-V243 HydrophobicContact CB-CG2 3.86Å; T218-V243 WeakPolarHBondContact CA-O 3.28Å; T218-V243 WeakPolarHBondContact CB-O 3.31Å; T218-V243 PolarHBondContact OG1-O 2.59Å; E239-V243 WeakPolarHBondContact O-CG2 3.31Å; E239-V243 PolarHBondContact O-N 3.28Å; E239-V243 VanDerWaalsContact O-N 3.15Å; E241-V243 VanDerWaalsContact C-N 3.3Å; E241-V243 PolarHBondContact O-N 3.33Å; V243-C245 HydrophobicContact CG2-CB 4.01Å; V243-C245 VanDerWaalsContact CG2-SG 3.54Å |
| 244 | N | 94.8 | Very high | 96.4 | Very high | 88 Ų | 88 | 44.6 Ų | 44.6 | 47% | 0.471 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 49.5 | -178 | -57 | -73.7 | 0 | 0 | 0 | 113.6 | A240 E241 I310 | A240-N244 PolarHBondContact O-N 3.48Å; E241-N244 PolarHBondContact O-N 2.89Å; E241-N244 VanDerWaalsContact O-N 3.08Å; N244-I310 HydrophobicContact CB-CD1 3.86Å; N244-I310 HydrophobicContact CB-CG1 4.12Å; N244-I310 HydrophobicContact CB-CG2 4.47Å |
| 245 | C | 94.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -115.3 | 148.5 | 175 | 73.2 | 0 | 0 | 0 | 0 | 112.5 | K217 S220 A240 V243 G311 | K217-C245 WeakPolarHBondContact O-CB 3.24Å; S220-C245 WeakPolarHBondContact O-CB 3.47Å; A240-C245 PolarHBondContact O-N 3.44Å; V243-C245 HydrophobicContact CG2-CB 4.01Å; V243-C245 VanDerWaalsContact CG2-SG 3.54Å; C245-G311 PolarHBondContact O-N 3.03Å | ||
| 246 | P | 95.6 | Very high | 96 | Very high | 20 Ų | 20 | 39.4 Ų | 39.4 | 13% | 0.13 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 131.9 | 168.8 | 23.5 | -30.3 | 0 | 0 | 0 | 110.9 | S220 I221 A222 Y248 N309 Q313 | S220-P246 WeakPolarHBondContact O-CD 3.41Å; I221-P246 HydrophobicContact CG1-CG 4.18Å; A222-P246 WeakPolarHBondContact CB-O 3.49Å; A222-P246 PolarHBondContact N-O 3.47Å; P246-Y248 HydrophobicContact CB-CD2 4.45Å; P246-Y248 HydrophobicContact CB-CE2 3.75Å; P246-Y248 HydrophobicContact CG-CE2 4.36Å; P246-N309 VanDerWaalsContact CA-O 3.25Å; P246-N309 WeakPolarHBondContact CA-O 3.38Å; P246-N309 HydrophobicContact CB-CB 4.14Å; P246-N309 WeakPolarHBondContact CB-O 3.41Å; P246-N309 VanDerWaalsContact CD-O 3.24Å; P246-N309 WeakPolarHBondContact CD-O 3.26Å; P246-Q313 HydrophobicContact CB-CG 3.66Å |
| 247 | L | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 120 | 174.8 | 172.7 | 65.5 | 0 | 0 | 0 | 110.3 | F216 A222 V224 F236 I237 A240 G311 L312 Q313 | F216-L247 HydrophobicContact CE2-CD1 4.31Å; F216-L247 HydrophobicContact CZ-CD1 4.12Å; A222-L247 HydrophobicContact CB-CD1 3.95Å; A222-L247 CarbonylContact O-C 3.51Å; A222-L247 WeakPolarHBondContact O-CA 3.29Å; V224-L247 HydrophobicContact CG1-CD1 3.69Å; V224-L247 HydrophobicContact CG2-CD1 4.26Å; F236-L247 HydrophobicContact CB-CD2 3.85Å; I237-L247 HydrophobicContact CG1-CD2 3.94Å; A240-L247 HydrophobicContact CB-CB 3.75Å; A240-L247 HydrophobicContact CB-CD2 4.23Å; L247-G311 PolarHBondContact N-O 3.27Å; L247-L312 HydrophobicContact CD2-CD1 4.35Å; L247-L312 HydrophobicContact CG-CD1 4.36Å; L247-Q313 PolarHBondContact O-N 3.45Å |
| 248 | Y | 97.3 | Very high | 95.6 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 12% | 0.118 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 143.8 | 173.7 | -62.7 | -86.9 | 0 | 0 | 0 | 111 | I221 A222 V223 V224 P246 Y293 Q313 | I221-Y248 HydrophobicContact CG2-CD2 3.6Å; I221-Y248 HydrophobicContact CG2-CE2 3.78Å; A222-Y248 PolarHBondContact O-N 2.84Å; V223-Y248 CarbonylContact C-O 3.58Å; V223-Y248 VanDerWaalsContact CA-O 3.32Å; V223-Y248 WeakPolarHBondContact CA-O 3.43Å; V224-Y248 PolarHBondContact N-O 3.36Å; P246-Y248 HydrophobicContact CB-CD2 4.45Å; P246-Y248 HydrophobicContact CB-CE2 3.75Å; P246-Y248 HydrophobicContact CG-CE2 4.36Å; Y248-Y293 HydrophobicContact CD1-CE1 4.28Å; Y248-Y293 HydrophobicContact CD1-CE2 4.24Å; Y248-Y293 AromaticContact CD1-CZ 3.58Å; Y248-Y293 WeakPolarHBondContact CD1-OH 3.29Å; Y248-Y293 HydrophobicContact CD2-CE1 4.05Å; Y248-Y293 HydrophobicContact CD2-CE2 4.05Å; Y248-Y293 AromaticContact CD2-CZ 3.76Å; Y248-Y293 HydrophobicContact CE1-CE1 4.04Å; Y248-Y293 AromaticContact CE1-CZ 3.77Å; Y248-Y293 WeakPolarHBondContact CE1-OH 3.47Å; Y248-Y293 HydrophobicContact CE2-CD1 4.37Å; Y248-Y293 AromaticContact CE2-CE1 3.79Å; Y248-Y293 HydrophobicContact CE2-CE1 3.79Å; Y248-Y293 AromaticContact CE2-CZ 3.94Å; Y248-Y293 HydrophobicContact CG-CE1 4.27Å; Y248-Y293 AromaticContact CG-CE2 3.82Å; Y248-Y293 HydrophobicContact CG-CE2 3.82Å; Y248-Y293 AromaticContact CG-CZ 3.56Å; Y248-Y293 AromaticContact CZ-CE1 3.8Å; Y248-Y293 AromaticContact CZ-CZ 3.96Å; Y248-Q313 HydrophobicContact CD1-CB 3.46Å; Y248-Q313 VanDerWaalsContact CD1-CB 3.46Å; Y248-Q313 HydrophobicContact CD1-CG 4.28Å; Y248-Q313 HydrophobicContact CD2-CB 4.48Å; Y248-Q313 HydrophobicContact CD2-CG 4.49Å; Y248-Q313 HydrophobicContact CE1-CB 3.18Å; Y248-Q313 HydrophobicContact CE1-CG 3.8Å; Y248-Q313 HydrophobicContact CE2-CB 4.26Å; Y248-Q313 HydrophobicContact CE2-CG 4.04Å; Y248-Q313 HydrophobicContact CG-CB 4.13Å |
| 249 | V | 97.4 | Very high | 95.3 | Very high | 30 Ų | 30 | 43.3 Ų | 43.3 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 127.2 | 166 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | V224 M233 L312 | V224-V249 HydrophobicContact CG2-CB 4.4Å; V224-V249 HydrophobicContact CG2-CG1 4.49Å; V224-V249 HydrophobicContact CG2-CG2 3.92Å; M233-V249 HydrophobicContact CE-CG2 3.55Å; M233-V249 HydrophobicContact SD-CG2 4.23Å; V249-L312 HydrophobicContact CG2-CD1 4.11Å |
| 250 | A | 97.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 136 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | V223 V224 H226 L286 T289 | V223-A250 HydrophobicContact CG1-CB 4.34Å; V224-A250 PolarHBondContact O-N 2.97Å; H226-A250 VanDerWaalsContact CB-O 3.31Å; H226-A250 WeakPolarHBondContact CB-O 3.34Å; A250-L286 HydrophobicContact CB-CB 4.27Å; A250-L286 HydrophobicContact CB-CD1 3.79Å; A250-T289 HydrophobicContact CB-CG2 4.44Å |
| 251 | P | 95.2 | Very high | 94.9 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 168.2 | 172.5 | 28.2 | -34.2 | 0 | 0 | 0 | 111.1 | L256 A285 T289 T315 | P251-L256 HydrophobicContact CB-CG 4.46Å; P251-L256 HydrophobicContact CG-CD1 4.08Å; P251-L256 HydrophobicContact CG-CD2 3.51Å; P251-L256 HydrophobicContact CG-CG 3.7Å; P251-A285 VanDerWaalsContact O-CB 3.31Å; P251-A285 WeakPolarHBondContact O-CB 3.32Å; P251-T289 WeakPolarHBondContact CD-OG1 3.25Å; P251-T315 HydrophobicContact CB-CG2 3.96Å; P251-T315 HydrophobicContact CG-CG2 4.43Å |
| 252 | T | 93 | Very high | 94.8 | Very high | 51 Ų | 51 | 48 Ų | 48 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 156 | 166.2 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | D254 S255 L256 | T252-D254 VanDerWaalsContact C-N 3.28Å; T252-D254 PolarHBondContact O-N 2.96Å; T252-S255 WeakPolarHBondContact O-CB 3.42Å; T252-S255 PolarHBondContact O-N 3.38Å; T252-S255 PolarHBondContact OG1-N 3.42Å; T252-L256 PolarHBondContact O-N 3.28Å |
| 253 | L | 92.9 | Very high | 94.6 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.5 | -45.1 | 175.4 | -177.3 | 64 | 0 | 0 | 0 | 110.8 | S255 L256 L257 L270 L281 L284 A285 L288 | L253-S255 PolarHBondContact O-N 3.3Å; L253-S255 VanDerWaalsContact O-N 3.17Å; L253-L256 WeakPolarHBondContact O-CA 3.36Å; L253-L256 WeakPolarHBondContact O-CB 3.4Å; L253-L256 PolarHBondContact O-N 2.94Å; L253-L257 HydrophobicContact CD1-CD2 4.2Å; L253-L257 HydrophobicContact CD1-CG 4.45Å; L253-L257 HydrophobicContact CG-CD1 4.18Å; L253-L257 HydrophobicContact CG-CD2 4.41Å; L253-L257 HydrophobicContact CG-CG 4.2Å; L253-L257 WeakPolarHBondContact O-CG 3.46Å; L253-L257 PolarHBondContact O-N 2.64Å; L253-L257 VanDerWaalsContact O-N 3.13Å; L253-L270 HydrophobicContact CD2-CD2 4.33Å; L253-L281 HydrophobicContact CD2-CB 4.29Å; L253-L281 HydrophobicContact CD2-CD2 3.7Å; L253-L281 HydrophobicContact CD2-CG 4.49Å; L253-L284 HydrophobicContact CD1-CD2 3.8Å; L253-L284 HydrophobicContact CD1-CG 4.07Å; L253-L284 HydrophobicContact CD2-CD2 3.85Å; L253-L284 HydrophobicContact CG-CD2 4.49Å; L253-A285 HydrophobicContact CB-CB 4.38Å; L253-L288 HydrophobicContact CD1-CD1 4.3Å |
| 254 | D | 91.6 | Very high | 94.5 | Very high | 131 Ų | 131 | 48.4 Ų | 48.4 | 70% | 0.701 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -55.7 | -35.9 | 179.6 | -61.4 | -28.8 | 0 | 0 | 0 | 112.8 | T252 L256 L257 | T252-D254 VanDerWaalsContact C-N 3.28Å; T252-D254 PolarHBondContact O-N 2.96Å; D254-L256 VanDerWaalsContact C-N 3.31Å; D254-L256 PolarHBondContact O-N 3.26Å; D254-L257 PolarHBondContact O-N 3.16Å |
| 255 | S | 93.4 | Very high | 94.3 | Very high | 53 Ų | 53 | 47.7 Ų | 47.7 | 37% | 0.371 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.2 | -29.4 | 175.3 | 176.1 | 0 | 0 | 0 | 0 | 112.5 | T252 L253 K319 | T252-S255 WeakPolarHBondContact O-CB 3.42Å; T252-S255 PolarHBondContact O-N 3.38Å; T252-S255 PolarHBondContact OG1-N 3.42Å; L253-S255 PolarHBondContact O-N 3.3Å; L253-S255 VanDerWaalsContact O-N 3.17Å; S255-K319 WeakPolarHBondContact O-CD 3.36Å; S255-K319 VanDerWaalsContact O-CE 3.26Å; S255-K319 WeakPolarHBondContact O-CE 3.34Å; S255-K319 PolarHBondContact O-NZ 3.16Å |
| 256 | L | 94.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -80.6 | -20.7 | 176.5 | -65.5 | 175.2 | 0 | 0 | 0 | 113.2 | P251 T252 L253 D254 N261 A285 L288 W318 P320 | P251-L256 HydrophobicContact CB-CG 4.46Å; P251-L256 HydrophobicContact CG-CD1 4.08Å; P251-L256 HydrophobicContact CG-CD2 3.51Å; P251-L256 HydrophobicContact CG-CG 3.7Å; T252-L256 PolarHBondContact O-N 3.28Å; L253-L256 WeakPolarHBondContact O-CA 3.36Å; L253-L256 WeakPolarHBondContact O-CB 3.4Å; L253-L256 PolarHBondContact O-N 2.94Å; D254-L256 VanDerWaalsContact C-N 3.31Å; D254-L256 PolarHBondContact O-N 3.26Å; L256-N261 PolarHBondContact O-ND2 3Å; L256-A285 HydrophobicContact CD1-CB 3.94Å; L256-L288 HydrophobicContact CD1-CB 4.18Å; L256-L288 HydrophobicContact CD1-CD1 4.04Å; L256-W318 HydrophobicContact CD2-CE3 4.47Å; L256-P320 HydrophobicContact CB-CG 4.43Å; L256-P320 WeakPolarHBondContact O-CD 3.31Å |
| 257 | L | 94.1 | Very high | 93.9 | Very high | 35 Ų | 35 | 50 Ų | 50 | 18% | 0.183 | 27% | 0.272 | C | S | . | . | trans | -80.9 | 137.5 | -177.9 | -60.8 | -178 | 0 | 0 | 0 | 111.2 | L253 D254 M262 L270 L325 | L253-L257 HydrophobicContact CD1-CD2 4.2Å; L253-L257 HydrophobicContact CD1-CG 4.45Å; L253-L257 HydrophobicContact CG-CD1 4.18Å; L253-L257 HydrophobicContact CG-CD2 4.41Å; L253-L257 HydrophobicContact CG-CG 4.2Å; L253-L257 WeakPolarHBondContact O-CG 3.46Å; L253-L257 PolarHBondContact O-N 2.64Å; L253-L257 VanDerWaalsContact O-N 3.13Å; D254-L257 PolarHBondContact O-N 3.16Å; L257-M262 HydrophobicContact CB-CG 4.09Å; L257-M262 HydrophobicContact CB-SD 4.33Å; L257-M262 HydrophobicContact CD1-CE 4.27Å; L257-M262 HydrophobicContact CD1-SD 3.83Å; L257-M262 HydrophobicContact CD2-CG 4.35Å; L257-M262 HydrophobicContact CD2-SD 3.73Å; L257-M262 HydrophobicContact CG-SD 4.15Å; L257-L270 HydrophobicContact CD1-CD1 3.95Å; L257-L270 HydrophobicContact CD2-CD1 4.45Å; L257-L325 HydrophobicContact CD2-CD1 4.36Å; L257-L325 HydrophobicContact CD2-CD2 3.46Å; L257-L325 VanDerWaalsContact CD2-CD2 3.46Å | ||
| 258 | T | 94.5 | Very high | 93.3 | Very high | 43 Ų | 43 | 53.5 Ų | 53.5 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | trans | -132.6 | 162.8 | 174.7 | 69.4 | 0 | 0 | 0 | 0 | 109.7 | E260 N261 M262 K319 | T258-E260 PolarHBondContact O-N 3.3Å; T258-E260 PolarHBondContact OG1-N 3.08Å; T258-N261 PolarHBondContact N-OD1 3.32Å; T258-N261 PolarHBondContact O-N 2.98Å; T258-N261 PolarHBondContact O-OD1 3.35Å; T258-N261 PolarHBondContact OG1-N 3.32Å; T258-N261 VanDerWaalsContact OG1-N 3.17Å; T258-M262 VanDerWaalsContact O-CB 3.23Å; T258-M262 WeakPolarHBondContact O-CB 3.44Å; T258-M262 WeakPolarHBondContact O-CG 3.34Å; T258-M262 PolarHBondContact O-N 3.04Å; T258-K319 HydrophobicContact CG2-CB 4.17Å; T258-K319 HydrophobicContact CG2-CD 3.98Å; T258-K319 HydrophobicContact CG2-CG 3.76Å | ||
| 259 | T | 92.5 | Very high | 92.8 | Very high | 133 Ų | 133 | 55 Ų | 55 | 82% | 0.816 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -33 | 173.5 | -45.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 260 | E | 93.6 | Very high | 92.2 | Very high | 177 Ų | 177 | 54.8 Ų | 54.8 | 83% | 0.827 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -42.9 | -177.5 | -62.3 | 176.1 | 178.6 | 0 | 0 | 112.8 | T258 | T258-E260 PolarHBondContact O-N 3.3Å; T258-E260 PolarHBondContact OG1-N 3.08Å |
| 261 | N | 94.8 | Very high | 91.3 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.027 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -19.3 | -179.8 | 71.1 | 16.9 | 0 | 0 | 0 | 113.1 | L256 T258 T263 I266 P320 S322 | L256-N261 PolarHBondContact O-ND2 3Å; T258-N261 PolarHBondContact N-OD1 3.32Å; T258-N261 PolarHBondContact O-N 2.98Å; T258-N261 PolarHBondContact O-OD1 3.35Å; T258-N261 PolarHBondContact OG1-N 3.32Å; T258-N261 VanDerWaalsContact OG1-N 3.17Å; N261-T263 PolarHBondContact O-N 3.46Å; N261-I266 WeakPolarHBondContact O-CD1 2.9Å; N261-P320 VanDerWaalsContact CB-O 3.31Å; N261-P320 WeakPolarHBondContact CB-O 3.3Å; N261-P320 PolarHBondContact ND2-O 2.84Å; N261-S322 WeakPolarHBondContact O-CB 3.24Å |
| 262 | M | 93.1 | Very high | 89.9 | Confident | 29 Ų | 29 | 64.5 Ų | 64.5 | 14% | 0.143 | 35% | 0.349 | C | S | . | . | trans | -79.3 | 65.5 | 176.6 | -73.6 | -67.9 | -76 | 0 | 0 | 112.8 | L257 T258 I266 K267 L270 | L257-M262 HydrophobicContact CB-CG 4.09Å; L257-M262 HydrophobicContact CB-SD 4.33Å; L257-M262 HydrophobicContact CD1-CE 4.27Å; L257-M262 HydrophobicContact CD1-SD 3.83Å; L257-M262 HydrophobicContact CD2-CG 4.35Å; L257-M262 HydrophobicContact CD2-SD 3.73Å; L257-M262 HydrophobicContact CG-SD 4.15Å; T258-M262 VanDerWaalsContact O-CB 3.23Å; T258-M262 WeakPolarHBondContact O-CB 3.44Å; T258-M262 WeakPolarHBondContact O-CG 3.34Å; T258-M262 PolarHBondContact O-N 3.04Å; M262-I266 HydrophobicContact SD-CG2 3.57Å; M262-I266 VanDerWaalsContact SD-CG2 3.57Å; M262-K267 HydrophobicContact CB-CG 4.33Å; M262-K267 HydrophobicContact CE-CG 3.8Å; M262-K267 WeakPolarHBondContact O-CD 3.39Å; M262-K267 WeakPolarHBondContact O-CE 3.35Å; M262-K267 PolarHBondContact O-NZ 2.66Å; M262-L270 HydrophobicContact CE-CD1 3.91Å; M262-L270 HydrophobicContact SD-CD1 3.84Å | ||
| 263 | T | 93.5 | Very high | 88 | Confident | 51 Ų | 51 | 63.4 Ų | 63.4 | 31% | 0.313 | 34% | 0.342 | S | S | . | . | trans | -64 | 162.2 | 170.9 | 63 | 0 | 0 | 0 | 0 | 111.9 | N261 I266 K267 | N261-T263 PolarHBondContact O-N 3.46Å; T263-I266 PolarHBondContact O-N 3.22Å; T263-I266 WeakPolarHBondContact OG1-CD1 3.43Å; T263-K267 PolarHBondContact O-N 3.44Å | ||
| 264 | E | 92.7 | Very high | 86 | Confident | 114 Ų | 114 | 70.2 Ų | 70.2 | 53% | 0.533 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.9 | -41.4 | -178.4 | -157.4 | 59.9 | -155 | 0 | 0 | 114.2 | I266 K267 N268 | E264-I266 VanDerWaalsContact C-N 3.31Å; E264-I266 PolarHBondContact O-N 3.27Å; E264-K267 PolarHBondContact O-N 2.95Å; E264-N268 WeakPolarHBondContact O-CB 3.49Å; E264-N268 VanDerWaalsContact O-CG 3.31Å; E264-N268 PolarHBondContact O-N 3.32Å; E264-N268 PolarHBondContact O-ND2 2.82Å |
| 265 | P | 90.9 | Very high | 84.5 | Confident | 72 Ų | 72 | 65 Ų | 65 | 47% | 0.468 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.5 | -40.5 | 173.4 | -25.4 | 35.9 | 0 | 0 | 0 | 113.2 | N268 I269 | P265-N268 PolarHBondContact O-N 3.03Å; P265-I269 VanDerWaalsContact O-CG1 3.29Å; P265-I269 WeakPolarHBondContact O-CG1 3.39Å; P265-I269 PolarHBondContact O-N 3.06Å |
| 266 | I | 91.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.2 | -44.4 | -179 | -67.7 | 168.7 | 0 | 0 | 0 | 110.4 | N261 M262 T263 E264 N268 I269 L270 S322 L325 L326 L329 | N261-I266 WeakPolarHBondContact O-CD1 2.9Å; M262-I266 HydrophobicContact SD-CG2 3.57Å; M262-I266 VanDerWaalsContact SD-CG2 3.57Å; T263-I266 PolarHBondContact O-N 3.22Å; T263-I266 WeakPolarHBondContact OG1-CD1 3.43Å; E264-I266 VanDerWaalsContact C-N 3.31Å; E264-I266 PolarHBondContact O-N 3.27Å; I266-N268 VanDerWaalsContact C-N 3.29Å; I266-N268 PolarHBondContact O-N 3.48Å; I266-I269 PolarHBondContact O-N 2.9Å; I266-L270 HydrophobicContact CG2-CD1 3.91Å; I266-L270 HydrophobicContact CG2-CG 4.44Å; I266-L270 WeakPolarHBondContact O-CG 3.32Å; I266-L270 PolarHBondContact O-N 3.23Å; I266-S322 WeakPolarHBondContact CD1-O 3.39Å; I266-L325 HydrophobicContact CD1-CB 4.13Å; I266-L325 HydrophobicContact CD1-CD2 4Å; I266-L325 HydrophobicContact CD1-CG 4.06Å; I266-L325 HydrophobicContact CG2-CD2 3.74Å; I266-L325 HydrophobicContact CG2-CG 4.19Å; I266-L326 HydrophobicContact CD1-CB 4.35Å; I266-L326 HydrophobicContact CG1-CB 4.39Å; I266-L326 HydrophobicContact CG1-CD1 4.28Å; I266-L329 HydrophobicContact CG1-CD1 4.33Å; I266-L329 HydrophobicContact CG2-CD1 3.97Å |
| 267 | K | 90.1 | Very high | 82.7 | Confident | 70 Ų | 70 | 65.8 Ų | 65.8 | 30% | 0.304 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -55.4 | -46.5 | 171.2 | -76.3 | 169.2 | 173.5 | 159 | 0 | 110.8 | M262 T263 E264 I269 L270 N271 | M262-K267 HydrophobicContact CB-CG 4.33Å; M262-K267 HydrophobicContact CE-CG 3.8Å; M262-K267 WeakPolarHBondContact O-CD 3.39Å; M262-K267 WeakPolarHBondContact O-CE 3.35Å; M262-K267 PolarHBondContact O-NZ 2.66Å; T263-K267 PolarHBondContact O-N 3.44Å; E264-K267 PolarHBondContact O-N 2.95Å; K267-I269 VanDerWaalsContact C-N 3.34Å; K267-I269 PolarHBondContact O-N 3.4Å; K267-L270 PolarHBondContact O-N 3.48Å; K267-N271 WeakPolarHBondContact O-CA 3.14Å; K267-N271 WeakPolarHBondContact O-CB 3.12Å; K267-N271 PolarHBondContact O-N 3.24Å; K267-N271 PolarHBondContact O-ND2 3.17Å |
| 268 | N | 86.4 | Confident | 82.1 | Confident | 72 Ų | 72 | 70.2 Ų | 70.2 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 177.8 | -79.4 | -34.4 | 0 | 0 | 0 | 112.3 | E264 P265 I266 N272 | E264-N268 WeakPolarHBondContact O-CB 3.49Å; E264-N268 VanDerWaalsContact O-CG 3.31Å; E264-N268 PolarHBondContact O-N 3.32Å; E264-N268 PolarHBondContact O-ND2 2.82Å; P265-N268 PolarHBondContact O-N 3.03Å; I266-N268 VanDerWaalsContact C-N 3.29Å; I266-N268 PolarHBondContact O-N 3.48Å; N268-N272 WeakPolarHBondContact O-CB 3.22Å; N268-N272 PolarHBondContact O-N 2.9Å; N268-N272 PolarHBondContact O-ND2 3.14Å; N268-N272 VanDerWaalsContact O-ND2 3.15Å |
| 269 | I | 85.8 | Confident | 81.7 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 31% | 0.313 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.1 | -52.4 | 176 | -68.7 | 163.5 | 0 | 0 | 0 | 110.1 | P265 I266 K267 T273 L326 L329 | P265-I269 VanDerWaalsContact O-CG1 3.29Å; P265-I269 WeakPolarHBondContact O-CG1 3.39Å; P265-I269 PolarHBondContact O-N 3.06Å; I266-I269 PolarHBondContact O-N 2.9Å; K267-I269 VanDerWaalsContact C-N 3.34Å; K267-I269 PolarHBondContact O-N 3.4Å; I269-T273 WeakPolarHBondContact O-CB 3.32Å; I269-T273 WeakPolarHBondContact O-CG2 3.48Å; I269-T273 PolarHBondContact O-N 3.34Å; I269-T273 PolarHBondContact O-OG1 3.03Å; I269-L326 HydrophobicContact CD1-CD1 3.79Å; I269-L329 HydrophobicContact CD1-CB 4.4Å; I269-L329 HydrophobicContact CD1-CD1 4.46Å; I269-L329 HydrophobicContact CG2-CB 4.42Å; I269-L329 HydrophobicContact CG2-CD1 4.23Å; I269-L329 HydrophobicContact CG2-CD2 4.05Å; I269-L329 HydrophobicContact CG2-CG 4.49Å |
| 270 | L | 85.2 | Confident | 81.5 | Confident | 27 Ų | 27 | 65.4 Ų | 65.4 | 14% | 0.141 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.5 | -37.1 | -174.7 | -65.7 | 176.4 | 0 | 0 | 0 | 112.9 | L253 L257 M262 I266 K267 T273 I276 L329 | L253-L270 HydrophobicContact CD2-CD2 4.33Å; L257-L270 HydrophobicContact CD1-CD1 3.95Å; L257-L270 HydrophobicContact CD2-CD1 4.45Å; M262-L270 HydrophobicContact CE-CD1 3.91Å; M262-L270 HydrophobicContact SD-CD1 3.84Å; I266-L270 HydrophobicContact CG2-CD1 3.91Å; I266-L270 HydrophobicContact CG2-CG 4.44Å; I266-L270 WeakPolarHBondContact O-CG 3.32Å; I266-L270 PolarHBondContact O-N 3.23Å; K267-L270 PolarHBondContact O-N 3.48Å; L270-T273 PolarHBondContact O-OG1 3.44Å; L270-T273 VanDerWaalsContact O-OG1 3.1Å; L270-I276 HydrophobicContact CD2-CD1 4.22Å; L270-L329 HydrophobicContact CD2-CD2 3.94Å |
| 271 | N | 77.9 | Confident | 81.4 | Confident | 99 Ų | 99 | 59.2 Ų | 59.2 | 53% | 0.529 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -84 | -40.3 | -177.5 | -63.1 | -17.2 | 0 | 0 | 0 | 113.2 | K267 T273 | K267-N271 WeakPolarHBondContact O-CA 3.14Å; K267-N271 WeakPolarHBondContact O-CB 3.12Å; K267-N271 PolarHBondContact O-N 3.24Å; K267-N271 PolarHBondContact O-ND2 3.17Å; N271-T273 PolarHBondContact O-N 3.1Å; N271-T273 VanDerWaalsContact O-N 3.12Å |
| 272 | N | 65.2 | Low | 81.3 | Confident | 119 Ų | 119 | 61.5 Ų | 61.5 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -72.1 | -2 | 174.3 | -69.1 | -48.3 | 0 | 0 | 0 | 112.2 | N268 | N268-N272 WeakPolarHBondContact O-CB 3.22Å; N268-N272 PolarHBondContact O-N 2.9Å; N268-N272 PolarHBondContact O-ND2 3.14Å; N268-N272 VanDerWaalsContact O-ND2 3.15Å |
| 273 | T | 54.4 | Low | 81.5 | Confident | 27 Ų | 27 | 60.3 Ų | 60.3 | 17% | 0.166 | 33% | 0.326 | C | S | . | . | trans | -114.5 | 70.4 | 169.2 | 65.5 | 0 | 0 | 0 | 0 | 111 | I269 L270 N271 T275 I276 | I269-T273 WeakPolarHBondContact O-CB 3.32Å; I269-T273 WeakPolarHBondContact O-CG2 3.48Å; I269-T273 PolarHBondContact O-N 3.34Å; I269-T273 PolarHBondContact O-OG1 3.03Å; L270-T273 PolarHBondContact O-OG1 3.44Å; L270-T273 VanDerWaalsContact O-OG1 3.1Å; N271-T273 PolarHBondContact O-N 3.1Å; N271-T273 VanDerWaalsContact O-N 3.12Å; T273-T275 PolarHBondContact O-N 3.07Å; T273-I276 HydrophobicContact CG2-CD1 4.24Å; T273-I276 HydrophobicContact CG2-CG1 4.09Å; T273-I276 PolarHBondContact O-N 3.28Å; T273-I276 WeakPolarHBondContact OG1-CD1 3.45Å; T273-I276 VanDerWaalsContact OG1-CG1 3.23Å; T273-I276 WeakPolarHBondContact OG1-CG1 3.3Å | ||
| 274 | N | 50.6 | Low | 81.6 | Confident | 154 Ų | 154 | 58 Ų | 58 | 82% | 0.824 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 24.5 | 155.1 | -73.5 | -24.5 | 0 | 0 | 0 | 113 | ||
| 275 | T | 59.2 | Low | 81.8 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 14% | 0.141 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -148.3 | -3.2 | -159.5 | 78 | 0 | 0 | 0 | 0 | 113 | T273 P277 N367 K368 | T273-T275 PolarHBondContact O-N 3.07Å; T275-P277 VanDerWaalsContact O-CD 3.27Å; T275-P277 WeakPolarHBondContact O-CD 3.3Å; T275-N367 HydrophobicContact CG2-CB 3.28Å; T275-K368 VanDerWaalsContact OG1-CE 3.28Å; T275-K368 WeakPolarHBondContact OG1-CE 3.44Å |
| 276 | I | 72.8 | Confident | 82.1 | Confident | 46 Ų | 46 | 49.2 Ų | 49.2 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | trans | -70.4 | 120.1 | 171.5 | -69.9 | 166.8 | 0 | 0 | 0 | 106.6 | L270 T273 N278 Q280 L281 | L270-I276 HydrophobicContact CD2-CD1 4.22Å; T273-I276 HydrophobicContact CG2-CD1 4.24Å; T273-I276 HydrophobicContact CG2-CG1 4.09Å; T273-I276 PolarHBondContact O-N 3.28Å; T273-I276 WeakPolarHBondContact OG1-CD1 3.45Å; T273-I276 VanDerWaalsContact OG1-CG1 3.23Å; T273-I276 WeakPolarHBondContact OG1-CG1 3.3Å; I276-N278 PolarHBondContact O-N 2.91Å; I276-Q280 HydrophobicContact CG2-CB 3.62Å; I276-L281 HydrophobicContact CB-CD2 4.11Å; I276-L281 HydrophobicContact CD1-CD2 4.43Å; I276-L281 HydrophobicContact CG2-CD2 3.53Å; I276-L281 HydrophobicContact CG2-CG 3.9Å | ||
| 277 | P | 77.4 | Confident | 82.4 | Confident | 25 Ų | 25 | 49.2 Ų | 49.2 | 16% | 0.162 | 27% | 0.265 | C | S | . | . | trans | -60.2 | 140.8 | 177.4 | -19.6 | 31.1 | 0 | 0 | 0 | 110.5 | T275 S279 Q280 L281 W337 | T275-P277 VanDerWaalsContact O-CD 3.27Å; T275-P277 WeakPolarHBondContact O-CD 3.3Å; P277-S279 PolarHBondContact O-N 3.12Å; P277-Q280 WeakPolarHBondContact O-CB 3.41Å; P277-Q280 PolarHBondContact O-N 3.4Å; P277-L281 PolarHBondContact O-N 2.91Å; P277-W337 HydrophobicContact CB-CH2 4.06Å; P277-W337 HydrophobicContact CB-CZ2 4.14Å; P277-W337 HydrophobicContact CG-CD2 3.87Å; P277-W337 HydrophobicContact CG-CE3 3.63Å; P277-W337 HydrophobicContact CG-CH2 3.26Å; P277-W337 HydrophobicContact CG-CZ2 3.49Å; P277-W337 VanDerWaalsContact CG-CZ2 3.49Å; P277-W337 HydrophobicContact CG-CZ3 3.33Å | ||
| 278 | N | 82.7 | Confident | 82.8 | Confident | 127 Ų | 127 | 45.9 Ų | 45.9 | 68% | 0.679 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -50.7 | -34.1 | 177.7 | -72.5 | -4.2 | 0 | 0 | 0 | 112.9 | I276 Q280 L281 L282 | I276-N278 PolarHBondContact O-N 2.91Å; N278-Q280 VanDerWaalsContact C-N 3.27Å; N278-Q280 PolarHBondContact O-N 3.35Å; N278-L281 PolarHBondContact O-N 3.46Å; N278-L281 VanDerWaalsContact O-N 3.16Å; N278-L282 WeakPolarHBondContact O-CG 3.28Å; N278-L282 PolarHBondContact O-N 3.26Å |
| 279 | S | 86.1 | Confident | 83.3 | Confident | 50 Ų | 50 | 42.8 Ų | 42.8 | 35% | 0.35 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.3 | -33.6 | 175.7 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | P277 N283 | P277-S279 PolarHBondContact O-N 3.12Å; S279-N283 PolarHBondContact O-N 3.07Å; S279-N283 PolarHBondContact O-ND2 2.9Å; S279-N283 PolarHBondContact O-OD1 3.18Å |
| 280 | Q | 87.9 | Confident | 83.9 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 12% | 0.117 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.4 | -34.3 | 174.8 | -69.8 | -61.6 | -12.2 | 0 | 0 | 112.2 | I276 P277 N278 L282 N283 L284 W337 | I276-Q280 HydrophobicContact CG2-CB 3.62Å; P277-Q280 WeakPolarHBondContact O-CB 3.41Å; P277-Q280 PolarHBondContact O-N 3.4Å; N278-Q280 VanDerWaalsContact C-N 3.27Å; N278-Q280 PolarHBondContact O-N 3.35Å; Q280-L282 VanDerWaalsContact C-N 3.33Å; Q280-N283 PolarHBondContact O-N 3.11Å; Q280-L284 VanDerWaalsContact O-CB 3.31Å; Q280-L284 WeakPolarHBondContact O-CB 3.24Å; Q280-L284 PolarHBondContact O-N 2.89Å; Q280-W337 VanDerWaalsContact NE2-CD1 3.29Å; Q280-W337 VanDerWaalsContact NE2-NE1 3.17Å |
| 281 | L | 90.7 | Very high | 84.6 | Confident | 47 Ų | 47 | 38.8 Ų | 38.8 | 25% | 0.246 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -39.6 | 173.8 | -56 | 179 | 0 | 0 | 0 | 111.3 | L253 I276 P277 N278 L284 A285 | L253-L281 HydrophobicContact CD2-CB 4.29Å; L253-L281 HydrophobicContact CD2-CD2 3.7Å; L253-L281 HydrophobicContact CD2-CG 4.49Å; I276-L281 HydrophobicContact CB-CD2 4.11Å; I276-L281 HydrophobicContact CD1-CD2 4.43Å; I276-L281 HydrophobicContact CG2-CD2 3.53Å; I276-L281 HydrophobicContact CG2-CG 3.9Å; P277-L281 PolarHBondContact O-N 2.91Å; N278-L281 PolarHBondContact O-N 3.46Å; N278-L281 VanDerWaalsContact O-N 3.16Å; L281-L284 PolarHBondContact O-N 2.83Å; L281-A285 PolarHBondContact O-N 3.32Å |
| 282 | L | 94 | Very high | 85.5 | Confident | 53 Ų | 53 | 34.8 Ų | 34.8 | 28% | 0.277 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.3 | -45.7 | 172.7 | -69.4 | 173.7 | 0 | 0 | 0 | 111.8 | H226 N278 Q280 L284 A285 L286 | H226-L282 HydrophobicContact CB-CD2 3.94Å; N278-L282 WeakPolarHBondContact O-CG 3.28Å; N278-L282 PolarHBondContact O-N 3.26Å; Q280-L282 VanDerWaalsContact C-N 3.33Å; L282-L284 VanDerWaalsContact C-N 3.3Å; L282-L284 PolarHBondContact O-N 2.81Å; L282-A285 PolarHBondContact O-N 3.43Å; L282-L286 WeakPolarHBondContact O-CB 3.34Å; L282-L286 PolarHBondContact O-N 3.41Å |
| 283 | N | 95.8 | Very high | 86.9 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.8 | -39.2 | 176.1 | -67.6 | -21.4 | 0 | 0 | 0 | 111.8 | V78 M81 S279 Q280 L286 S287 | V78-N283 HydrophobicContact CG2-CB 3.62Å; M81-N283 HydrophobicContact CE-CB 4.43Å; M81-N283 HydrophobicContact SD-CB 4.19Å; S279-N283 PolarHBondContact O-N 3.07Å; S279-N283 PolarHBondContact O-ND2 2.9Å; S279-N283 PolarHBondContact O-OD1 3.18Å; Q280-N283 PolarHBondContact O-N 3.11Å; N283-L286 PolarHBondContact O-N 3.45Å; N283-S287 WeakPolarHBondContact O-CB 3.26Å; N283-S287 PolarHBondContact O-N 2.88Å; N283-S287 PolarHBondContact O-OG 3.31Å |
| 284 | L | 95.9 | Very high | 89 | Confident | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.3 | -51.4 | 178 | 177.7 | 61.1 | 0 | 0 | 0 | 111 | M81 L253 Q280 L281 L282 L286 S287 L288 A328 L329 | M81-L284 HydrophobicContact SD-CB 4.29Å; M81-L284 HydrophobicContact SD-CD1 4.43Å; L253-L284 HydrophobicContact CD1-CD2 3.8Å; L253-L284 HydrophobicContact CD1-CG 4.07Å; L253-L284 HydrophobicContact CD2-CD2 3.85Å; L253-L284 HydrophobicContact CG-CD2 4.49Å; Q280-L284 VanDerWaalsContact O-CB 3.31Å; Q280-L284 WeakPolarHBondContact O-CB 3.24Å; Q280-L284 PolarHBondContact O-N 2.89Å; L281-L284 PolarHBondContact O-N 2.83Å; L282-L284 VanDerWaalsContact C-N 3.3Å; L282-L284 PolarHBondContact O-N 2.81Å; L284-L286 PolarHBondContact O-N 2.91Å; L284-S287 PolarHBondContact O-N 3.13Å; L284-L288 HydrophobicContact CD1-CD1 4.16Å; L284-L288 HydrophobicContact CD1-CG 4.39Å; L284-L288 HydrophobicContact CG-CD1 4.07Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.42Å; L284-L288 PolarHBondContact O-N 3.06Å; L284-A328 HydrophobicContact CD1-CB 3.36Å; L284-L329 HydrophobicContact CD2-CD2 3.52Å; L284-L329 HydrophobicContact CD2-CG 4.18Å |
| 285 | A | 96.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P251 L253 L256 L281 L282 S287 L288 T289 | P251-A285 VanDerWaalsContact O-CB 3.31Å; P251-A285 WeakPolarHBondContact O-CB 3.32Å; L253-A285 HydrophobicContact CB-CB 4.38Å; L256-A285 HydrophobicContact CD1-CB 3.94Å; L281-A285 PolarHBondContact O-N 3.32Å; L282-A285 PolarHBondContact O-N 3.43Å; A285-S287 VanDerWaalsContact C-N 3.31Å; A285-S287 PolarHBondContact O-N 2.55Å; A285-L288 PolarHBondContact O-N 3.44Å; A285-T289 WeakPolarHBondContact O-CB 3.27Å; A285-T289 PolarHBondContact O-N 2.94Å; A285-T289 PolarHBondContact O-OG1 2.8Å; A285-T289 VanDerWaalsContact O-OG1 3.04Å |
| 286 | L | 98.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.1 | -40.7 | 176.5 | -177.8 | 58.5 | 0 | 0 | 0 | 112.5 | V78 V189 T191 V223 A250 L282 N283 L284 T290 | V78-L286 HydrophobicContact CG1-CD2 4.47Å; V78-L286 HydrophobicContact CG1-CG 4.49Å; V78-L286 HydrophobicContact CG2-CD2 4.17Å; V189-L286 HydrophobicContact CG1-CD1 3.88Å; V189-L286 HydrophobicContact CG1-CD2 3.76Å; V189-L286 HydrophobicContact CG1-CG 3.83Å; T191-L286 HydrophobicContact CG2-CD2 3.92Å; V223-L286 HydrophobicContact CB-CD1 4.38Å; V223-L286 HydrophobicContact CG1-CD1 3.62Å; A250-L286 HydrophobicContact CB-CB 4.27Å; A250-L286 HydrophobicContact CB-CD1 3.79Å; L282-L286 WeakPolarHBondContact O-CB 3.34Å; L282-L286 PolarHBondContact O-N 3.41Å; N283-L286 PolarHBondContact O-N 3.45Å; L284-L286 PolarHBondContact O-N 2.91Å; L286-T290 VanDerWaalsContact O-CB 3.32Å; L286-T290 WeakPolarHBondContact O-CB 3.39Å; L286-T290 PolarHBondContact O-N 2.92Å; L286-T290 PolarHBondContact O-OG1 3.01Å |
| 287 | S | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.4 | -44.9 | 179.5 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | V78 M81 N283 L284 A285 T290 V291 | V78-S287 WeakPolarHBondContact CA-OG 3.31Å; V78-S287 PolarHBondContact O-OG 2.91Å; M81-S287 WeakPolarHBondContact CB-OG 3.01Å; N283-S287 WeakPolarHBondContact O-CB 3.26Å; N283-S287 PolarHBondContact O-N 2.88Å; N283-S287 PolarHBondContact O-OG 3.31Å; L284-S287 PolarHBondContact O-N 3.13Å; A285-S287 VanDerWaalsContact C-N 3.31Å; A285-S287 PolarHBondContact O-N 2.55Å; S287-T290 PolarHBondContact O-N 2.92Å; S287-V291 WeakPolarHBondContact O-CG2 3.44Å; S287-V291 PolarHBondContact O-N 2.84Å |
| 288 | L | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.7 | -47.7 | 176.4 | -69.7 | 164.7 | 0 | 0 | 0 | 111.2 | I85 L253 L256 L284 A285 V291 N292 W318 P320 V324 L325 A328 | I85-L288 HydrophobicContact CD1-CD2 4.24Å; L253-L288 HydrophobicContact CD1-CD1 4.3Å; L256-L288 HydrophobicContact CD1-CB 4.18Å; L256-L288 HydrophobicContact CD1-CD1 4.04Å; L284-L288 HydrophobicContact CD1-CD1 4.16Å; L284-L288 HydrophobicContact CD1-CG 4.39Å; L284-L288 HydrophobicContact CG-CD1 4.07Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.42Å; L284-L288 PolarHBondContact O-N 3.06Å; A285-L288 PolarHBondContact O-N 3.44Å; L288-V291 PolarHBondContact O-N 3.37Å; L288-N292 PolarHBondContact O-N 3.33Å; L288-W318 HydrophobicContact CB-CZ3 4.49Å; L288-P320 HydrophobicContact CD1-CG 4.37Å; L288-P320 HydrophobicContact CD2-CB 4.12Å; L288-P320 HydrophobicContact CD2-CG 4.49Å; L288-V324 HydrophobicContact CD2-CG1 3.67Å; L288-L325 HydrophobicContact CD1-CD1 3.81Å; L288-A328 HydrophobicContact CD2-CB 3.76Å; L288-A328 HydrophobicContact CG-CB 4.25Å |
| 289 | T | 97.3 | Very high | 94.6 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 4% | 0.043 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 177.7 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | V223 A250 P251 A285 N292 Y293 | V223-T289 HydrophobicContact CG1-CG2 3.96Å; A250-T289 HydrophobicContact CB-CG2 4.44Å; P251-T289 WeakPolarHBondContact CD-OG1 3.25Å; A285-T289 WeakPolarHBondContact O-CB 3.27Å; A285-T289 PolarHBondContact O-N 2.94Å; A285-T289 PolarHBondContact O-OG1 2.8Å; A285-T289 VanDerWaalsContact O-OG1 3.04Å; T289-N292 PolarHBondContact O-N 2.89Å; T289-Y293 HydrophobicContact CG2-CD2 3.71Å; T289-Y293 HydrophobicContact CG2-CE2 3.45Å; T289-Y293 VanDerWaalsContact CG2-CE2 3.45Å; T289-Y293 VanDerWaalsContact O-CD2 3.24Å; T289-Y293 WeakPolarHBondContact O-CD2 3.24Å; T289-Y293 PolarHBondContact O-N 2.72Å |
| 290 | T | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 176.7 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | I67 I82 V187 V189 L286 S287 N292 Y293 W294 | I67-T290 HydrophobicContact CD1-CG2 4.48Å; I67-T290 HydrophobicContact CG2-CG2 3.85Å; I82-T290 HydrophobicContact CD1-CG2 3.66Å; I82-T290 HydrophobicContact CG1-CG2 4.3Å; V187-T290 HydrophobicContact CB-CG2 4.34Å; V187-T290 HydrophobicContact CG1-CG2 3.97Å; V189-T290 HydrophobicContact CG2-CG2 3.54Å; V189-T290 WeakPolarHBondContact CG2-OG1 3.35Å; L286-T290 VanDerWaalsContact O-CB 3.32Å; L286-T290 WeakPolarHBondContact O-CB 3.39Å; L286-T290 PolarHBondContact O-N 2.92Å; L286-T290 PolarHBondContact O-OG1 3.01Å; S287-T290 PolarHBondContact O-N 2.92Å; T290-N292 VanDerWaalsContact C-N 3.32Å; T290-N292 PolarHBondContact O-N 2.83Å; T290-Y293 PolarHBondContact O-N 3.01Å; T290-W294 WeakPolarHBondContact O-CB 3.41Å; T290-W294 PolarHBondContact O-N 3.46Å |
| 291 | V | 98.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 178.8 | 169 | 0 | 0 | 0 | 0 | 111.3 | I82 I85 L86 S287 L288 W294 L295 | I82-V291 HydrophobicContact CB-CG2 4.32Å; I82-V291 HydrophobicContact CG1-CG2 4.25Å; I82-V291 HydrophobicContact CG2-CG2 4Å; I85-V291 HydrophobicContact CB-CG2 4.14Å; I85-V291 HydrophobicContact CD1-CG2 3.95Å; I85-V291 HydrophobicContact CG2-CB 4.38Å; I85-V291 HydrophobicContact CG2-CG1 3.8Å; I85-V291 HydrophobicContact CG2-CG2 4.13Å; L86-V291 HydrophobicContact CD2-CG1 3.8Å; L86-V291 HydrophobicContact CD2-CG2 4.29Å; L86-V291 HydrophobicContact CG-CG2 4.16Å; S287-V291 WeakPolarHBondContact O-CG2 3.44Å; S287-V291 PolarHBondContact O-N 2.84Å; L288-V291 PolarHBondContact O-N 3.37Å; V291-W294 PolarHBondContact O-N 3.18Å; V291-L295 HydrophobicContact CG1-CD1 3.88Å; V291-L295 HydrophobicContact CG1-CG 4.3Å; V291-L295 WeakPolarHBondContact O-CB 3.46Å; V291-L295 WeakPolarHBondContact O-CG 3.4Å; V291-L295 PolarHBondContact O-N 3.37Å |
| 292 | N | 96.8 | Very high | 92.2 | Very high | 16 Ų | 16 | 28 Ų | 28 | 9% | 0.086 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.5 | -52.3 | 175.7 | -179.1 | 55 | 0 | 0 | 0 | 111.4 | L288 T289 T290 W294 L295 T296 W318 | L288-N292 PolarHBondContact O-N 3.33Å; T289-N292 PolarHBondContact O-N 2.89Å; T290-N292 VanDerWaalsContact C-N 3.32Å; T290-N292 PolarHBondContact O-N 2.83Å; N292-W294 VanDerWaalsContact C-N 3.3Å; N292-W294 PolarHBondContact O-N 3.13Å; N292-L295 PolarHBondContact O-N 2.79Å; N292-T296 WeakPolarHBondContact O-CG2 3.42Å; N292-T296 PolarHBondContact O-N 3.05Å; N292-T296 PolarHBondContact O-OG1 3.5Å; N292-W318 HydrophobicContact CB-CD2 3.92Å; N292-W318 HydrophobicContact CB-CE3 3.86Å; N292-W318 HydrophobicContact CB-CH2 3.87Å; N292-W318 HydrophobicContact CB-CZ2 3.96Å; N292-W318 HydrophobicContact CB-CZ3 3.83Å; N292-W318 VanDerWaalsContact CG-CD2 3.43Å; N292-W318 VanDerWaalsContact OD1-CE2 3.23Å; N292-W318 PolarHBondContact OD1-NE1 3.38Å |
| 293 | Y | 96.3 | Very high | 90.2 | Very high | 18 Ų | 18 | 31 Ų | 31 | 7% | 0.071 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65 | -34.4 | 179.8 | -76.6 | -59.9 | 0 | 0 | 0 | 113.4 | I221 V223 Y248 T289 T290 T296 K297 S316 | I221-Y293 HydrophobicContact CD1-CD1 3.88Å; I221-Y293 HydrophobicContact CD1-CG 4.22Å; I221-Y293 HydrophobicContact CG2-CD1 4.26Å; I221-Y293 HydrophobicContact CG2-CD2 4.38Å; I221-Y293 HydrophobicContact CG2-CG 4.01Å; V223-Y293 HydrophobicContact CG2-CD2 3.78Å; V223-Y293 HydrophobicContact CG2-CE2 4.37Å; Y248-Y293 HydrophobicContact CD1-CE1 4.28Å; Y248-Y293 HydrophobicContact CD1-CE2 4.24Å; Y248-Y293 AromaticContact CD1-CZ 3.58Å; Y248-Y293 WeakPolarHBondContact CD1-OH 3.29Å; Y248-Y293 HydrophobicContact CD2-CE1 4.05Å; Y248-Y293 HydrophobicContact CD2-CE2 4.05Å; Y248-Y293 AromaticContact CD2-CZ 3.76Å; Y248-Y293 HydrophobicContact CE1-CE1 4.04Å; Y248-Y293 AromaticContact CE1-CZ 3.77Å; Y248-Y293 WeakPolarHBondContact CE1-OH 3.47Å; Y248-Y293 HydrophobicContact CE2-CD1 4.37Å; Y248-Y293 AromaticContact CE2-CE1 3.79Å; Y248-Y293 HydrophobicContact CE2-CE1 3.79Å; Y248-Y293 AromaticContact CE2-CZ 3.94Å; Y248-Y293 HydrophobicContact CG-CE1 4.27Å; Y248-Y293 AromaticContact CG-CE2 3.82Å; Y248-Y293 HydrophobicContact CG-CE2 3.82Å; Y248-Y293 AromaticContact CG-CZ 3.56Å; Y248-Y293 AromaticContact CZ-CE1 3.8Å; Y248-Y293 AromaticContact CZ-CZ 3.96Å; T289-Y293 HydrophobicContact CG2-CD2 3.71Å; T289-Y293 HydrophobicContact CG2-CE2 3.45Å; T289-Y293 VanDerWaalsContact CG2-CE2 3.45Å; T289-Y293 VanDerWaalsContact O-CD2 3.24Å; T289-Y293 WeakPolarHBondContact O-CD2 3.24Å; T289-Y293 PolarHBondContact O-N 2.72Å; T290-Y293 PolarHBondContact O-N 3.01Å; Y293-T296 VanDerWaalsContact CA-OG1 3.29Å; Y293-T296 WeakPolarHBondContact CA-OG1 3.1Å; Y293-T296 PolarHBondContact O-N 3.35Å; Y293-T296 PolarHBondContact O-OG1 3.07Å; Y293-K297 WeakPolarHBondContact O-CB 3.36Å; Y293-K297 PolarHBondContact O-N 3.19Å; Y293-S316 WeakPolarHBondContact OH-CB 3.33Å |
| 294 | W | 97.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.6 | -46.5 | 174.6 | -177.5 | 86.2 | 0 | 0 | 0 | 111.2 | H65 I67 L86 F91 V165 V187 T290 V291 N292 T296 K297 L298 | H65-W294 HydrophobicContact CB-CZ2 3.75Å; H65-W294 PolarHBondContact O-NE1 3.4Å; I67-W294 HydrophobicContact CD1-CB 4.1Å; I67-W294 HydrophobicContact CD1-CD2 4.32Å; I67-W294 HydrophobicContact CD1-CG 3.72Å; I67-W294 HydrophobicContact CG1-CB 4.46Å; I67-W294 HydrophobicContact CG1-CG 3.96Å; L86-W294 HydrophobicContact CD1-CD2 4.43Å; L86-W294 HydrophobicContact CD1-CE3 4.28Å; L86-W294 HydrophobicContact CD1-CZ3 4.44Å; L86-W294 HydrophobicContact CD2-CD2 4.49Å; L86-W294 HydrophobicContact CD2-CE3 3.61Å; L86-W294 HydrophobicContact CD2-CH2 4.48Å; L86-W294 HydrophobicContact CD2-CZ3 3.59Å; F91-W294 AromaticContact CD1-CH2 3.92Å; F91-W294 HydrophobicContact CD1-CH2 3.92Å; F91-W294 HydrophobicContact CD1-CZ3 4.35Å; F91-W294 HydrophobicContact CD2-CH2 4.47Å; F91-W294 HydrophobicContact CD2-CZ3 4.2Å; F91-W294 AromaticContact CE1-CH2 3.86Å; F91-W294 HydrophobicContact CE1-CH2 3.86Å; F91-W294 HydrophobicContact CE1-CZ3 4.06Å; F91-W294 HydrophobicContact CE2-CH2 4.43Å; F91-W294 AromaticContact CE2-CZ3 3.92Å; F91-W294 HydrophobicContact CE2-CZ3 3.92Å; F91-W294 HydrophobicContact CG-CH2 4.22Å; F91-W294 HydrophobicContact CG-CZ3 4.41Å; F91-W294 HydrophobicContact CZ-CH2 4.14Å; F91-W294 AromaticContact CZ-CZ3 3.83Å; F91-W294 HydrophobicContact CZ-CZ3 3.83Å; V165-W294 HydrophobicContact CB-CH2 4.09Å; V165-W294 HydrophobicContact CB-CZ2 3.55Å; V165-W294 HydrophobicContact CG2-CH2 4.46Å; V165-W294 HydrophobicContact CG2-CZ2 3.66Å; V187-W294 HydrophobicContact CG2-CB 3.81Å; T290-W294 WeakPolarHBondContact O-CB 3.41Å; T290-W294 PolarHBondContact O-N 3.46Å; V291-W294 PolarHBondContact O-N 3.18Å; N292-W294 VanDerWaalsContact C-N 3.3Å; N292-W294 PolarHBondContact O-N 3.13Å; W294-T296 PolarHBondContact O-N 3.39Å; W294-K297 PolarHBondContact O-N 3.17Å; W294-L298 HydrophobicContact CH2-CD1 4.49Å; W294-L298 HydrophobicContact CH2-CD2 3.63Å; W294-L298 HydrophobicContact CZ2-CD1 4.4Å; W294-L298 HydrophobicContact CZ2-CD2 4.3Å; W294-L298 HydrophobicContact CZ3-CD2 3.78Å; W294-L298 WeakPolarHBondContact O-CB 3.4Å; W294-L298 PolarHBondContact O-N 3.09Å |
| 295 | L | 95.7 | Very high | 85.2 | Confident | 46 Ų | 46 | 39.8 Ų | 39.8 | 24% | 0.241 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.2 | -73.3 | 169.7 | 0 | 0 | 0 | 111.9 | F91 V291 N292 K297 L298 H299 | F91-L295 HydrophobicContact CE2-CD2 3.83Å; F91-L295 HydrophobicContact CZ-CD2 3.91Å; V291-L295 HydrophobicContact CG1-CD1 3.88Å; V291-L295 HydrophobicContact CG1-CG 4.3Å; V291-L295 WeakPolarHBondContact O-CB 3.46Å; V291-L295 WeakPolarHBondContact O-CG 3.4Å; V291-L295 PolarHBondContact O-N 3.37Å; N292-L295 PolarHBondContact O-N 2.79Å; L295-K297 VanDerWaalsContact C-N 3.3Å; L295-K297 PolarHBondContact O-N 3.39Å; L295-L298 PolarHBondContact O-N 2.74Å; L295-H299 PolarHBondContact O-N 2.94Å; L295-H299 PolarHBondContact O-ND1 3.41Å |
| 296 | T | 91.9 | Very high | 82.5 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 176.8 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | N292 Y293 W294 G300 T301 T302 | N292-T296 WeakPolarHBondContact O-CG2 3.42Å; N292-T296 PolarHBondContact O-N 3.05Å; N292-T296 PolarHBondContact O-OG1 3.5Å; Y293-T296 VanDerWaalsContact CA-OG1 3.29Å; Y293-T296 WeakPolarHBondContact CA-OG1 3.1Å; Y293-T296 PolarHBondContact O-N 3.35Å; Y293-T296 PolarHBondContact O-OG1 3.07Å; W294-T296 PolarHBondContact O-N 3.39Å; T296-G300 PolarHBondContact O-N 2.86Å; T296-T301 WeakPolarHBondContact CA-OG1 3.29Å; T296-T301 PolarHBondContact O-N 2.76Å; T296-T301 PolarHBondContact O-OG1 3.11Å; T296-T302 PolarHBondContact O-N 2.93Å |
| 297 | K | 91.8 | Very high | 79.8 | Confident | 59 Ų | 59 | 51.6 Ų | 51.6 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -71.3 | -40.4 | 178.7 | -164.9 | 65.7 | 176.2 | 172.8 | 0 | 111 | C186 G219 Y293 W294 L295 G300 T302 D304 | C186-K297 HydrophobicContact CB-CB 4.43Å; C186-K297 HydrophobicContact CB-CG 4.21Å; G219-K297 WeakPolarHBondContact O-CE 3.45Å; G219-K297 PolarHBondContact O-NZ 3.37Å; Y293-K297 WeakPolarHBondContact O-CB 3.36Å; Y293-K297 PolarHBondContact O-N 3.19Å; W294-K297 PolarHBondContact O-N 3.17Å; L295-K297 VanDerWaalsContact C-N 3.3Å; L295-K297 PolarHBondContact O-N 3.39Å; K297-G300 PolarHBondContact O-N 2.89Å; K297-T302 HydrophobicContact CD-CG2 4.29Å; K297-D304 IonicContact NZ-OD2 2.67Å |
| 298 | L | 92.4 | Very high | 77.8 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 27% | 0.272 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 176.2 | -175.1 | 72.6 | 0 | 0 | 0 | 112 | H65 F91 W294 L295 G300 | H65-L298 HydrophobicContact CB-CD1 4.46Å; F91-L298 HydrophobicContact CE1-CD2 3.72Å; F91-L298 HydrophobicContact CZ-CD2 3.91Å; W294-L298 HydrophobicContact CH2-CD1 4.49Å; W294-L298 HydrophobicContact CH2-CD2 3.63Å; W294-L298 HydrophobicContact CZ2-CD1 4.4Å; W294-L298 HydrophobicContact CZ2-CD2 4.3Å; W294-L298 HydrophobicContact CZ3-CD2 3.78Å; W294-L298 WeakPolarHBondContact O-CB 3.4Å; W294-L298 PolarHBondContact O-N 3.09Å; L295-L298 PolarHBondContact O-N 2.74Å; L298-G300 VanDerWaalsContact C-N 3.29Å; L298-G300 PolarHBondContact O-N 3.07Å |
| 299 | H | 89.8 | Confident | 76.6 | Confident | 123 Ų | 123 | 63.1 Ų | 63.1 | 57% | 0.569 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -1.9 | -178.3 | -61.3 | 162.3 | 0 | 0 | 0 | 114 | L295 T301 | L295-H299 PolarHBondContact O-N 2.94Å; L295-H299 PolarHBondContact O-ND1 3.41Å; H299-T301 HydrophobicContact CB-CG2 3.9Å; H299-T301 PolarHBondContact O-N 2.87Å |
| 300 | G | 83.1 | Confident | 76.1 | Confident | 53 Ų | 53 | 65.5 Ų | 65.5 | 55% | 0.546 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 23.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | T296 K297 L298 T302 | T296-G300 PolarHBondContact O-N 2.86Å; K297-G300 PolarHBondContact O-N 2.89Å; L298-G300 VanDerWaalsContact C-N 3.29Å; L298-G300 PolarHBondContact O-N 3.07Å; G300-T302 VanDerWaalsContact C-N 3.34Å |
| 301 | T | 69.2 | Low | 75.9 | Confident | 94 Ų | 94 | 65.5 Ų | 65.5 | 58% | 0.577 | 37% | 0.373 | S | S | * | . | trans | -92.5 | 4 | 178.7 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | T296 H299 D303 | T296-T301 WeakPolarHBondContact CA-OG1 3.29Å; T296-T301 PolarHBondContact O-N 2.76Å; T296-T301 PolarHBondContact O-OG1 3.11Å; H299-T301 HydrophobicContact CB-CG2 3.9Å; H299-T301 PolarHBondContact O-N 2.87Å; T301-D303 PolarHBondContact O-N 3.05Å | ||
| 302 | T | 60.3 | Low | 75.7 | Confident | 27 Ų | 27 | 69.4 Ų | 69.4 | 17% | 0.166 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -63.2 | 133.6 | 160.8 | 50.7 | 0 | 0 | 0 | 0 | 106.7 | I221 T296 K297 G300 D304 | I221-T302 HydrophobicContact CD1-CG2 4.06Å; T296-T302 PolarHBondContact O-N 2.93Å; K297-T302 HydrophobicContact CD-CG2 4.29Å; G300-T302 VanDerWaalsContact C-N 3.34Å; T302-D304 WeakPolarHBondContact CB-OD1 3.2Å; T302-D304 PolarHBondContact O-N 2.89Å; T302-D304 VanDerWaalsContact OG1-CG 3.26Å; T302-D304 PolarHBondContact OG1-OD1 2.93Å; T302-D304 PolarHBondContact OG1-OD2 3.36Å |
| 303 | D | 52.2 | Low | 75.6 | Confident | 116 Ų | 116 | 69.8 Ų | 69.8 | 62% | 0.62 | 39% | 0.394 | S | S | * | . | trans | -69.3 | 57.7 | -175.9 | -142.9 | 12.5 | 0 | 0 | 0 | 110 | T301 G305 N306 | T301-D303 PolarHBondContact O-N 3.05Å; D303-G305 PolarHBondContact O-N 3.17Å; D303-N306 PolarHBondContact O-N 3.18Å | ||
| 304 | D | 45.5 | Very low | 75.4 | Confident | 119 Ų | 119 | 73.8 Ų | 73.8 | 64% | 0.636 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -5.7 | -174.5 | -77.2 | 4.2 | 0 | 0 | 0 | 111 | K297 T302 | K297-D304 IonicContact NZ-OD2 2.67Å; T302-D304 WeakPolarHBondContact CB-OD1 3.2Å; T302-D304 PolarHBondContact O-N 2.89Å; T302-D304 VanDerWaalsContact OG1-CG 3.26Å; T302-D304 PolarHBondContact OG1-OD1 2.93Å; T302-D304 PolarHBondContact OG1-OD2 3.36Å |
| 305 | G | 42.6 | Very low | 74.8 | Confident | 72 Ų | 72 | 77.5 Ų | 77.5 | 74% | 0.742 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -15.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D303 | D303-G305 PolarHBondContact O-N 3.17Š|
| 306 | N | 38 | Very low | 74.2 | Confident | 118 Ų | 118 | 77.4 Ų | 77.4 | 63% | 0.631 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -106.8 | 119.8 | 177.1 | -89.1 | -31.2 | 0 | 0 | 0 | 112.1 | D303 K308 | D303-N306 PolarHBondContact O-N 3.18Å; N306-K308 PolarHBondContact O-N 3.4Å |
| 307 | V | 42.9 | Very low | 73.9 | Confident | 132 Ų | 132 | 82.8 Ų | 82.8 | 80% | 0.8 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -37.1 | 112.2 | 175.3 | 178.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 308 | K | 55.1 | Low | 73.9 | Confident | 161 Ų | 161 | 83.8 Ų | 83.8 | 70% | 0.7 | 48% | 0.479 | S | S | * | . | trans | 68.2 | 72.3 | 155.3 | -61.6 | 179.7 | 178 | -175 | 0 | 118.6 | N306 I310 | N306-K308 PolarHBondContact O-N 3.4Å; K308-I310 HydrophobicContact CB-CD1 4.04Å; K308-I310 HydrophobicContact CB-CG1 4.27Å; K308-I310 HydrophobicContact CD-CD1 4.15Å; K308-I310 HydrophobicContact CG-CD1 3.86Å; K308-I310 PolarHBondContact O-N 3.38Å | ||
| 309 | N | 74.6 | Confident | 74.1 | Confident | 81 Ų | 81 | 84.7 Ų | 84.7 | 43% | 0.433 | 48% | 0.481 | S | S | . | . | trans | -76.4 | 73.6 | 151.9 | -69.9 | -19.5 | 0 | 0 | 0 | 109.4 | P246 Q313 | P246-N309 VanDerWaalsContact CA-O 3.25Å; P246-N309 WeakPolarHBondContact CA-O 3.38Å; P246-N309 HydrophobicContact CB-CB 4.14Å; P246-N309 WeakPolarHBondContact CB-O 3.41Å; P246-N309 VanDerWaalsContact CD-O 3.24Å; P246-N309 WeakPolarHBondContact CD-O 3.26Å; N309-Q313 PolarHBondContact OD1-OE1 2.95Å | ||
| 310 | I | 87 | Confident | 74.4 | Confident | 56 Ų | 56 | 79 Ų | 79 | 29% | 0.287 | 46% | 0.455 | S | S | . | . | trans | -107.2 | 142 | 176.1 | -65.5 | 167.5 | 0 | 0 | 0 | 108.9 | N244 K308 Q313 | N244-I310 HydrophobicContact CB-CD1 3.86Å; N244-I310 HydrophobicContact CB-CG1 4.12Å; N244-I310 HydrophobicContact CB-CG2 4.47Å; K308-I310 HydrophobicContact CB-CD1 4.04Å; K308-I310 HydrophobicContact CB-CG1 4.27Å; K308-I310 HydrophobicContact CD-CD1 4.15Å; K308-I310 HydrophobicContact CG-CD1 3.86Å; K308-I310 PolarHBondContact O-N 3.38Å; I310-Q313 PolarHBondContact O-NE2 2.84Å; I310-Q313 VanDerWaalsContact O-NE2 3.13Å | ||
| 311 | G | 92.6 | Very high | 75 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.3 | -158.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | C245 L247 Q313 | C245-G311 PolarHBondContact O-N 3.03Å; L247-G311 PolarHBondContact N-O 3.27Å; G311-Q313 WeakPolarHBondContact O-CG 3.47Å; G311-Q313 PolarHBondContact O-N 3.02Å; G311-Q313 PolarHBondContact O-NE2 2.96Å |
| 312 | L | 95.3 | Very high | 76.3 | Confident | 86 Ų | 86 | 76.8 Ų | 76.8 | 45% | 0.45 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 126 | -175.4 | -172.9 | 64 | 0 | 0 | 0 | 111.8 | M233 I237 L247 V249 | M233-L312 HydrophobicContact CE-CD1 4.22Å; I237-L312 HydrophobicContact CD1-CB 4.47Å; I237-L312 HydrophobicContact CD1-CD2 4.11Å; I237-L312 HydrophobicContact CG1-CB 4.21Å; L247-L312 HydrophobicContact CD2-CD1 4.35Å; L247-L312 HydrophobicContact CG-CD1 4.36Å; V249-L312 HydrophobicContact CG2-CD1 4.11Å |
| 313 | Q | 94.1 | Very high | 78 | Confident | 23 Ų | 23 | 79.7 Ų | 79.7 | 11% | 0.107 | 45% | 0.452 | C | S | . | . | trans | -106.4 | 155 | -179.9 | -59.3 | -53.1 | -60.4 | 0 | 0 | 111.2 | P246 L247 Y248 N309 I310 G311 | P246-Q313 HydrophobicContact CB-CG 3.66Å; L247-Q313 PolarHBondContact O-N 3.45Å; Y248-Q313 HydrophobicContact CD1-CB 3.46Å; Y248-Q313 VanDerWaalsContact CD1-CB 3.46Å; Y248-Q313 HydrophobicContact CD1-CG 4.28Å; Y248-Q313 HydrophobicContact CD2-CB 4.48Å; Y248-Q313 HydrophobicContact CD2-CG 4.49Å; Y248-Q313 HydrophobicContact CE1-CB 3.18Å; Y248-Q313 HydrophobicContact CE1-CG 3.8Å; Y248-Q313 HydrophobicContact CE2-CB 4.26Å; Y248-Q313 HydrophobicContact CE2-CG 4.04Å; Y248-Q313 HydrophobicContact CG-CB 4.13Å; N309-Q313 PolarHBondContact OD1-OE1 2.95Å; I310-Q313 PolarHBondContact O-NE2 2.84Å; I310-Q313 VanDerWaalsContact O-NE2 3.13Å; G311-Q313 WeakPolarHBondContact O-CG 3.47Å; G311-Q313 PolarHBondContact O-N 3.02Å; G311-Q313 PolarHBondContact O-NE2 2.96Å | ||
| 314 | P | 91.3 | Very high | 80.1 | Confident | 103 Ų | 103 | 75.4 Ų | 75.4 | 67% | 0.669 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 145.8 | 171.5 | 26.8 | -34.2 | 0 | 0 | 0 | 111.1 | S316 | P314-S316 PolarHBondContact O-N 3.35Š|
| 315 | T | 86 | Confident | 82.6 | Confident | 77 Ų | 77 | 69.8 Ų | 69.8 | 47% | 0.472 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 133.4 | 174.4 | -51.5 | 0 | 0 | 0 | 0 | 110 | P251 | P251-T315 HydrophobicContact CB-CG2 3.96Å; P251-T315 HydrophobicContact CG-CG2 4.43Å |
| 316 | S | 81.7 | Confident | 85.1 | Confident | 44 Ų | 44 | 69.4 Ų | 69.4 | 31% | 0.308 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -69 | 139.8 | 177 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | Y293 P314 W318 | Y293-S316 WeakPolarHBondContact OH-CB 3.33Å; P314-S316 PolarHBondContact O-N 3.35Å; S316-W318 PolarHBondContact O-N 3.13Å; S316-W318 VanDerWaalsContact OG-CB 3.31Å; S316-W318 WeakPolarHBondContact OG-CB 3.44Å; S316-W318 PolarHBondContact OG-N 3.47Å; S316-W318 VanDerWaalsContact OG-N 3.16Å |
| 317 | D | 85.9 | Confident | 87.9 | Confident | 143 Ų | 143 | 64.9 Ų | 64.9 | 77% | 0.765 | 36% | 0.356 | S | S | * | . | trans | -78.4 | -2.4 | 171.6 | -70.2 | -36.6 | 0 | 0 | 0 | 113.6 | K319 | D317-K319 WeakPolarHBondContact O-CE 3.32Š| ||
| 318 | W | 93.1 | Very high | 90.4 | Very high | 79 Ų | 79 | 58.6 Ų | 58.6 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | trans | -56.2 | 143 | -179.3 | 176.6 | 88 | 0 | 0 | 0 | 112.6 | L256 L288 N292 S316 P320 | L256-W318 HydrophobicContact CD2-CE3 4.47Å; L288-W318 HydrophobicContact CB-CZ3 4.49Å; N292-W318 HydrophobicContact CB-CD2 3.92Å; N292-W318 HydrophobicContact CB-CE3 3.86Å; N292-W318 HydrophobicContact CB-CH2 3.87Å; N292-W318 HydrophobicContact CB-CZ2 3.96Å; N292-W318 HydrophobicContact CB-CZ3 3.83Å; N292-W318 VanDerWaalsContact CG-CD2 3.43Å; N292-W318 VanDerWaalsContact OD1-CE2 3.23Å; N292-W318 PolarHBondContact OD1-NE1 3.38Å; S316-W318 PolarHBondContact O-N 3.13Å; S316-W318 VanDerWaalsContact OG-CB 3.31Å; S316-W318 WeakPolarHBondContact OG-CB 3.44Å; S316-W318 PolarHBondContact OG-N 3.47Å; S316-W318 VanDerWaalsContact OG-N 3.16Å; W318-P320 VanDerWaalsContact CH2-CA 3.48Å; W318-P320 HydrophobicContact CH2-CB 3.55Å; W318-P320 HydrophobicContact CH2-CG 4.44Å; W318-P320 HydrophobicContact CZ2-CB 4.18Å; W318-P320 HydrophobicContact CZ3-CB 3.96Å; W318-P320 HydrophobicContact CZ3-CG 4.37Å | ||
| 319 | K | 94.9 | Very high | 92.2 | Very high | 72 Ų | 72 | 52.6 Ų | 52.6 | 31% | 0.313 | 29% | 0.294 | S | S | . | . | trans | -124.7 | 137 | 176.2 | -52.5 | -62.3 | 171 | -147.2 | 0 | 110.3 | S255 T258 D317 | S255-K319 WeakPolarHBondContact O-CD 3.36Å; S255-K319 VanDerWaalsContact O-CE 3.26Å; S255-K319 WeakPolarHBondContact O-CE 3.34Å; S255-K319 PolarHBondContact O-NZ 3.16Å; T258-K319 HydrophobicContact CG2-CB 4.17Å; T258-K319 HydrophobicContact CG2-CD 3.98Å; T258-K319 HydrophobicContact CG2-CG 3.76Å; D317-K319 WeakPolarHBondContact O-CE 3.32Å | ||
| 320 | P | 96.1 | Very high | 93 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | trans | -70 | 147.8 | 176.1 | 29.8 | -35 | 0 | 0 | 0 | 111.1 | L256 N261 L288 W318 V324 | L256-P320 HydrophobicContact CB-CG 4.43Å; L256-P320 WeakPolarHBondContact O-CD 3.31Å; N261-P320 VanDerWaalsContact CB-O 3.31Å; N261-P320 WeakPolarHBondContact CB-O 3.3Å; N261-P320 PolarHBondContact ND2-O 2.84Å; L288-P320 HydrophobicContact CD1-CG 4.37Å; L288-P320 HydrophobicContact CD2-CB 4.12Å; L288-P320 HydrophobicContact CD2-CG 4.49Å; W318-P320 VanDerWaalsContact CH2-CA 3.48Å; W318-P320 HydrophobicContact CH2-CB 3.55Å; W318-P320 HydrophobicContact CH2-CG 4.44Å; W318-P320 HydrophobicContact CZ2-CB 4.18Å; W318-P320 HydrophobicContact CZ3-CB 3.96Å; W318-P320 HydrophobicContact CZ3-CG 4.37Å; P320-V324 HydrophobicContact CB-CB 4.31Å; P320-V324 HydrophobicContact CB-CG1 4.09Å | ||
| 321 | S | 96.4 | Very high | 93.4 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 42% | 0.42 | 29% | 0.287 | S | S | . | . | trans | -65.8 | 158.3 | 164.5 | 70.3 | 0 | 0 | 0 | 0 | 110.7 | T323 V324 L325 | S321-T323 PolarHBondContact O-N 3Å; S321-V324 PolarHBondContact O-N 2.88Å; S321-V324 WeakPolarHBondContact OG-CG2 3.48Å; S321-V324 PolarHBondContact OG-N 2.78Å; S321-L325 WeakPolarHBondContact O-CB 3.31Å; S321-L325 PolarHBondContact O-N 2.7Å | ||
| 322 | S | 96.5 | Very high | 93.3 | Very high | 40 Ų | 40 | 60.1 Ų | 60.1 | 28% | 0.28 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.3 | -37.4 | 174.3 | 53.3 | 0 | 0 | 0 | 0 | 112.1 | N261 I266 L325 L326 | N261-S322 WeakPolarHBondContact O-CB 3.24Å; I266-S322 WeakPolarHBondContact CD1-O 3.39Å; S322-L325 PolarHBondContact O-N 3.24Å; S322-L326 VanDerWaalsContact O-CB 3.29Å; S322-L326 WeakPolarHBondContact O-CB 3.31Å; S322-L326 PolarHBondContact O-N 2.88Å |
| 323 | T | 96.5 | Very high | 93.2 | Very high | 88 Ų | 88 | 58.2 Ų | 58.2 | 54% | 0.54 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 176 | -51.8 | 0 | 0 | 0 | 0 | 112 | S321 L325 L326 N327 | S321-T323 PolarHBondContact O-N 3Å; T323-L325 VanDerWaalsContact C-N 3.33Å; T323-L325 PolarHBondContact O-N 3.49Å; T323-L326 PolarHBondContact O-N 2.9Å; T323-N327 WeakPolarHBondContact O-CB 3.42Å; T323-N327 PolarHBondContact O-N 2.92Å; T323-N327 PolarHBondContact O-ND2 3.26Å; T323-N327 PolarHBondContact O-OD1 3.29Å |
| 324 | V | 97.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 57.9 Ų | 57.9 | 16% | 0.158 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 178.7 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | I85 L288 P320 S321 N327 A328 | I85-V324 HydrophobicContact CG2-CG1 3.98Å; L288-V324 HydrophobicContact CD2-CG1 3.67Å; P320-V324 HydrophobicContact CB-CB 4.31Å; P320-V324 HydrophobicContact CB-CG1 4.09Å; S321-V324 PolarHBondContact O-N 2.88Å; S321-V324 WeakPolarHBondContact OG-CG2 3.48Å; S321-V324 PolarHBondContact OG-N 2.78Å; V324-N327 PolarHBondContact O-N 3.37Å; V324-A328 WeakPolarHBondContact O-CB 3.21Å; V324-A328 PolarHBondContact O-N 3.32Å |
| 325 | L | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 177.4 | -177 | 56 | 0 | 0 | 0 | 112.1 | L257 I266 L288 S321 S322 T323 A328 L329 | L257-L325 HydrophobicContact CD2-CD1 4.36Å; L257-L325 HydrophobicContact CD2-CD2 3.46Å; L257-L325 VanDerWaalsContact CD2-CD2 3.46Å; I266-L325 HydrophobicContact CD1-CB 4.13Å; I266-L325 HydrophobicContact CD1-CD2 4Å; I266-L325 HydrophobicContact CD1-CG 4.06Å; I266-L325 HydrophobicContact CG2-CD2 3.74Å; I266-L325 HydrophobicContact CG2-CG 4.19Å; L288-L325 HydrophobicContact CD1-CD1 3.81Å; S321-L325 WeakPolarHBondContact O-CB 3.31Å; S321-L325 PolarHBondContact O-N 2.7Å; S322-L325 PolarHBondContact O-N 3.24Å; T323-L325 VanDerWaalsContact C-N 3.33Å; T323-L325 PolarHBondContact O-N 3.49Å; L325-A328 WeakPolarHBondContact O-CB 3.5Å; L325-A328 PolarHBondContact O-N 2.94Å; L325-L329 HydrophobicContact CD1-CD1 4.33Å; L325-L329 HydrophobicContact CG-CD1 4.18Å; L325-L329 WeakPolarHBondContact O-CG 3.47Å; L325-L329 PolarHBondContact O-N 3.45Å |
| 326 | L | 95.2 | Very high | 93.5 | Very high | 65 Ų | 65 | 52.4 Ų | 52.4 | 34% | 0.34 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 176.5 | -174.3 | 64.7 | 0 | 0 | 0 | 111.7 | I266 I269 S322 T323 A328 L329 S330 | I266-L326 HydrophobicContact CD1-CB 4.35Å; I266-L326 HydrophobicContact CG1-CB 4.39Å; I266-L326 HydrophobicContact CG1-CD1 4.28Å; I269-L326 HydrophobicContact CD1-CD1 3.79Å; S322-L326 VanDerWaalsContact O-CB 3.29Å; S322-L326 WeakPolarHBondContact O-CB 3.31Å; S322-L326 PolarHBondContact O-N 2.88Å; T323-L326 PolarHBondContact O-N 2.9Å; L326-A328 VanDerWaalsContact C-N 3.32Å; L326-A328 PolarHBondContact O-N 3.02Å; L326-L329 PolarHBondContact O-N 3.43Å; L326-S330 WeakPolarHBondContact O-CB 3.42Å; L326-S330 PolarHBondContact O-N 3.04Å; L326-S330 PolarHBondContact O-OG 3.24Å |
| 327 | N | 96.7 | Very high | 93.8 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 175 | -70.7 | -14.4 | 0 | 0 | 0 | 110.5 | N84 I85 Q88 T323 V324 L329 S330 A331 | N84-N327 PolarHBondContact ND2-O 2.71Å; I85-N327 HydrophobicContact CG1-CB 4.38Å; Q88-N327 HydrophobicContact CB-CB 4.22Å; Q88-N327 VanDerWaalsContact CB-ND2 3.3Å; Q88-N327 WeakPolarHBondContact CB-ND2 3.27Å; Q88-N327 HydrophobicContact CG-CB 4.48Å; T323-N327 WeakPolarHBondContact O-CB 3.42Å; T323-N327 PolarHBondContact O-N 2.92Å; T323-N327 PolarHBondContact O-ND2 3.26Å; T323-N327 PolarHBondContact O-OD1 3.29Å; V324-N327 PolarHBondContact O-N 3.37Å; N327-L329 PolarHBondContact O-N 3.29Å; N327-S330 PolarHBondContact O-N 3.15Å; N327-S330 PolarHBondContact O-OG 2.81Å; N327-A331 PolarHBondContact O-N 3.1Å |
| 328 | A | 96 | Very high | 94.1 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I85 L284 L288 V324 L325 L326 S330 A331 | I85-A328 HydrophobicContact CD1-CB 3.56Å; I85-A328 HydrophobicContact CG1-CB 3.7Å; L284-A328 HydrophobicContact CD1-CB 3.36Å; L288-A328 HydrophobicContact CD2-CB 3.76Å; L288-A328 HydrophobicContact CG-CB 4.25Å; V324-A328 WeakPolarHBondContact O-CB 3.21Å; V324-A328 PolarHBondContact O-N 3.32Å; L325-A328 WeakPolarHBondContact O-CB 3.5Å; L325-A328 PolarHBondContact O-N 2.94Å; L326-A328 VanDerWaalsContact C-N 3.32Å; L326-A328 PolarHBondContact O-N 3.02Å; A328-S330 VanDerWaalsContact C-N 3.33Å; A328-S330 PolarHBondContact O-N 3.05Å; A328-A331 VanDerWaalsContact O-CB 3.29Å; A328-A331 WeakPolarHBondContact O-CB 3.33Å; A328-A331 PolarHBondContact O-N 3.09Å |
| 329 | L | 92.5 | Very high | 94.2 | Very high | 34 Ų | 34 | 46.9 Ų | 46.9 | 18% | 0.178 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.3 | -28.1 | 178.8 | -73.7 | 168.5 | 0 | 0 | 0 | 113.9 | I266 I269 L270 L284 L325 L326 N327 A331 | I266-L329 HydrophobicContact CG1-CD1 4.33Å; I266-L329 HydrophobicContact CG2-CD1 3.97Å; I269-L329 HydrophobicContact CD1-CB 4.4Å; I269-L329 HydrophobicContact CD1-CD1 4.46Å; I269-L329 HydrophobicContact CG2-CB 4.42Å; I269-L329 HydrophobicContact CG2-CD1 4.23Å; I269-L329 HydrophobicContact CG2-CD2 4.05Å; I269-L329 HydrophobicContact CG2-CG 4.49Å; L270-L329 HydrophobicContact CD2-CD2 3.94Å; L284-L329 HydrophobicContact CD2-CD2 3.52Å; L284-L329 HydrophobicContact CD2-CG 4.18Å; L325-L329 HydrophobicContact CD1-CD1 4.33Å; L325-L329 HydrophobicContact CG-CD1 4.18Å; L325-L329 WeakPolarHBondContact O-CG 3.47Å; L325-L329 PolarHBondContact O-N 3.45Å; L326-L329 PolarHBondContact O-N 3.43Å; N327-L329 PolarHBondContact O-N 3.29Å; L329-A331 VanDerWaalsContact C-N 3.27Å; L329-A331 PolarHBondContact O-N 2.84Å |
| 330 | S | 92.7 | Very high | 94.2 | Very high | 56 Ų | 56 | 43.6 Ų | 43.6 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -6.9 | 178.7 | 71.9 | 0 | 0 | 0 | 0 | 113.9 | N84 L326 N327 A328 | N84-S330 PolarHBondContact ND2-OG 3.22Å; L326-S330 WeakPolarHBondContact O-CB 3.42Å; L326-S330 PolarHBondContact O-N 3.04Å; L326-S330 PolarHBondContact O-OG 3.24Å; N327-S330 PolarHBondContact O-N 3.15Å; N327-S330 PolarHBondContact O-OG 2.81Å; A328-S330 VanDerWaalsContact C-N 3.33Å; A328-S330 PolarHBondContact O-N 3.05Å |
| 331 | A | 94.3 | Very high | 94.1 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 19% | 0.19 | 25% | 0.249 | C | C | . | . | trans | -60.7 | 138 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | M81 N84 N327 A328 L329 | M81-A331 HydrophobicContact CB-CB 4.33Å; M81-A331 HydrophobicContact CG-CB 3.86Å; N84-A331 HydrophobicContact CB-CB 3.88Å; N84-A331 PolarHBondContact ND2-N 3.42Å; N327-A331 PolarHBondContact O-N 3.1Å; A328-A331 VanDerWaalsContact O-CB 3.29Å; A328-A331 WeakPolarHBondContact O-CB 3.33Å; A328-A331 PolarHBondContact O-N 3.09Å; L329-A331 VanDerWaalsContact C-N 3.27Å; L329-A331 PolarHBondContact O-N 2.84Å | ||
| 332 | R | 90.8 | Very high | 94.1 | Very high | 217 Ų | 217 | 48 Ų | 48 | 82% | 0.819 | 24% | 0.24 | S | C | * | . | trans | -122.7 | 131.4 | 177.4 | -63.7 | -174.1 | -179.3 | -161.5 | -0.3 | 109.1 | S80 | S80-R332 PolarHBondContact OG-O 3.43Å; S80-R332 VanDerWaalsContact OG-O 3.08Å | ||
| 333 | W | 92.5 | Very high | 93.8 | Very high | 46 Ų | 46 | 52.9 Ų | 52.9 | 17% | 0.174 | 26% | 0.257 | C | S | . | . | trans | -123.4 | 112.9 | 171.8 | -162.9 | -122 | 0 | 0 | 0 | 109.4 | F95 G335 R336 | F95-W333 HydrophobicContact CD1-CH2 4.17Å; F95-W333 HydrophobicContact CD1-CZ3 4.16Å; F95-W333 HydrophobicContact CE1-CE3 4.25Å; F95-W333 AromaticContact CE1-CH2 3.27Å; F95-W333 HydrophobicContact CE1-CH2 3.27Å; F95-W333 AromaticContact CE1-CZ2 3.99Å; F95-W333 HydrophobicContact CE1-CZ2 3.99Å; F95-W333 AromaticContact CE1-CZ3 3.43Å; F95-W333 HydrophobicContact CE1-CZ3 3.43Å; F95-W333 VanDerWaalsContact CE1-CZ3 3.43Å; F95-W333 AromaticContact CZ-CH2 3.77Å; F95-W333 HydrophobicContact CZ-CH2 3.77Å; F95-W333 HydrophobicContact CZ-CZ2 4.07Å; F95-W333 HydrophobicContact CZ-CZ3 4.32Å; W333-G335 PolarHBondContact O-N 3.06Å; W333-R336 HydrophobicContact CB-CB 4.49Å; W333-R336 PolarHBondContact O-N 3.17Å; W333-R336 VanDerWaalsContact O-N 3.17Å | ||
| 334 | P | 93 | Very high | 93.6 | Very high | 15 Ų | 15 | 49.9 Ų | 49.9 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 142.2 | -176.6 | -26 | 32.8 | 0 | 0 | 0 | 112.3 | L101 R336 L514 V521 | L101-P334 HydrophobicContact CD1-CB 3.56Å; L101-P334 WeakPolarHBondContact CD1-O 3.38Å; P334-R336 PolarHBondContact O-N 3.32Å; P334-L514 HydrophobicContact CB-CD1 4.46Å; P334-V521 HydrophobicContact CB-CG1 3.76Å; P334-V521 HydrophobicContact CG-CB 4.44Å; P334-V521 HydrophobicContact CG-CG1 3.77Å; P334-V521 VanDerWaalsContact CG-OXT 3.23Å; P334-V521 WeakPolarHBondContact CG-OXT 3.49Å |
| 335 | G | 92.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 17.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | W333 D350 G351 V510 | W333-G335 PolarHBondContact O-N 3.06Å; G335-D350 WeakPolarHBondContact O-CA 3.43Å; G335-G351 PolarHBondContact O-N 3.21Å; G335-V510 VanDerWaalsContact CA-CG1 3.46Å |
| 336 | R | 91.7 | Very high | 93.5 | Very high | 65 Ų | 65 | 50 Ų | 50 | 25% | 0.245 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -122.9 | 108.5 | 168 | -64.2 | -58.9 | -179.1 | -166.6 | -6.3 | 109.9 | W333 P334 Q338 D350 G351 | W333-R336 HydrophobicContact CB-CB 4.49Å; W333-R336 PolarHBondContact O-N 3.17Å; W333-R336 VanDerWaalsContact O-N 3.17Å; P334-R336 PolarHBondContact O-N 3.32Å; R336-Q338 PolarHBondContact O-N 3.2Å; R336-Q338 VanDerWaalsContact O-N 3.1Å; R336-D350 WeakPolarHBondContact CA-OD2 3.12Å; R336-D350 IonicContact NH1-OD1 3.64Å; R336-G351 VanDerWaalsContact NH1-C 3.26Å; R336-G351 PolarHBondContact NH1-O 2.96Å |
| 337 | W | 89.1 | Confident | 93.6 | Very high | 47 Ų | 47 | 47 Ų | 47 | 18% | 0.178 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 51.5 | 33.2 | 179.3 | -42.6 | 84.8 | 0 | 0 | 0 | 112.7 | P277 Q280 L349 D350 S360 W364 | P277-W337 HydrophobicContact CB-CH2 4.06Å; P277-W337 HydrophobicContact CB-CZ2 4.14Å; P277-W337 HydrophobicContact CG-CD2 3.87Å; P277-W337 HydrophobicContact CG-CE3 3.63Å; P277-W337 HydrophobicContact CG-CH2 3.26Å; P277-W337 HydrophobicContact CG-CZ2 3.49Å; P277-W337 VanDerWaalsContact CG-CZ2 3.49Å; P277-W337 HydrophobicContact CG-CZ3 3.33Å; Q280-W337 VanDerWaalsContact NE2-CD1 3.29Å; Q280-W337 VanDerWaalsContact NE2-NE1 3.17Å; W337-L349 PolarHBondContact N-O 3.34Å; W337-D350 PolarHBondContact N-OD2 2.84Å; W337-D350 VanDerWaalsContact N-OD2 3.09Å; W337-D350 PolarHBondContact NE1-OD2 3.1Å; W337-S360 WeakPolarHBondContact CZ3-O 3.24Å; W337-W364 VanDerWaalsContact C-CH2 3.49Å; W337-W364 HydrophobicContact CB-CH2 4.49Å; W337-W364 HydrophobicContact CB-CZ2 4.06Å; W337-W364 HydrophobicContact CE3-CB 3.56Å; W337-W364 AromaticContact CE3-CD1 3.83Å; W337-W364 AromaticContact CE3-CD2 3.5Å; W337-W364 HydrophobicContact CE3-CD2 3.5Å; W337-W364 VanDerWaalsContact CE3-CD2 3.5Å; W337-W364 AromaticContact CE3-CE3 3.86Å; W337-W364 HydrophobicContact CE3-CE3 3.86Å; W337-W364 AromaticContact CE3-CG 3.37Å; W337-W364 HydrophobicContact CE3-CG 3.37Å; W337-W364 HydrophobicContact CZ3-CB 3.28Å; W337-W364 HydrophobicContact CZ3-CD2 4.07Å; W337-W364 HydrophobicContact CZ3-CE3 4.28Å; W337-W364 AromaticContact CZ3-CG 3.68Å; W337-W364 HydrophobicContact CZ3-CG 3.68Å; W337-W364 VanDerWaalsContact O-CZ2 3.3Å; W337-W364 WeakPolarHBondContact O-CZ2 3.09Å |
| 338 | Q | 93 | Very high | 93.6 | Very high | 28 Ų | 28 | 46.3 Ų | 46.3 | 13% | 0.131 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 129.7 | -173.7 | -179.9 | -176.1 | 6.4 | 0 | 0 | 109.2 | R336 V340 L349 E519 | R336-Q338 PolarHBondContact O-N 3.2Å; R336-Q338 VanDerWaalsContact O-N 3.1Å; Q338-V340 HydrophobicContact CG-CG2 3.83Å; Q338-L349 HydrophobicContact CB-CB 4.23Å; Q338-L349 HydrophobicContact CG-CD1 4.47Å; Q338-L349 PolarHBondContact N-O 3.29Å; Q338-L349 PolarHBondContact O-N 3.25Å; Q338-E519 PolarHBondContact NE2-OE1 2.8Å |
| 339 | I | 93.7 | Very high | 93.6 | Very high | 75 Ų | 75 | 46.2 Ų | 46.2 | 39% | 0.385 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125.4 | 174.1 | -54.2 | -180 | 0 | 0 | 0 | 108 | T346 Y347 Y348 W364 K368 | I339-T346 HydrophobicContact CG2-CG2 3.56Å; I339-Y347 CarbonylContact C-O 3.58Å; I339-Y347 WeakPolarHBondContact CA-O 3.41Å; I339-Y348 HydrophobicContact CD1-CD1 4.12Å; I339-Y348 HydrophobicContact CD1-CE1 3.93Å; I339-Y348 HydrophobicContact CG1-CD1 3.95Å; I339-Y348 HydrophobicContact CG1-CE1 4.18Å; I339-Y348 HydrophobicContact CG2-CE1 4.34Å; I339-W364 HydrophobicContact CD1-CZ2 4.09Å; I339-W364 HydrophobicContact CG1-CH2 4.22Å; I339-W364 HydrophobicContact CG1-CZ2 3.6Å; I339-K368 HydrophobicContact CD1-CB 4.49Å; I339-K368 HydrophobicContact CD1-CD 4.4Å; I339-K368 HydrophobicContact CD1-CG 4.17Å |
| 340 | V | 95.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 122.5 | 179.1 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | Q338 R342 Y347 L349 I517 E519 | Q338-V340 HydrophobicContact CG-CG2 3.83Å; V340-R342 HydrophobicContact CG1-CG 4.32Å; V340-Y347 PolarHBondContact N-O 3.41Å; V340-Y347 PolarHBondContact O-N 3.41Å; V340-L349 HydrophobicContact CG2-CD1 3.8Å; V340-I517 HydrophobicContact CB-CD1 4.15Å; V340-I517 HydrophobicContact CG1-CD1 3.81Å; V340-E519 HydrophobicContact CG1-CB 4.43Å; V340-E519 HydrophobicContact CG1-CG 4.25Å; V340-E519 WeakPolarHBondContact CG1-OE2 3.49Å; V340-E519 HydrophobicContact CG2-CG 3.96Å |
| 341 | V | 94.7 | Very high | 93.8 | Very high | 90 Ų | 90 | 42.1 Ų | 42.1 | 55% | 0.545 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131 | 174.7 | -177 | 0 | 0 | 0 | 0 | 109 | T346 | V341-T346 HydrophobicContact CG2-CG2 4.14Å |
| 342 | R | 94.5 | Very high | 93.7 | Very high | 65 Ų | 65 | 41 Ų | 41 | 25% | 0.245 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 114.2 | 173 | -69.3 | -64.5 | -171.2 | -91.6 | 2.6 | 109.4 | V340 N344 I345 Y347 I517 D518 E519 | V340-R342 HydrophobicContact CG1-CG 4.32Å; R342-N344 PolarHBondContact O-N 2.95Å; R342-N344 VanDerWaalsContact O-N 3.08Å; R342-I345 PolarHBondContact N-O 3.49Å; R342-I345 PolarHBondContact O-N 2.88Å; R342-Y347 HydrophobicContact CB-CE2 4.12Å; R342-Y347 HydrophobicContact CG-CE2 4.39Å; R342-I517 HydrophobicContact CG-CB 4.22Å; R342-I517 PolarHBondContact NE-O 3.43Å; R342-I517 PolarHBondContact NH2-O 3.18Å; R342-D518 PolarHBondContact NH2-O 3.44Å; R342-E519 IonicContact CZ-OE2 2.99Å; R342-E519 VanDerWaalsContact CZ-OE2 3.3Å; R342-E519 IonicContact NH1-OE2 3.37Å; R342-E519 PolarHBondContact NH1-OE2 3.39Å; R342-E519 VanDerWaalsContact NH1-OE2 3.16Å; R342-E519 IonicContact NH2-OE2 3.9Å; R342-E519 PolarHBondContact NH2-OE2 3.21Å |
| 343 | K | 91 | Very high | 93.6 | Very high | 144 Ų | 144 | 33.2 Ų | 33.2 | 63% | 0.626 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | -113.8 | -173.8 | -55.6 | 178.4 | -172.4 | 171.3 | 0 | 110.3 | Q470 | K343-Q470 PolarHBondContact NZ-O 3.17Š|
| 344 | N | 91.7 | Very high | 93.4 | Very high | 24 Ų | 24 | 32.7 Ų | 32.7 | 13% | 0.128 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 12.1 | -178.3 | 59.4 | -24.8 | 0 | 0 | 0 | 113.6 | R342 L472 F475 T497 F498 C499 | R342-N344 PolarHBondContact O-N 2.95Å; R342-N344 VanDerWaalsContact O-N 3.08Å; N344-L472 PolarHBondContact ND2-O 2.98Å; N344-L472 VanDerWaalsContact ND2-O 3.13Å; N344-F475 HydrophobicContact CB-CE2 4.45Å; N344-F475 WeakPolarHBondContact ND2-CE2 3.44Å; N344-F475 WeakPolarHBondContact ND2-CZ 3.21Å; N344-T497 VanDerWaalsContact CB-O 3.24Å; N344-T497 WeakPolarHBondContact CB-O 3.39Å; N344-T497 PolarHBondContact ND2-O 3.32Å; N344-F498 WeakPolarHBondContact O-CA 3.36Å; N344-C499 PolarHBondContact O-N 3.09Å |
| 345 | I | 95.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.1 | 179.1 | -49.5 | -178.2 | 0 | 0 | 0 | 110.2 | R342 Y347 I469 Q470 F475 C499 V501 | R342-I345 PolarHBondContact N-O 3.49Å; R342-I345 PolarHBondContact O-N 2.88Å; I345-Y347 HydrophobicContact CB-CE2 3.87Å; I345-Y347 HydrophobicContact CG2-CD2 4Å; I345-Y347 HydrophobicContact CG2-CE1 4.14Å; I345-Y347 HydrophobicContact CG2-CE2 3.53Å; I345-Y347 HydrophobicContact CG2-CG 4.48Å; I345-I469 HydrophobicContact CD1-CB 4.44Å; I345-I469 HydrophobicContact CD1-CG1 4.04Å; I345-I469 HydrophobicContact CD1-CG2 3.98Å; I345-Q470 HydrophobicContact CD1-CG 4.22Å; I345-F475 HydrophobicContact CD1-CE1 4.41Å; I345-F475 HydrophobicContact CD1-CZ 4.08Å; I345-F475 HydrophobicContact CG1-CZ 3.82Å; I345-C499 CarbonylContact C-O 3.01Å; I345-C499 VanDerWaalsContact CA-O 3.26Å; I345-C499 WeakPolarHBondContact CA-O 3.3Å; I345-C499 HydrophobicContact CG1-CB 4.27Å; I345-C499 HydrophobicContact CG2-CB 4.38Å; I345-V501 HydrophobicContact CG2-CG2 3.68Å |
| 346 | T | 96 | Very high | 93.1 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 17% | 0.172 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 116 | 169.4 | -49.3 | 0 | 0 | 0 | 0 | 109.6 | I339 V341 Y348 C499 D500 V501 | I339-T346 HydrophobicContact CG2-CG2 3.56Å; V341-T346 HydrophobicContact CG2-CG2 4.14Å; T346-Y348 HydrophobicContact CG2-CD2 4.23Å; T346-Y348 HydrophobicContact CG2-CE1 4.34Å; T346-Y348 HydrophobicContact CG2-CE2 3.57Å; T346-Y348 WeakPolarHBondContact O-CD2 3.24Å; T346-C499 PolarHBondContact N-O 2.56Å; T346-D500 VanDerWaalsContact CB-OD1 3.31Å; T346-D500 WeakPolarHBondContact CB-OD1 3.23Å; T346-D500 CarbonylContact O-C 3.57Å; T346-D500 WeakPolarHBondContact O-CA 3.19Å; T346-D500 PolarHBondContact OG1-OD1 3.48Å; T346-V501 PolarHBondContact O-N 2.74Å |
| 347 | Y | 97.5 | Very high | 93 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 128.3 | 175.2 | -63.4 | -90.5 | 0 | 0 | 0 | 110.5 | I339 V340 R342 I345 Q470 V501 V503 I513 I517 | I339-Y347 CarbonylContact C-O 3.58Å; I339-Y347 WeakPolarHBondContact CA-O 3.41Å; V340-Y347 PolarHBondContact N-O 3.41Å; V340-Y347 PolarHBondContact O-N 3.41Å; R342-Y347 HydrophobicContact CB-CE2 4.12Å; R342-Y347 HydrophobicContact CG-CE2 4.39Å; I345-Y347 HydrophobicContact CB-CE2 3.87Å; I345-Y347 HydrophobicContact CG2-CD2 4Å; I345-Y347 HydrophobicContact CG2-CE1 4.14Å; I345-Y347 HydrophobicContact CG2-CE2 3.53Å; I345-Y347 HydrophobicContact CG2-CG 4.48Å; Y347-Q470 WeakPolarHBondContact OH-CG 3.36Å; Y347-V501 CarbonylContact C-O 3.47Å; Y347-V501 WeakPolarHBondContact CA-O 3.41Å; Y347-V501 HydrophobicContact CD1-CB 3.93Å; Y347-V501 HydrophobicContact CD1-CG1 4.18Å; Y347-V501 HydrophobicContact CD1-CG2 4.49Å; Y347-V501 HydrophobicContact CE1-CB 4.22Å; Y347-V501 HydrophobicContact CE1-CG1 4.34Å; Y347-V501 HydrophobicContact CE1-CG2 4.34Å; Y347-V503 HydrophobicContact CD1-CG2 4.44Å; Y347-I513 HydrophobicContact CD1-CG2 3.82Å; Y347-I513 HydrophobicContact CE1-CG2 4.11Å; Y347-I513 HydrophobicContact CG-CG2 4.5Å; Y347-I517 HydrophobicContact CD2-CD1 4.13Å; Y347-I517 HydrophobicContact CD2-CG2 4.46Å; Y347-I517 HydrophobicContact CE1-CG2 4.26Å; Y347-I517 HydrophobicContact CE2-CG2 3.9Å; Y347-I517 HydrophobicContact CG-CD1 4.3Å |
| 348 | Y | 96.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 109.8 | 173.6 | -61.1 | -95.7 | 0 | 0 | 0 | 107.6 | I339 T346 W364 F365 K368 S369 D500 V501 L502 V503 | I339-Y348 HydrophobicContact CD1-CD1 4.12Å; I339-Y348 HydrophobicContact CD1-CE1 3.93Å; I339-Y348 HydrophobicContact CG1-CD1 3.95Å; I339-Y348 HydrophobicContact CG1-CE1 4.18Å; I339-Y348 HydrophobicContact CG2-CE1 4.34Å; T346-Y348 HydrophobicContact CG2-CD2 4.23Å; T346-Y348 HydrophobicContact CG2-CE1 4.34Å; T346-Y348 HydrophobicContact CG2-CE2 3.57Å; T346-Y348 WeakPolarHBondContact O-CD2 3.24Å; Y348-W364 HydrophobicContact CD1-CH2 4.04Å; Y348-W364 HydrophobicContact CD1-CZ2 4.14Å; Y348-W364 HydrophobicContact CD1-CZ3 4.44Å; Y348-W364 HydrophobicContact CG-CH2 4.4Å; Y348-F365 HydrophobicContact CD1-CD2 4.17Å; Y348-F365 AromaticContact CD2-CD2 3.53Å; Y348-F365 HydrophobicContact CD2-CD2 3.53Å; Y348-F365 AromaticContact CD2-CE2 3.47Å; Y348-F365 HydrophobicContact CD2-CE2 3.47Å; Y348-F365 VanDerWaalsContact CD2-CE2 3.47Å; Y348-F365 HydrophobicContact CE2-CD2 4.06Å; Y348-F365 AromaticContact CE2-CE2 3.78Å; Y348-F365 HydrophobicContact CE2-CE2 3.78Å; Y348-F365 AromaticContact CG-CD2 3.58Å; Y348-F365 HydrophobicContact CG-CD2 3.58Å; Y348-F365 HydrophobicContact CG-CE2 4.04Å; Y348-K368 HydrophobicContact CD1-CB 4.28Å; Y348-K368 HydrophobicContact CE1-CB 3.54Å; Y348-K368 HydrophobicContact CE1-CG 4.47Å; Y348-S369 WeakPolarHBondContact OH-CA 3.48Å; Y348-D500 HydrophobicContact CE2-CB 3.82Å; Y348-D500 PolarHBondContact OH-OD2 3.13Å; Y348-V501 PolarHBondContact N-O 3.39Å; Y348-L502 CarbonylContact O-C 3.59Å; Y348-L502 WeakPolarHBondContact O-CA 3.48Å; Y348-L502 WeakPolarHBondContact O-CD1 3.3Å; Y348-V503 PolarHBondContact O-N 2.96Å |
| 349 | L | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 115.1 | -166.5 | -52.8 | 176.5 | 0 | 0 | 0 | 110.2 | W337 Q338 V340 V503 V510 I513 L514 | W337-L349 PolarHBondContact N-O 3.34Å; Q338-L349 HydrophobicContact CB-CB 4.23Å; Q338-L349 HydrophobicContact CG-CD1 4.47Å; Q338-L349 PolarHBondContact N-O 3.29Å; Q338-L349 PolarHBondContact O-N 3.25Å; V340-L349 HydrophobicContact CG2-CD1 3.8Å; L349-V503 HydrophobicContact CD2-CB 3.6Å; L349-V503 HydrophobicContact CD2-CG1 4.28Å; L349-V503 HydrophobicContact CD2-CG2 3.57Å; L349-V510 HydrophobicContact CB-CG1 3.89Å; L349-I513 HydrophobicContact CD2-CB 4.34Å; L349-I513 HydrophobicContact CD2-CG2 3.84Å; L349-L514 HydrophobicContact CD1-CD2 3.38Å; L349-L514 HydrophobicContact CD1-CG 3.92Å |
| 350 | D | 95 | Very high | 93 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | trans | -143.5 | 123.2 | 171.2 | -167.4 | -87.2 | 0 | 0 | 0 | 112.7 | G335 R336 W337 A352 A361 W364 V503 T504 | G335-D350 WeakPolarHBondContact O-CA 3.43Å; R336-D350 WeakPolarHBondContact CA-OD2 3.12Å; R336-D350 IonicContact NH1-OD1 3.64Å; W337-D350 PolarHBondContact N-OD2 2.84Å; W337-D350 VanDerWaalsContact N-OD2 3.09Å; W337-D350 PolarHBondContact NE1-OD2 3.1Å; D350-A352 PolarHBondContact O-N 3.45Å; D350-A352 WeakPolarHBondContact OD1-CB 3.48Å; D350-A352 PolarHBondContact OD1-N 3.06Å; D350-A361 HydrophobicContact CB-CB 4.15Å; D350-W364 HydrophobicContact CB-CZ3 4.39Å; D350-V503 PolarHBondContact N-O 3.46Å; D350-V503 VanDerWaalsContact N-O 3.09Å; D350-T504 VanDerWaalsContact O-CA 3.27Å; D350-T504 WeakPolarHBondContact O-CA 3.32Å; D350-T504 VanDerWaalsContact O-CB 3.3Å; D350-T504 WeakPolarHBondContact O-CB 3.45Å; D350-T504 PolarHBondContact O-OG1 2.87Å | ||
| 351 | G | 93.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -74.9 | 40.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G335 R336 H353 | G335-G351 PolarHBondContact O-N 3.21Å; R336-G351 VanDerWaalsContact NH1-C 3.26Å; R336-G351 PolarHBondContact NH1-O 2.96Å; G351-H353 PolarHBondContact O-ND1 2.9Å | ||
| 352 | A | 91.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | trans | -60.5 | 134.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | D350 S357 A361 T504 G505 S506 | D350-A352 PolarHBondContact O-N 3.45Å; D350-A352 WeakPolarHBondContact OD1-CB 3.48Å; D350-A352 PolarHBondContact OD1-N 3.06Å; A352-S357 WeakPolarHBondContact CA-OG 3.49Å; A352-S357 VanDerWaalsContact CB-C 3.46Å; A352-S357 WeakPolarHBondContact CB-O 3.32Å; A352-S357 WeakPolarHBondContact CB-OG 3.4Å; A352-A361 HydrophobicContact CB-CB 4.21Å; A352-T504 WeakPolarHBondContact CB-OG1 3.45Å; A352-G505 CarbonylContact O-C 3.56Å; A352-G505 WeakPolarHBondContact O-CA 3.4Å; A352-G505 PolarHBondContact O-N 3.05Å; A352-S506 PolarHBondContact O-N 3.26Å | ||
| 353 | H | 89.3 | Confident | 92.7 | Very high | 53 Ų | 53 | 37.6 Ų | 37.6 | 25% | 0.245 | 19% | 0.187 | C | C | . | . | trans | -148 | 17.3 | -173.7 | 61.3 | -87.7 | 0 | 0 | 0 | 112.4 | K73 G351 S357 | K73-H353 PolarHBondContact NZ-NE2 3.47Å; G351-H353 PolarHBondContact O-ND1 2.9Å; H353-S357 PolarHBondContact N-OG 3.29Å; H353-S357 VanDerWaalsContact N-OG 3.11Å | ||
| 354 | T | 88.8 | Confident | 92.7 | Very high | 34 Ų | 34 | 31.3 Ų | 31.3 | 21% | 0.209 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -129.4 | 159.7 | 163.6 | 75.9 | 0 | 0 | 0 | 0 | 108.7 | E356 S357 L358 F395 | T354-E356 VanDerWaalsContact C-N 3.29Å; T354-E356 VanDerWaalsContact CB-OE2 3.26Å; T354-E356 WeakPolarHBondContact CB-OE2 3.32Å; T354-E356 PolarHBondContact O-N 2.59Å; T354-E356 PolarHBondContact OG1-OE2 3.07Å; T354-S357 PolarHBondContact N-OG 2.74Å; T354-S357 PolarHBondContact O-N 3.44Å; T354-S357 PolarHBondContact O-OG 3.13Å; T354-S357 PolarHBondContact OG1-N 3.45Å; T354-S357 PolarHBondContact OG1-OG 3.05Å; T354-L358 WeakPolarHBondContact O-CB 3.43Å; T354-L358 PolarHBondContact O-N 3.06Å; T354-F395 VanDerWaalsContact C-CE1 3.47Å |
| 355 | V | 91.5 | Very high | 92.7 | Very high | 39 Ų | 39 | 30.2 Ų | 30.2 | 24% | 0.236 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.2 | -43 | -177.9 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | S357 L358 Q359 P394 F395 C398 | V355-S357 PolarHBondContact O-N 2.9Å; V355-L358 WeakPolarHBondContact O-CB 3.17Å; V355-L358 PolarHBondContact O-N 3.04Å; V355-Q359 PolarHBondContact O-N 2.8Å; V355-P394 HydrophobicContact CG2-CB 3.87Å; V355-F395 HydrophobicContact CG2-CD1 4.25Å; V355-F395 HydrophobicContact CG2-CD2 4.34Å; V355-F395 HydrophobicContact CG2-CE1 4.33Å; V355-F395 HydrophobicContact CG2-CE2 4.41Å; V355-F395 HydrophobicContact CG2-CG 4.26Å; V355-F395 HydrophobicContact CG2-CZ 4.41Å; V355-C398 HydrophobicContact CG1-CB 3.95Å |
| 356 | E | 88.1 | Confident | 92.6 | Very high | 124 Ų | 124 | 31.7 Ų | 31.7 | 58% | 0.579 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -66.6 | -41 | -179.4 | -50.7 | 72 | -154.8 | 0 | 0 | 111.2 | T354 L358 S360 | T354-E356 VanDerWaalsContact C-N 3.29Å; T354-E356 VanDerWaalsContact CB-OE2 3.26Å; T354-E356 WeakPolarHBondContact CB-OE2 3.32Å; T354-E356 PolarHBondContact O-N 2.59Å; T354-E356 PolarHBondContact OG1-OE2 3.07Å; E356-L358 VanDerWaalsContact C-N 3.32Å; E356-S360 WeakPolarHBondContact O-CB 3.5Å; E356-S360 PolarHBondContact O-N 3.34Å; E356-S360 PolarHBondContact O-OG 3.32Å |
| 357 | S | 89.3 | Confident | 92.2 | Very high | 25 Ų | 25 | 33.1 Ų | 33.1 | 18% | 0.175 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.4 | -35.8 | 176 | 62.4 | 0 | 0 | 0 | 0 | 111.8 | A352 H353 T354 V355 S360 A361 | A352-S357 WeakPolarHBondContact CA-OG 3.49Å; A352-S357 VanDerWaalsContact CB-C 3.46Å; A352-S357 WeakPolarHBondContact CB-O 3.32Å; A352-S357 WeakPolarHBondContact CB-OG 3.4Å; H353-S357 PolarHBondContact N-OG 3.29Å; H353-S357 VanDerWaalsContact N-OG 3.11Å; T354-S357 PolarHBondContact N-OG 2.74Å; T354-S357 PolarHBondContact O-N 3.44Å; T354-S357 PolarHBondContact O-OG 3.13Å; T354-S357 PolarHBondContact OG1-N 3.45Å; T354-S357 PolarHBondContact OG1-OG 3.05Å; V355-S357 PolarHBondContact O-N 2.9Å; S357-S360 PolarHBondContact O-N 3.35Å; S357-A361 WeakPolarHBondContact O-CB 3.45Å; S357-A361 PolarHBondContact O-N 3.16Å |
| 358 | L | 93.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.9 | -47.4 | 177.2 | 176.1 | 58.6 | 0 | 0 | 0 | 110.6 | T354 V355 E356 S360 A361 I362 F384 F395 C398 L399 T504 | T354-L358 WeakPolarHBondContact O-CB 3.43Å; T354-L358 PolarHBondContact O-N 3.06Å; V355-L358 WeakPolarHBondContact O-CB 3.17Å; V355-L358 PolarHBondContact O-N 3.04Å; E356-L358 VanDerWaalsContact C-N 3.32Å; L358-S360 PolarHBondContact O-N 2.88Å; L358-A361 PolarHBondContact O-N 3.31Å; L358-A361 VanDerWaalsContact O-N 3.14Å; L358-I362 HydrophobicContact CD1-CD1 4.08Å; L358-I362 HydrophobicContact CD1-CG1 4.25Å; L358-I362 HydrophobicContact CG-CD1 3.98Å; L358-I362 VanDerWaalsContact O-CG1 3.31Å; L358-I362 WeakPolarHBondContact O-CG1 3.21Å; L358-I362 PolarHBondContact O-N 2.8Å; L358-F384 HydrophobicContact CD1-CD2 4.37Å; L358-F384 HydrophobicContact CD1-CE2 4.04Å; L358-F384 HydrophobicContact CD2-CE2 3.83Å; L358-F384 HydrophobicContact CD2-CZ 4.14Å; L358-F395 HydrophobicContact CD2-CB 4.16Å; L358-F395 HydrophobicContact CD2-CD1 4.08Å; L358-C398 HydrophobicContact CD2-CB 4.45Å; L358-L399 HydrophobicContact CD1-CD2 4.07Å; L358-L399 HydrophobicContact CD2-CD2 4.06Å; L358-L399 HydrophobicContact CD2-CG 4.02Å; L358-L399 HydrophobicContact CG-CD2 4.33Å; L358-T504 HydrophobicContact CD1-CG2 3.47Å; L358-T504 VanDerWaalsContact CD1-CG2 3.47Å |
| 359 | Q | 92.3 | Very high | 91.4 | Very high | 119 Ų | 119 | 35.3 Ų | 35.3 | 56% | 0.556 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -56.6 | -41.6 | 174.5 | -171.6 | 178.5 | 6.4 | 0 | 0 | 111.6 | V355 I362 K363 | V355-Q359 PolarHBondContact O-N 2.8Å; Q359-I362 PolarHBondContact O-N 2.9Å; Q359-K363 WeakPolarHBondContact O-CB 3.34Å; Q359-K363 PolarHBondContact O-N 2.84Å |
| 360 | S | 89.8 | Confident | 91.1 | Very high | 50 Ų | 50 | 39 Ų | 39 | 35% | 0.35 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 177.7 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | W337 E356 S357 L358 K363 W364 | W337-S360 WeakPolarHBondContact CZ3-O 3.24Å; E356-S360 WeakPolarHBondContact O-CB 3.5Å; E356-S360 PolarHBondContact O-N 3.34Å; E356-S360 PolarHBondContact O-OG 3.32Å; S357-S360 PolarHBondContact O-N 3.35Å; L358-S360 PolarHBondContact O-N 2.88Å; S360-K363 PolarHBondContact O-N 3.23Å; S360-W364 PolarHBondContact O-N 3.14Å |
| 361 | A | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D350 A352 S357 L358 W364 F365 | D350-A361 HydrophobicContact CB-CB 4.15Å; A352-A361 HydrophobicContact CB-CB 4.21Å; S357-A361 WeakPolarHBondContact O-CB 3.45Å; S357-A361 PolarHBondContact O-N 3.16Å; L358-A361 PolarHBondContact O-N 3.31Å; L358-A361 VanDerWaalsContact O-N 3.14Å; A361-W364 PolarHBondContact O-N 2.85Å; A361-F365 WeakPolarHBondContact O-CB 3.46Å; A361-F365 PolarHBondContact O-N 3.49Å |
| 362 | I | 94.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 176.1 | -64.4 | 162.8 | 0 | 0 | 0 | 110.8 | L358 Q359 W364 F365 Q366 L399 F406 L502 | L358-I362 HydrophobicContact CD1-CD1 4.08Å; L358-I362 HydrophobicContact CD1-CG1 4.25Å; L358-I362 HydrophobicContact CG-CD1 3.98Å; L358-I362 VanDerWaalsContact O-CG1 3.31Å; L358-I362 WeakPolarHBondContact O-CG1 3.21Å; L358-I362 PolarHBondContact O-N 2.8Å; Q359-I362 PolarHBondContact O-N 2.9Å; I362-W364 VanDerWaalsContact C-N 3.31Å; I362-W364 PolarHBondContact O-N 3.16Å; I362-F365 WeakPolarHBondContact O-CB 3.03Å; I362-F365 PolarHBondContact O-N 3.49Å; I362-Q366 HydrophobicContact CG2-CG 4.29Å; I362-Q366 VanDerWaalsContact O-CG 3.32Å; I362-Q366 WeakPolarHBondContact O-CG 3.09Å; I362-Q366 PolarHBondContact O-N 3.44Å; I362-L399 HydrophobicContact CD1-CD2 3.7Å; I362-L399 HydrophobicContact CG1-CD2 4.46Å; I362-F406 HydrophobicContact CG1-CE2 4.45Å; I362-F406 HydrophobicContact CG1-CZ 4.34Å; I362-F406 HydrophobicContact CG2-CE2 4.2Å; I362-F406 HydrophobicContact CG2-CZ 4.22Å; I362-L502 HydrophobicContact CG1-CD2 4.19Å |
| 363 | K | 91.3 | Very high | 87.8 | Confident | 134 Ų | 134 | 49.6 Ų | 49.6 | 58% | 0.583 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.9 | -42.3 | 178.3 | -175.7 | 173.7 | -178.2 | 176.2 | 0 | 111.8 | Q359 S360 N367 | Q359-K363 WeakPolarHBondContact O-CB 3.34Å; Q359-K363 PolarHBondContact O-N 2.84Å; S360-K363 PolarHBondContact O-N 3.23Å; K363-N367 PolarHBondContact O-N 3.18Å; K363-N367 PolarHBondContact O-ND2 3.08Å; K363-N367 PolarHBondContact O-OD1 2.75Å |
| 364 | W | 90.6 | Very high | 86.2 | Confident | 12 Ų | 12 | 54.5 Ų | 54.5 | 5% | 0.045 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 174 | 162.5 | 75.3 | 0 | 0 | 0 | 112.9 | W337 I339 Y348 D350 S360 A361 I362 Q366 N367 K368 L502 | W337-W364 VanDerWaalsContact C-CH2 3.49Å; W337-W364 HydrophobicContact CB-CH2 4.49Å; W337-W364 HydrophobicContact CB-CZ2 4.06Å; W337-W364 HydrophobicContact CE3-CB 3.56Å; W337-W364 AromaticContact CE3-CD1 3.83Å; W337-W364 AromaticContact CE3-CD2 3.5Å; W337-W364 HydrophobicContact CE3-CD2 3.5Å; W337-W364 VanDerWaalsContact CE3-CD2 3.5Å; W337-W364 AromaticContact CE3-CE3 3.86Å; W337-W364 HydrophobicContact CE3-CE3 3.86Å; W337-W364 AromaticContact CE3-CG 3.37Å; W337-W364 HydrophobicContact CE3-CG 3.37Å; W337-W364 HydrophobicContact CZ3-CB 3.28Å; W337-W364 HydrophobicContact CZ3-CD2 4.07Å; W337-W364 HydrophobicContact CZ3-CE3 4.28Å; W337-W364 AromaticContact CZ3-CG 3.68Å; W337-W364 HydrophobicContact CZ3-CG 3.68Å; W337-W364 VanDerWaalsContact O-CZ2 3.3Å; W337-W364 WeakPolarHBondContact O-CZ2 3.09Å; I339-W364 HydrophobicContact CD1-CZ2 4.09Å; I339-W364 HydrophobicContact CG1-CH2 4.22Å; I339-W364 HydrophobicContact CG1-CZ2 3.6Å; Y348-W364 HydrophobicContact CD1-CH2 4.04Å; Y348-W364 HydrophobicContact CD1-CZ2 4.14Å; Y348-W364 HydrophobicContact CD1-CZ3 4.44Å; Y348-W364 HydrophobicContact CG-CH2 4.4Å; D350-W364 HydrophobicContact CB-CZ3 4.39Å; S360-W364 PolarHBondContact O-N 3.14Å; A361-W364 PolarHBondContact O-N 2.85Å; I362-W364 VanDerWaalsContact C-N 3.31Å; I362-W364 PolarHBondContact O-N 3.16Å; W364-Q366 VanDerWaalsContact C-N 3.34Å; W364-Q366 PolarHBondContact O-N 3.27Å; W364-N367 PolarHBondContact O-N 3.18Å; W364-K368 WeakPolarHBondContact O-CG 3.05Å; W364-K368 PolarHBondContact O-N 2.94Å; W364-L502 HydrophobicContact CZ3-CD1 4.32Å |
| 365 | F | 93.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.9 | -50.1 | 175.8 | 170.8 | -98 | 0 | 0 | 0 | 111 | Y348 A361 I362 N367 K368 S369 R380 F406 D500 L502 | Y348-F365 HydrophobicContact CD1-CD2 4.17Å; Y348-F365 AromaticContact CD2-CD2 3.53Å; Y348-F365 HydrophobicContact CD2-CD2 3.53Å; Y348-F365 AromaticContact CD2-CE2 3.47Å; Y348-F365 HydrophobicContact CD2-CE2 3.47Å; Y348-F365 VanDerWaalsContact CD2-CE2 3.47Å; Y348-F365 HydrophobicContact CE2-CD2 4.06Å; Y348-F365 AromaticContact CE2-CE2 3.78Å; Y348-F365 HydrophobicContact CE2-CE2 3.78Å; Y348-F365 AromaticContact CG-CD2 3.58Å; Y348-F365 HydrophobicContact CG-CD2 3.58Å; Y348-F365 HydrophobicContact CG-CE2 4.04Å; A361-F365 WeakPolarHBondContact O-CB 3.46Å; A361-F365 PolarHBondContact O-N 3.49Å; I362-F365 WeakPolarHBondContact O-CB 3.03Å; I362-F365 PolarHBondContact O-N 3.49Å; F365-N367 VanDerWaalsContact C-N 3.33Å; F365-N367 PolarHBondContact O-N 3.36Å; F365-K368 PolarHBondContact O-N 2.85Å; F365-S369 WeakPolarHBondContact O-CB 3.22Å; F365-S369 PolarHBondContact O-N 3.22Å; F365-R380 HydrophobicContact CE1-CB 4.28Å; F365-R380 HydrophobicContact CE1-CG 4.36Å; F365-R380 HydrophobicContact CZ-CB 4Å; F365-R380 HydrophobicContact CZ-CG 4Å; F365-F406 HydrophobicContact CD1-CD1 4.45Å; F365-F406 AromaticContact CD1-CE1 3.52Å; F365-F406 HydrophobicContact CD1-CE1 3.52Å; F365-F406 AromaticContact CD1-CZ 3.93Å; F365-F406 HydrophobicContact CD1-CZ 3.93Å; F365-F406 AromaticContact CE1-CD1 3.85Å; F365-F406 HydrophobicContact CE1-CD1 3.85Å; F365-F406 AromaticContact CE1-CE1 3.32Å; F365-F406 HydrophobicContact CE1-CE1 3.32Å; F365-F406 HydrophobicContact CE1-CZ 4.15Å; F365-F406 HydrophobicContact CG-CE1 4.32Å; F365-F406 HydrophobicContact CZ-CD1 4.36Å; F365-F406 AromaticContact CZ-CE1 3.99Å; F365-F406 HydrophobicContact CZ-CE1 3.99Å; F365-D500 HydrophobicContact CE2-CB 4.06Å; F365-D500 HydrophobicContact CZ-CB 4.12Å; F365-L502 HydrophobicContact CB-CD1 4.17Å; F365-L502 HydrophobicContact CB-CD2 3.96Å; F365-L502 HydrophobicContact CB-CG 4.45Å; F365-L502 HydrophobicContact CD2-CB 3.73Å; F365-L502 HydrophobicContact CD2-CD1 4.45Å; F365-L502 HydrophobicContact CD2-CG 4.47Å; F365-L502 HydrophobicContact CE2-CB 4Å; F365-L502 HydrophobicContact CG-CB 4.02Å; F365-L502 HydrophobicContact CG-CD2 4.13Å; F365-L502 HydrophobicContact CG-CG 4.45Å |
| 366 | Q | 91.7 | Very high | 84 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 15% | 0.154 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -53.5 | -52.7 | 175.9 | -73.7 | 169 | -18.4 | 0 | 0 | 110.3 | I362 W364 K368 F370 A405 | I362-Q366 HydrophobicContact CG2-CG 4.29Å; I362-Q366 VanDerWaalsContact O-CG 3.32Å; I362-Q366 WeakPolarHBondContact O-CG 3.09Å; I362-Q366 PolarHBondContact O-N 3.44Å; W364-Q366 VanDerWaalsContact C-N 3.34Å; W364-Q366 PolarHBondContact O-N 3.27Å; Q366-K368 VanDerWaalsContact C-N 3.28Å; Q366-K368 PolarHBondContact O-N 3.19Å; Q366-F370 HydrophobicContact CB-CD1 4.46Å; Q366-F370 HydrophobicContact CB-CE1 4.45Å; Q366-F370 HydrophobicContact CG-CE1 4.34Å; Q366-F370 HydrophobicContact CG-CZ 4.49Å; Q366-F370 WeakPolarHBondContact O-CB 3.23Å; Q366-F370 WeakPolarHBondContact O-CD1 3.48Å; Q366-F370 VanDerWaalsContact O-CG 3.23Å; Q366-F370 WeakPolarHBondContact O-CG 3.16Å; Q366-F370 PolarHBondContact O-N 3.18Å; Q366-A405 HydrophobicContact CG-CB 3.82Å |
| 367 | N | 87.6 | Confident | 83.9 | Confident | 57 Ų | 57 | 66.6 Ų | 66.6 | 31% | 0.305 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.7 | -35.2 | -177.1 | -66 | -21.6 | 0 | 0 | 0 | 113.3 | T275 K363 W364 F365 A371 | T275-N367 HydrophobicContact CG2-CB 3.28Å; K363-N367 PolarHBondContact O-N 3.18Å; K363-N367 PolarHBondContact O-ND2 3.08Å; K363-N367 PolarHBondContact O-OD1 2.75Å; W364-N367 PolarHBondContact O-N 3.18Å; F365-N367 VanDerWaalsContact C-N 3.33Å; F365-N367 PolarHBondContact O-N 3.36Å; N367-A371 WeakPolarHBondContact O-CB 3.45Å |
| 368 | K | 87.9 | Confident | 84 | Confident | 55 Ų | 55 | 65.7 Ų | 65.7 | 24% | 0.239 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -83.1 | -51 | -179.1 | -67.8 | -61.7 | -170.5 | -173.8 | 0 | 112.7 | T275 I339 Y348 W364 F365 Q366 F370 A371 S372 | T275-K368 VanDerWaalsContact OG1-CE 3.28Å; T275-K368 WeakPolarHBondContact OG1-CE 3.44Å; I339-K368 HydrophobicContact CD1-CB 4.49Å; I339-K368 HydrophobicContact CD1-CD 4.4Å; I339-K368 HydrophobicContact CD1-CG 4.17Å; Y348-K368 HydrophobicContact CD1-CB 4.28Å; Y348-K368 HydrophobicContact CE1-CB 3.54Å; Y348-K368 HydrophobicContact CE1-CG 4.47Å; W364-K368 WeakPolarHBondContact O-CG 3.05Å; W364-K368 PolarHBondContact O-N 2.94Å; F365-K368 PolarHBondContact O-N 2.85Å; Q366-K368 VanDerWaalsContact C-N 3.28Å; Q366-K368 PolarHBondContact O-N 3.19Å; K368-F370 VanDerWaalsContact C-N 3.29Å; K368-F370 PolarHBondContact O-N 2.86Å; K368-A371 PolarHBondContact O-N 3.43Å; K368-S372 PolarHBondContact O-N 3.39Å |
| 369 | S | 91.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.5 | -33.3 | -179.5 | 175.1 | 0 | 0 | 0 | 0 | 112.2 | Y348 F365 R380 D500 | Y348-S369 WeakPolarHBondContact OH-CA 3.48Å; F365-S369 WeakPolarHBondContact O-CB 3.22Å; F365-S369 PolarHBondContact O-N 3.22Å; S369-R380 PolarHBondContact OG-NE 3.43Å; S369-D500 WeakPolarHBondContact CA-OD2 3.39Å; S369-D500 WeakPolarHBondContact CB-OD2 3.24Å; S369-D500 PolarHBondContact OG-OD2 3.33Å |
| 370 | F | 88.9 | Confident | 84.1 | Confident | 77 Ų | 77 | 61.3 Ų | 61.3 | 34% | 0.338 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -82.4 | -27.8 | -175.9 | -69.7 | 37.9 | 0 | 0 | 0 | 111.8 | Q366 K368 S372 R380 | Q366-F370 HydrophobicContact CB-CD1 4.46Å; Q366-F370 HydrophobicContact CB-CE1 4.45Å; Q366-F370 HydrophobicContact CG-CE1 4.34Å; Q366-F370 HydrophobicContact CG-CZ 4.49Å; Q366-F370 WeakPolarHBondContact O-CB 3.23Å; Q366-F370 WeakPolarHBondContact O-CD1 3.48Å; Q366-F370 VanDerWaalsContact O-CG 3.23Å; Q366-F370 WeakPolarHBondContact O-CG 3.16Å; Q366-F370 PolarHBondContact O-N 3.18Å; K368-F370 VanDerWaalsContact C-N 3.29Å; K368-F370 PolarHBondContact O-N 2.86Å; F370-S372 VanDerWaalsContact C-N 3.32Å; F370-R380 VanDerWaalsContact CE1-NE 3.34Å |
| 371 | A | 82 | Confident | 84.4 | Confident | 83 Ų | 83 | 59 Ų | 59 | 69% | 0.686 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -71.7 | -25 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | N367 K368 N373 | N367-A371 WeakPolarHBondContact O-CB 3.45Å; K368-A371 PolarHBondContact O-N 3.43Å; A371-N373 PolarHBondContact O-N 2.93Å |
| 372 | S | 68.2 | Low | 84.6 | Confident | 86 Ų | 86 | 59 Ų | 59 | 60% | 0.601 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 4.2 | -176.4 | -166.1 | 0 | 0 | 0 | 0 | 114.6 | K368 F370 N374 | K368-S372 PolarHBondContact O-N 3.39Å; F370-S372 VanDerWaalsContact C-N 3.32Å; S372-N374 VanDerWaalsContact C-N 3.29Å; S372-N374 PolarHBondContact O-N 3.41Å |
| 373 | N | 61.8 | Low | 84.8 | Confident | 59 Ų | 59 | 59 Ų | 59 | 32% | 0.316 | 30% | 0.297 | S | S | . | . | trans | -80.1 | 66.1 | -171.9 | -77.4 | -6.8 | 0 | 0 | 0 | 113.3 | A371 N375 P378 R380 | A371-N373 PolarHBondContact O-N 2.93Å; N373-N375 PolarHBondContact O-N 3.37Å; N373-P378 WeakPolarHBondContact OD1-CD 3.24Å; N373-R380 PolarHBondContact ND2-NH2 3.15Å | ||
| 374 | N | 55.4 | Low | 85 | Confident | 156 Ų | 156 | 52.6 Ų | 52.6 | 83% | 0.834 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -75 | 78 | 163 | -77.7 | -19.8 | 0 | 0 | 0 | 109.7 | S372 R376 | S372-N374 VanDerWaalsContact C-N 3.29Å; S372-N374 PolarHBondContact O-N 3.41Å; N374-R376 PolarHBondContact O-N 2.75Å |
| 375 | N | 58.1 | Low | 85.3 | Confident | 164 Ų | 164 | 52 Ų | 52 | 88% | 0.877 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 79.7 | -6.7 | 168.9 | -62 | -20 | 0 | 0 | 0 | 120.1 | N373 | N373-N375 PolarHBondContact O-N 3.37Š|
| 376 | R | 75.4 | Confident | 85.3 | Confident | 153 Ų | 153 | 52.2 Ų | 52.2 | 58% | 0.577 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -140.9 | 127.4 | 168.3 | -72 | -172.6 | 177.6 | 169 | -3.1 | 112.1 | N374 | N374-R376 PolarHBondContact O-N 2.75Š|
| 377 | R | 86.8 | Confident | 85.3 | Confident | 133 Ų | 133 | 50.9 Ų | 50.9 | 50% | 0.502 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 127.3 | 176.8 | 174.9 | -175 | 169.8 | -164.2 | -1.2 | 109.7 | D407 T496 | R377-D407 IonicContact CZ-OD1 3.3Å; R377-D407 IonicContact CZ-OD2 2.64Å; R377-D407 IonicContact NE-OD2 3.4Å; R377-D407 IonicContact NH1-OD1 3.16Å; R377-D407 IonicContact NH2-OD1 2.58Å; R377-D407 PolarHBondContact NH2-OD1 2.93Å; R377-D407 IonicContact NH2-OD2 3.98Å; R377-D407 PolarHBondContact NH2-OD2 3.11Å; R377-T496 WeakPolarHBondContact O-CB 3.07Å; R377-T496 PolarHBondContact O-OG1 3.03Å |
| 378 | P | 91 | Very high | 85.3 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 5% | 0.045 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 153.9 | 170.3 | 30.7 | -33.9 | 0 | 0 | 0 | 110.6 | N373 R380 F498 D500 | N373-P378 WeakPolarHBondContact OD1-CD 3.24Å; P378-R380 HydrophobicContact CG-CG 4.49Å; P378-F498 VanDerWaalsContact CA-O 3.29Å; P378-F498 WeakPolarHBondContact CA-O 3.44Å; P378-F498 HydrophobicContact CB-CB 3.96Å; P378-F498 WeakPolarHBondContact CB-O 3.23Å; P378-D500 HydrophobicContact CB-CB 4.33Å; P378-D500 HydrophobicContact CG-CB 4.31Å |
| 379 | I | 92.5 | Very high | 85.1 | Confident | 19 Ų | 19 | 51.7 Ų | 51.7 | 10% | 0.097 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 127.3 | 165.7 | -76.9 | -75.8 | 0 | 0 | 0 | 107.7 | I381 D407 F475 L480 T496 F498 C499 D500 | I379-I381 HydrophobicContact CG2-CD1 4.47Å; I379-I381 HydrophobicContact CG2-CG1 4.05Å; I379-D407 HydrophobicContact CD1-CB 4.2Å; I379-D407 HydrophobicContact CG2-CB 4.32Å; I379-F475 HydrophobicContact CB-CB 4.15Å; I379-F475 HydrophobicContact CG1-CB 4.01Å; I379-L480 HydrophobicContact CG2-CD1 3.58Å; I379-T496 HydrophobicContact CB-CG2 4.12Å; I379-T496 HydrophobicContact CG1-CG2 3.57Å; I379-F498 PolarHBondContact N-O 2.96Å; I379-C499 WeakPolarHBondContact O-CA 3.44Å; I379-C499 PolarHBondContact O-SG 3.35Å; I379-D500 PolarHBondContact O-N 3.26Å |
| 380 | R | 95 | Very high | 84.9 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 3% | 0.034 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117.6 | -175.3 | -65.1 | -177.8 | -175.4 | 120.9 | -2.1 | 111.1 | F365 S369 F370 N373 P378 A405 F406 D407 L408 D500 | F365-R380 HydrophobicContact CE1-CB 4.28Å; F365-R380 HydrophobicContact CE1-CG 4.36Å; F365-R380 HydrophobicContact CZ-CB 4Å; F365-R380 HydrophobicContact CZ-CG 4Å; S369-R380 PolarHBondContact OG-NE 3.43Å; F370-R380 VanDerWaalsContact CE1-NE 3.34Å; N373-R380 PolarHBondContact ND2-NH2 3.15Å; P378-R380 HydrophobicContact CG-CG 4.49Å; R380-A405 WeakPolarHBondContact CB-O 3.28Å; R380-A405 WeakPolarHBondContact CD-O 3.02Å; R380-F406 HydrophobicContact CB-CD1 4.47Å; R380-D407 PolarHBondContact N-OD2 2.75Å; R380-D407 PolarHBondContact O-N 3.06Å; R380-L408 PolarHBondContact O-N 2.89Å; R380-D500 CarbonylContact C-O 3.59Å; R380-D500 WeakPolarHBondContact CA-O 3.22Å; R380-D500 HydrophobicContact CG-CB 4.27Å |
| 381 | I | 96.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 140.9 | -179.5 | -53.5 | 179.1 | 0 | 0 | 0 | 108.5 | I379 I383 L408 V410 I469 L480 C499 D500 V501 L502 | I379-I381 HydrophobicContact CG2-CD1 4.47Å; I379-I381 HydrophobicContact CG2-CG1 4.05Å; I381-I383 HydrophobicContact CG2-CG1 4.29Å; I381-L408 WeakPolarHBondContact CA-O 3.23Å; I381-L408 HydrophobicContact CD1-CD2 4.39Å; I381-L408 HydrophobicContact CG1-CB 4.34Å; I381-L408 HydrophobicContact CG1-CD2 4.5Å; I381-L408 HydrophobicContact CG2-CB 4.49Å; I381-L408 HydrophobicContact CG2-CD2 4.37Å; I381-L408 HydrophobicContact CG2-CG 4.48Å; I381-V410 HydrophobicContact CG2-CG2 3.74Å; I381-I469 HydrophobicContact CD1-CD1 3.4Å; I381-L480 HydrophobicContact CD1-CD1 3.65Å; I381-L480 HydrophobicContact CD1-CD2 4.23Å; I381-L480 HydrophobicContact CG1-CD1 4.15Å; I381-C499 VanDerWaalsContact CD1-SG 3.6Å; I381-D500 PolarHBondContact N-O 3.16Å; I381-V501 HydrophobicContact CB-CG1 4.5Å; I381-V501 HydrophobicContact CB-CG2 4.34Å; I381-V501 CarbonylContact O-C 3.59Å; I381-V501 WeakPolarHBondContact O-CA 3.39Å; I381-L502 PolarHBondContact O-N 3.2Å |
| 382 | I | 97.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 128.7 | 161.9 | -172.6 | 177.3 | 0 | 0 | 0 | 110.1 | F384 L399 F406 L408 V409 V410 L502 T504 | I382-F384 HydrophobicContact CG1-CB 4.41Å; I382-L399 HydrophobicContact CD1-CD1 4.5Å; I382-L399 HydrophobicContact CD1-CD2 3.38Å; I382-F406 HydrophobicContact CB-CD1 3.73Å; I382-F406 HydrophobicContact CB-CD2 4.38Å; I382-F406 HydrophobicContact CB-CE1 3.72Å; I382-F406 HydrophobicContact CB-CE2 4.37Å; I382-F406 HydrophobicContact CB-CG 4.08Å; I382-F406 HydrophobicContact CB-CZ 4.07Å; I382-F406 HydrophobicContact CD1-CE1 4.45Å; I382-F406 HydrophobicContact CD1-CE2 4.13Å; I382-F406 HydrophobicContact CD1-CZ 3.97Å; I382-F406 HydrophobicContact CG1-CE1 4.41Å; I382-F406 HydrophobicContact CG1-CZ 4.41Å; I382-F406 HydrophobicContact CG2-CB 4.36Å; I382-F406 HydrophobicContact CG2-CD1 4.06Å; I382-F406 HydrophobicContact CG2-CD2 4.05Å; I382-F406 HydrophobicContact CG2-CE1 4.4Å; I382-F406 HydrophobicContact CG2-CE2 4.39Å; I382-F406 HydrophobicContact CG2-CG 3.88Å; I382-L408 PolarHBondContact N-O 3.13Å; I382-V409 HydrophobicContact CG2-CB 4.07Å; I382-V409 HydrophobicContact CG2-CG1 3.97Å; I382-V409 HydrophobicContact CG2-CG2 3.76Å; I382-V410 PolarHBondContact O-N 3.06Å; I382-L502 CarbonylContact C-O 3.57Å; I382-L502 WeakPolarHBondContact CA-O 3.47Å; I382-L502 HydrophobicContact CB-CB 4.44Å; I382-L502 HydrophobicContact CD1-CD2 3.93Å; I382-L502 HydrophobicContact CD1-CG 4.45Å; I382-L502 HydrophobicContact CG1-CB 4.2Å; I382-L502 HydrophobicContact CG1-CD2 4.16Å; I382-L502 HydrophobicContact CG1-CG 4.18Å; I382-T504 HydrophobicContact CD1-CG2 4.05Å; I382-T504 HydrophobicContact CG1-CG2 4.41Å |
| 383 | I | 97.7 | Very high | 87.1 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 119.9 | 170.6 | -54.1 | -179.9 | 0 | 0 | 0 | 107.8 | I381 V410 A412 L462 F465 V501 L502 V503 T504 M509 I513 | I381-I383 HydrophobicContact CG2-CG1 4.29Å; I383-V410 WeakPolarHBondContact CA-O 3.19Å; I383-V410 HydrophobicContact CG1-CB 4.24Å; I383-A412 HydrophobicContact CG2-CB 4.43Å; I383-L462 HydrophobicContact CD1-CD1 4.2Å; I383-L462 HydrophobicContact CG2-CD1 3.87Å; I383-F465 HydrophobicContact CD1-CD1 4.33Å; I383-F465 HydrophobicContact CD1-CE1 4.11Å; I383-V501 HydrophobicContact CD1-CG1 3.69Å; I383-V501 HydrophobicContact CG1-CG1 3.87Å; I383-L502 PolarHBondContact N-O 3.38Å; I383-V503 HydrophobicContact CD1-CG2 4.48Å; I383-T504 PolarHBondContact O-N 2.58Å; I383-T504 VanDerWaalsContact O-N 3.07Å; I383-M509 HydrophobicContact CG2-CE 4.18Å; I383-M509 HydrophobicContact CG2-CG 4.48Å; I383-M509 HydrophobicContact CG2-SD 3.62Å; I383-I513 HydrophobicContact CD1-CD1 4.19Å |
| 384 | F | 96.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 147 | -168.6 | -176.1 | -97.8 | 0 | 0 | 0 | 112.9 | L358 I382 V386 F395 L396 L399 V410 F411 T504 G505 | L358-F384 HydrophobicContact CD1-CD2 4.37Å; L358-F384 HydrophobicContact CD1-CE2 4.04Å; L358-F384 HydrophobicContact CD2-CE2 3.83Å; L358-F384 HydrophobicContact CD2-CZ 4.14Å; I382-F384 HydrophobicContact CG1-CB 4.41Å; F384-V386 HydrophobicContact CE1-CG2 3.74Å; F384-V386 HydrophobicContact CZ-CG2 3.79Å; F384-F395 HydrophobicContact CE1-CB 4.33Å; F384-F395 HydrophobicContact CZ-CB 3.8Å; F384-F395 HydrophobicContact CZ-CD1 4.24Å; F384-F395 HydrophobicContact CZ-CG 4.31Å; F384-L396 HydrophobicContact CD1-CD2 4.34Å; F384-L396 HydrophobicContact CE1-CD2 4.08Å; F384-L399 HydrophobicContact CB-CD1 4.34Å; F384-L399 HydrophobicContact CD1-CD1 3.71Å; F384-L399 HydrophobicContact CD2-CD1 4.12Å; F384-L399 HydrophobicContact CE1-CD1 4Å; F384-L399 HydrophobicContact CE2-CD1 4.39Å; F384-L399 HydrophobicContact CG-CD1 3.77Å; F384-L399 HydrophobicContact CZ-CD1 4.34Å; F384-V410 PolarHBondContact N-O 3.08Å; F384-F411 HydrophobicContact CD1-CD1 4.24Å; F384-F411 AromaticContact CD1-CE1 3.91Å; F384-F411 HydrophobicContact CD1-CE1 3.91Å; F384-F411 WeakPolarHBondContact O-CA 3.42Å; F384-T504 HydrophobicContact CD2-CG2 3.85Å; F384-T504 HydrophobicContact CE2-CG2 4.44Å; F384-G505 VanDerWaalsContact CE2-CA 3.48Å |
| 385 | T | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -153.4 | 161.3 | 164.9 | -170.1 | 0 | 0 | 0 | 0 | 110.2 | I387 A412 P414 S427 G505 M509 | T385-I387 HydrophobicContact CG2-CD1 3.75Å; T385-I387 HydrophobicContact CG2-CG1 4.08Å; T385-A412 WeakPolarHBondContact CB-O 3.37Å; T385-P414 HydrophobicContact CG2-CG 4.41Å; T385-S427 PolarHBondContact OG1-OG 3.49Å; T385-G505 CarbonylContact O-C 3.56Å; T385-G505 VanDerWaalsContact O-CA 3.31Å; T385-G505 WeakPolarHBondContact O-CA 3.48Å; T385-M509 HydrophobicContact CG2-CE 3.42Å; T385-M509 VanDerWaalsContact CG2-CE 3.42Å | ||
| 386 | V | 95.2 | Very high | 92.5 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | trans | -105.5 | 133.8 | 164.5 | 177.7 | 0 | 0 | 0 | 0 | 108.5 | F384 R390 P392 F395 L428 | F384-V386 HydrophobicContact CE1-CG2 3.74Å; F384-V386 HydrophobicContact CZ-CG2 3.79Å; V386-R390 HydrophobicContact CG1-CB 3.79Å; V386-P392 HydrophobicContact CB-CB 4.46Å; V386-P392 HydrophobicContact CB-CG 4.49Å; V386-P392 HydrophobicContact CG2-CB 4.12Å; V386-F395 HydrophobicContact CG2-CB 4.29Å; V386-F395 HydrophobicContact CG2-CD2 4.15Å; V386-F395 HydrophobicContact CG2-CG 4.15Å; V386-L428 HydrophobicContact CB-CB 4.43Å; V386-L428 HydrophobicContact CB-CD1 4.43Å; V386-L428 HydrophobicContact CG1-CD1 4.09Å; V386-L428 WeakPolarHBondContact O-CB 3.39Å; V386-L428 PolarHBondContact O-N 3.43Å | ||
| 387 | I | 91.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -107.7 | 139.4 | 178.6 | -63.1 | -55.4 | 0 | 0 | 0 | 111 | T385 R390 P414 K425 E426 S506 | T385-I387 HydrophobicContact CG2-CD1 3.75Å; T385-I387 HydrophobicContact CG2-CG1 4.08Å; I387-R390 PolarHBondContact O-NH1 3.1Å; I387-P414 HydrophobicContact CD1-CG 3.95Å; I387-K425 VanDerWaalsContact CG2-C 3.47Å; I387-K425 VanDerWaalsContact CG2-CA 3.45Å; I387-K425 WeakPolarHBondContact CG2-O 3.43Å; I387-E426 CarbonylContact C-O 3.5Å; I387-E426 VanDerWaalsContact CA-O 3.3Å; I387-E426 WeakPolarHBondContact CA-O 3.48Å; I387-S506 WeakPolarHBondContact CG1-OG 3.46Å |
| 388 | G | 87.2 | Confident | 93.7 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 76.8 | -163.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | R390 S424 E426 L428 | G388-R390 PolarHBondContact O-N 2.76Å; G388-S424 WeakPolarHBondContact CA-O 3.49Å; G388-E426 PolarHBondContact N-O 3.39Å; G388-L428 WeakPolarHBondContact O-CD1 3.26Å |
| 389 | P | 83.5 | Confident | 93.9 | Very high | 126 Ų | 126 | 31.5 Ų | 31.5 | 82% | 0.818 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -81.2 | 40.1 | -167.7 | 35 | -38.9 | 0 | 0 | 0 | 113.7 | ||
| 390 | R | 87 | Confident | 93.8 | Very high | 105 Ų | 105 | 32.3 Ų | 32.3 | 40% | 0.396 | 17% | 0.165 | S | C | . | . | trans | -96.9 | 145.8 | -179.2 | -62.3 | -179.1 | -177.9 | 106 | -6.5 | 110.3 | V386 I387 G388 P392 L428 | V386-R390 HydrophobicContact CG1-CB 3.79Å; I387-R390 PolarHBondContact O-NH1 3.1Å; G388-R390 PolarHBondContact O-N 2.76Å; R390-P392 VanDerWaalsContact O-CD 3.23Å; R390-P392 WeakPolarHBondContact O-CD 3.5Å; R390-L428 WeakPolarHBondContact O-CD1 3.37Å | ||
| 391 | D | 92.6 | Very high | 93.6 | Very high | 98 Ų | 98 | 36.4 Ų | 36.4 | 52% | 0.524 | 20% | 0.195 | S | C | . | . | trans | -68 | 119.5 | 169.6 | 179.8 | 6.7 | 0 | 0 | 0 | 109.9 | K393 P394 F395 | D391-K393 VanDerWaalsContact C-N 3.34Å; D391-K393 WeakPolarHBondContact OD1-CB 3.44Å; D391-K393 PolarHBondContact OD1-N 3.46Å; D391-P394 WeakPolarHBondContact O-CD 3.26Å; D391-P394 WeakPolarHBondContact OD2-CD 3.48Å; D391-F395 WeakPolarHBondContact O-CD2 3.43Å | ||
| 392 | P | 95.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.032 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -71.1 | -26.1 | 177.2 | -19.5 | 34.1 | 0 | 0 | 0 | 113.9 | V386 R390 F395 L396 L428 L431 I435 | V386-P392 HydrophobicContact CB-CB 4.46Å; V386-P392 HydrophobicContact CB-CG 4.49Å; V386-P392 HydrophobicContact CG2-CB 4.12Å; R390-P392 VanDerWaalsContact O-CD 3.23Å; R390-P392 WeakPolarHBondContact O-CD 3.5Å; P392-F395 WeakPolarHBondContact O-CB 3.36Å; P392-F395 PolarHBondContact O-N 3.17Å; P392-L396 HydrophobicContact CB-CD1 4.15Å; P392-L396 HydrophobicContact CB-CG 4.49Å; P392-L396 WeakPolarHBondContact O-CG 3.43Å; P392-L396 PolarHBondContact O-N 2.84Å; P392-L428 HydrophobicContact CG-CB 4.42Å; P392-L428 HydrophobicContact CG-CD1 3.81Å; P392-L431 HydrophobicContact CG-CD2 4.07Å; P392-L431 HydrophobicContact CG-CG 4.34Å; P392-I435 HydrophobicContact CB-CD1 4.09Å; P392-I435 HydrophobicContact CG-CD1 4.13Å |
| 393 | K | 96.1 | Very high | 92.7 | Very high | 85 Ų | 85 | 38 Ų | 38 | 37% | 0.37 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -57.8 | -42.8 | -168.1 | -170.1 | 170.9 | -173.5 | 165.9 | 0 | 113.7 | D391 F395 L396 K397 I435 | D391-K393 VanDerWaalsContact C-N 3.34Å; D391-K393 WeakPolarHBondContact OD1-CB 3.44Å; D391-K393 PolarHBondContact OD1-N 3.46Å; K393-F395 VanDerWaalsContact C-N 3.34Å; K393-F395 PolarHBondContact O-N 3.17Å; K393-L396 PolarHBondContact O-N 2.87Å; K393-K397 WeakPolarHBondContact O-CG 3.31Å; K393-K397 PolarHBondContact O-N 3.4Å; K393-I435 HydrophobicContact CB-CG2 4.43Å; K393-I435 HydrophobicContact CG-CG2 4.38Å |
| 394 | P | 95.7 | Very high | 92.2 | Very high | 59 Ų | 59 | 43.6 Ų | 43.6 | 38% | 0.383 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.6 | -38 | 175.3 | -25 | 35.8 | 0 | 0 | 0 | 113.7 | V355 D391 C398 | V355-P394 HydrophobicContact CG2-CB 3.87Å; D391-P394 WeakPolarHBondContact O-CD 3.26Å; D391-P394 WeakPolarHBondContact OD2-CD 3.48Å; P394-C398 PolarHBondContact O-N 3.5Å; P394-C398 VanDerWaalsContact O-N 3.16Å |
| 395 | F | 96.2 | Very high | 91.9 | Very high | 18 Ų | 18 | 43.6 Ų | 43.6 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67 | -44.5 | 177.4 | -64.5 | -97 | 0 | 0 | 0 | 111.2 | T354 V355 L358 F384 V386 D391 P392 K393 K397 C398 L399 | T354-F395 VanDerWaalsContact C-CE1 3.47Å; V355-F395 HydrophobicContact CG2-CD1 4.25Å; V355-F395 HydrophobicContact CG2-CD2 4.34Å; V355-F395 HydrophobicContact CG2-CE1 4.33Å; V355-F395 HydrophobicContact CG2-CE2 4.41Å; V355-F395 HydrophobicContact CG2-CG 4.26Å; V355-F395 HydrophobicContact CG2-CZ 4.41Å; L358-F395 HydrophobicContact CD2-CB 4.16Å; L358-F395 HydrophobicContact CD2-CD1 4.08Å; F384-F395 HydrophobicContact CE1-CB 4.33Å; F384-F395 HydrophobicContact CZ-CB 3.8Å; F384-F395 HydrophobicContact CZ-CD1 4.24Å; F384-F395 HydrophobicContact CZ-CG 4.31Å; V386-F395 HydrophobicContact CG2-CB 4.29Å; V386-F395 HydrophobicContact CG2-CD2 4.15Å; V386-F395 HydrophobicContact CG2-CG 4.15Å; D391-F395 WeakPolarHBondContact O-CD2 3.43Å; P392-F395 WeakPolarHBondContact O-CB 3.36Å; P392-F395 PolarHBondContact O-N 3.17Å; K393-F395 VanDerWaalsContact C-N 3.34Å; K393-F395 PolarHBondContact O-N 3.17Å; F395-K397 PolarHBondContact O-N 3.18Å; F395-C398 VanDerWaalsContact O-CB 3.32Å; F395-C398 WeakPolarHBondContact O-CB 3.44Å; F395-C398 PolarHBondContact O-N 3.21Å; F395-L399 PolarHBondContact O-N 2.78Å |
| 396 | L | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.7 | -36.9 | -180 | -61.3 | 175.6 | 0 | 0 | 0 | 112 | F384 P392 K393 C398 L399 Q400 F411 C432 I435 W436 L439 | F384-L396 HydrophobicContact CD1-CD2 4.34Å; F384-L396 HydrophobicContact CE1-CD2 4.08Å; P392-L396 HydrophobicContact CB-CD1 4.15Å; P392-L396 HydrophobicContact CB-CG 4.49Å; P392-L396 WeakPolarHBondContact O-CG 3.43Å; P392-L396 PolarHBondContact O-N 2.84Å; K393-L396 PolarHBondContact O-N 2.87Å; L396-C398 VanDerWaalsContact C-N 3.33Å; L396-C398 PolarHBondContact O-N 3.39Å; L396-L399 HydrophobicContact CD2-CD1 4.24Å; L396-L399 WeakPolarHBondContact O-CB 3.44Å; L396-L399 PolarHBondContact O-N 2.82Å; L396-Q400 WeakPolarHBondContact O-CB 3.44Å; L396-Q400 PolarHBondContact O-N 2.98Å; L396-F411 HydrophobicContact CD2-CE1 3.56Å; L396-F411 HydrophobicContact CD2-CZ 3.87Å; L396-C432 HydrophobicContact CD1-CB 4.47Å; L396-C432 WeakPolarHBondContact CD1-O 2.86Å; L396-C432 HydrophobicContact CD2-CB 4.32Å; L396-I435 HydrophobicContact CD1-CB 3.56Å; L396-I435 HydrophobicContact CD1-CG2 3.47Å; L396-I435 VanDerWaalsContact CD1-CG2 3.47Å; L396-W436 HydrophobicContact CB-CE3 4.26Å; L396-W436 HydrophobicContact CD2-CE3 4.15Å; L396-L439 HydrophobicContact CB-CD1 3.7Å |
| 397 | K | 95 | Very high | 91.7 | Very high | 106 Ų | 106 | 45.1 Ų | 45.1 | 46% | 0.461 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.9 | -37.7 | 171.3 | -76 | -172.9 | 172.4 | -169 | 0 | 112.9 | K393 F395 Q400 S401 L439 | K393-K397 WeakPolarHBondContact O-CG 3.31Å; K393-K397 PolarHBondContact O-N 3.4Å; F395-K397 PolarHBondContact O-N 3.18Å; K397-Q400 PolarHBondContact O-N 3.16Å; K397-S401 WeakPolarHBondContact O-CB 3.42Å; K397-S401 PolarHBondContact O-N 3.33Å; K397-S401 PolarHBondContact O-OG 2.81Å; K397-L439 HydrophobicContact CG-CD1 4.3Å; K397-L439 HydrophobicContact CG-CD2 4.31Å |
| 398 | C | 94.2 | Very high | 91.9 | Very high | 15 Ų | 15 | 45 Ų | 45 | 10% | 0.101 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 173.5 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | V355 L358 P394 F395 L396 S401 S402 | V355-C398 HydrophobicContact CG1-CB 3.95Å; L358-C398 HydrophobicContact CD2-CB 4.45Å; P394-C398 PolarHBondContact O-N 3.5Å; P394-C398 VanDerWaalsContact O-N 3.16Å; F395-C398 VanDerWaalsContact O-CB 3.32Å; F395-C398 WeakPolarHBondContact O-CB 3.44Å; F395-C398 PolarHBondContact O-N 3.21Å; L396-C398 VanDerWaalsContact C-N 3.33Å; L396-C398 PolarHBondContact O-N 3.39Å; C398-S401 PolarHBondContact O-N 2.92Å; C398-S402 PolarHBondContact O-N 3.4Å; C398-S402 PolarHBondContact O-OG 3.07Å |
| 399 | L | 94 | Very high | 92.3 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | 173.6 | -71.3 | -179.7 | 0 | 0 | 0 | 112.2 | L358 I362 I382 F384 F395 L396 S401 S402 S403 W436 | L358-L399 HydrophobicContact CD1-CD2 4.07Å; L358-L399 HydrophobicContact CD2-CD2 4.06Å; L358-L399 HydrophobicContact CD2-CG 4.02Å; L358-L399 HydrophobicContact CG-CD2 4.33Å; I362-L399 HydrophobicContact CD1-CD2 3.7Å; I362-L399 HydrophobicContact CG1-CD2 4.46Å; I382-L399 HydrophobicContact CD1-CD1 4.5Å; I382-L399 HydrophobicContact CD1-CD2 3.38Å; F384-L399 HydrophobicContact CB-CD1 4.34Å; F384-L399 HydrophobicContact CD1-CD1 3.71Å; F384-L399 HydrophobicContact CD2-CD1 4.12Å; F384-L399 HydrophobicContact CE1-CD1 4Å; F384-L399 HydrophobicContact CE2-CD1 4.39Å; F384-L399 HydrophobicContact CG-CD1 3.77Å; F384-L399 HydrophobicContact CZ-CD1 4.34Å; F395-L399 PolarHBondContact O-N 2.78Å; L396-L399 HydrophobicContact CD2-CD1 4.24Å; L396-L399 WeakPolarHBondContact O-CB 3.44Å; L396-L399 PolarHBondContact O-N 2.82Å; L399-S401 VanDerWaalsContact C-N 3.28Å; L399-S401 PolarHBondContact O-N 3.44Å; L399-S402 CarbonylContact O-C 3.34Å; L399-S402 WeakPolarHBondContact O-CA 3.38Å; L399-S402 PolarHBondContact O-N 3.01Å; L399-S403 PolarHBondContact O-N 2.79Å; L399-W436 HydrophobicContact CB-CH2 4.16Å; L399-W436 HydrophobicContact CB-CZ3 3.63Å |
| 400 | Q | 91.6 | Very high | 92.9 | Very high | 36 Ų | 36 | 39 Ų | 39 | 17% | 0.168 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61 | -38.4 | -179.9 | -170.2 | 179.1 | 43.4 | 0 | 0 | 111.6 | L396 K397 S402 S403 W436 L439 E440 | L396-Q400 WeakPolarHBondContact O-CB 3.44Å; L396-Q400 PolarHBondContact O-N 2.98Å; K397-Q400 PolarHBondContact O-N 3.16Å; Q400-S402 PolarHBondContact O-N 2.77Å; Q400-S403 WeakPolarHBondContact O-CB 3.27Å; Q400-S403 PolarHBondContact O-N 2.73Å; Q400-S403 VanDerWaalsContact O-N 3.15Å; Q400-S403 PolarHBondContact O-OG 2.89Å; Q400-S403 VanDerWaalsContact O-OG 3.13Å; Q400-W436 HydrophobicContact CB-CH2 4.16Å; Q400-W436 HydrophobicContact CB-CZ3 4.03Å; Q400-L439 PolarHBondContact NE2-O 3.38Å; Q400-L439 VanDerWaalsContact NE2-O 3.1Å; Q400-E440 PolarHBondContact NE2-OE1 2.98Å |
| 401 | S | 90.5 | Very high | 93.4 | Very high | 96 Ų | 96 | 34 Ų | 34 | 67% | 0.671 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -65.9 | -19.8 | 176 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | K397 C398 L399 | K397-S401 WeakPolarHBondContact O-CB 3.42Å; K397-S401 PolarHBondContact O-N 3.33Å; K397-S401 PolarHBondContact O-OG 2.81Å; C398-S401 PolarHBondContact O-N 2.92Å; L399-S401 VanDerWaalsContact C-N 3.28Å; L399-S401 PolarHBondContact O-N 3.44Å |
| 402 | S | 89.8 | Confident | 93.6 | Very high | 18 Ų | 18 | 29.3 Ų | 29.3 | 13% | 0.126 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 22.7 | 178.2 | -49.6 | 0 | 0 | 0 | 0 | 111.8 | C398 L399 Q400 F404 A405 | C398-S402 PolarHBondContact O-N 3.4Å; C398-S402 PolarHBondContact O-OG 3.07Å; L399-S402 CarbonylContact O-C 3.34Å; L399-S402 WeakPolarHBondContact O-CA 3.38Å; L399-S402 PolarHBondContact O-N 3.01Å; Q400-S402 PolarHBondContact O-N 2.77Å; S402-F404 VanDerWaalsContact C-N 3.3Å; S402-F404 PolarHBondContact O-N 2.98Å; S402-A405 VanDerWaalsContact O-CB 3.23Å; S402-A405 WeakPolarHBondContact O-CB 3.34Å; S402-A405 PolarHBondContact O-N 2.98Å |
| 403 | S | 85.7 | Confident | 93.4 | Very high | 14 Ų | 14 | 31 Ų | 31 | 10% | 0.098 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -60.5 | -38.2 | -167.2 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | L399 Q400 A405 F406 I454 | L399-S403 PolarHBondContact O-N 2.79Å; Q400-S403 WeakPolarHBondContact O-CB 3.27Å; Q400-S403 PolarHBondContact O-N 2.73Å; Q400-S403 VanDerWaalsContact O-N 3.15Å; Q400-S403 PolarHBondContact O-OG 2.89Å; Q400-S403 VanDerWaalsContact O-OG 3.13Å; S403-A405 PolarHBondContact O-N 3.45Å; S403-F406 PolarHBondContact O-N 2.92Å; S403-I454 WeakPolarHBondContact O-CD1 3.41Å |
| 404 | F | 86.9 | Confident | 93.3 | Very high | 120 Ų | 120 | 27 Ų | 27 | 53% | 0.526 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -54.8 | -14.8 | 176.4 | 70.7 | -88.9 | 0 | 0 | 0 | 114.6 | S402 F406 | S402-F404 VanDerWaalsContact C-N 3.3Å; S402-F404 PolarHBondContact O-N 2.98Å; F404-F406 VanDerWaalsContact C-N 3.34Å |
| 405 | A | 89.9 | Confident | 93 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -76.5 | -19.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q366 R380 S402 S403 | Q366-A405 HydrophobicContact CG-CB 3.82Å; R380-A405 WeakPolarHBondContact CB-O 3.28Å; R380-A405 WeakPolarHBondContact CD-O 3.02Å; S402-A405 VanDerWaalsContact O-CB 3.23Å; S402-A405 WeakPolarHBondContact O-CB 3.34Å; S402-A405 PolarHBondContact O-N 2.98Å; S403-A405 PolarHBondContact O-N 3.45Å |
| 406 | F | 94.4 | Very high | 92.3 | Very high | 10 Ų | 10 | 26.1 Ų | 26.1 | 4% | 0.044 | 14% | 0.138 | C | C | . | . | trans | -130.5 | 147.5 | -168.4 | -52.7 | -72.1 | 0 | 0 | 0 | 112 | I362 F365 R380 I382 S403 F404 L502 | I362-F406 HydrophobicContact CG1-CE2 4.45Å; I362-F406 HydrophobicContact CG1-CZ 4.34Å; I362-F406 HydrophobicContact CG2-CE2 4.2Å; I362-F406 HydrophobicContact CG2-CZ 4.22Å; F365-F406 HydrophobicContact CD1-CD1 4.45Å; F365-F406 AromaticContact CD1-CE1 3.52Å; F365-F406 HydrophobicContact CD1-CE1 3.52Å; F365-F406 AromaticContact CD1-CZ 3.93Å; F365-F406 HydrophobicContact CD1-CZ 3.93Å; F365-F406 AromaticContact CE1-CD1 3.85Å; F365-F406 HydrophobicContact CE1-CD1 3.85Å; F365-F406 AromaticContact CE1-CE1 3.32Å; F365-F406 HydrophobicContact CE1-CE1 3.32Å; F365-F406 HydrophobicContact CE1-CZ 4.15Å; F365-F406 HydrophobicContact CG-CE1 4.32Å; F365-F406 HydrophobicContact CZ-CD1 4.36Å; F365-F406 AromaticContact CZ-CE1 3.99Å; F365-F406 HydrophobicContact CZ-CE1 3.99Å; R380-F406 HydrophobicContact CB-CD1 4.47Å; I382-F406 HydrophobicContact CB-CD1 3.73Å; I382-F406 HydrophobicContact CB-CD2 4.38Å; I382-F406 HydrophobicContact CB-CE1 3.72Å; I382-F406 HydrophobicContact CB-CE2 4.37Å; I382-F406 HydrophobicContact CB-CG 4.08Å; I382-F406 HydrophobicContact CB-CZ 4.07Å; I382-F406 HydrophobicContact CD1-CE1 4.45Å; I382-F406 HydrophobicContact CD1-CE2 4.13Å; I382-F406 HydrophobicContact CD1-CZ 3.97Å; I382-F406 HydrophobicContact CG1-CE1 4.41Å; I382-F406 HydrophobicContact CG1-CZ 4.41Å; I382-F406 HydrophobicContact CG2-CB 4.36Å; I382-F406 HydrophobicContact CG2-CD1 4.06Å; I382-F406 HydrophobicContact CG2-CD2 4.05Å; I382-F406 HydrophobicContact CG2-CE1 4.4Å; I382-F406 HydrophobicContact CG2-CE2 4.39Å; I382-F406 HydrophobicContact CG2-CG 3.88Å; S403-F406 PolarHBondContact O-N 2.92Å; F404-F406 VanDerWaalsContact C-N 3.34Å; F406-L502 HydrophobicContact CE1-CB 4.02Å; F406-L502 HydrophobicContact CE1-CD2 3.96Å; F406-L502 HydrophobicContact CZ-CD2 3.65Å | ||
| 407 | D | 92.7 | Very high | 91 | Very high | 25 Ų | 25 | 29 Ų | 29 | 13% | 0.134 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -93.7 | -28.1 | 172.1 | -66 | -69.8 | 0 | 0 | 0 | 111.7 | R377 I379 R380 I454 L477 | R377-D407 IonicContact CZ-OD1 3.3Å; R377-D407 IonicContact CZ-OD2 2.64Å; R377-D407 IonicContact NE-OD2 3.4Å; R377-D407 IonicContact NH1-OD1 3.16Å; R377-D407 IonicContact NH2-OD1 2.58Å; R377-D407 PolarHBondContact NH2-OD1 2.93Å; R377-D407 IonicContact NH2-OD2 3.98Å; R377-D407 PolarHBondContact NH2-OD2 3.11Å; I379-D407 HydrophobicContact CD1-CB 4.2Å; I379-D407 HydrophobicContact CG2-CB 4.32Å; R380-D407 PolarHBondContact N-OD2 2.75Å; R380-D407 PolarHBondContact O-N 3.06Å; D407-I454 WeakPolarHBondContact O-CG2 3.43Å; D407-L477 VanDerWaalsContact O-CD1 3.24Å; D407-L477 WeakPolarHBondContact O-CD1 3.42Å |
| 408 | L | 94.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 134.3 | -178.8 | 177.5 | 66.3 | 0 | 0 | 0 | 111.5 | R380 I381 I382 V410 A455 K457 L477 L480 | R380-L408 PolarHBondContact O-N 2.89Å; I381-L408 WeakPolarHBondContact CA-O 3.23Å; I381-L408 HydrophobicContact CD1-CD2 4.39Å; I381-L408 HydrophobicContact CG1-CB 4.34Å; I381-L408 HydrophobicContact CG1-CD2 4.5Å; I381-L408 HydrophobicContact CG2-CB 4.49Å; I381-L408 HydrophobicContact CG2-CD2 4.37Å; I381-L408 HydrophobicContact CG2-CG 4.48Å; I382-L408 PolarHBondContact N-O 3.13Å; L408-V410 HydrophobicContact CD2-CG2 3.71Å; L408-V410 HydrophobicContact CG-CG2 3.83Å; L408-A455 WeakPolarHBondContact CA-O 3.3Å; L408-A455 HydrophobicContact CD1-CB 3.94Å; L408-K457 HydrophobicContact CD1-CB 4.37Å; L408-L477 HydrophobicContact CB-CD1 4.35Å; L408-L480 HydrophobicContact CD2-CB 3.92Å; L408-L480 HydrophobicContact CD2-CD1 3.88Å; L408-L480 HydrophobicContact CD2-CG 4.44Å |
| 409 | V | 96 | Very high | 88.8 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.8 | 168.4 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | I382 F411 W436 I454 A455 S456 K457 | I382-V409 HydrophobicContact CG2-CB 4.07Å; I382-V409 HydrophobicContact CG2-CG1 3.97Å; I382-V409 HydrophobicContact CG2-CG2 3.76Å; V409-F411 HydrophobicContact CB-CE2 4.33Å; V409-F411 HydrophobicContact CG1-CD2 4.14Å; V409-F411 HydrophobicContact CG1-CE1 4.11Å; V409-F411 HydrophobicContact CG1-CE2 3.47Å; V409-F411 VanDerWaalsContact CG1-CE2 3.47Å; V409-F411 HydrophobicContact CG1-CZ 3.45Å; V409-F411 VanDerWaalsContact CG1-CZ 3.45Å; V409-W436 HydrophobicContact CB-CZ2 4.5Å; V409-W436 HydrophobicContact CG2-CH2 4.18Å; V409-W436 HydrophobicContact CG2-CZ2 3.75Å; V409-I454 HydrophobicContact CG2-CB 4.46Å; V409-I454 HydrophobicContact CG2-CD1 4.01Å; V409-I454 HydrophobicContact CG2-CG2 4.06Å; V409-A455 PolarHBondContact N-O 3.14Å; V409-S456 CarbonylContact O-C 3.54Å; V409-S456 VanDerWaalsContact O-CA 3.23Å; V409-S456 WeakPolarHBondContact O-CA 3.49Å; V409-K457 PolarHBondContact O-N 2.84Å |
| 410 | V | 96.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 119 | 177.3 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | I381 I382 I383 F384 L408 K457 V459 F465 | I381-V410 HydrophobicContact CG2-CG2 3.74Å; I382-V410 PolarHBondContact O-N 3.06Å; I383-V410 WeakPolarHBondContact CA-O 3.19Å; I383-V410 HydrophobicContact CG1-CB 4.24Å; F384-V410 PolarHBondContact N-O 3.08Å; L408-V410 HydrophobicContact CD2-CG2 3.71Å; L408-V410 HydrophobicContact CG-CG2 3.83Å; V410-K457 WeakPolarHBondContact CA-O 3.45Å; V410-V459 HydrophobicContact CG1-CB 4.5Å; V410-V459 HydrophobicContact CG1-CG1 4.02Å; V410-V459 HydrophobicContact CG1-CG2 3.65Å; V410-F465 HydrophobicContact CG1-CD1 4.49Å; V410-F465 HydrophobicContact CG1-CE1 4.32Å; V410-F465 HydrophobicContact CG2-CE1 4.16Å; V410-F465 HydrophobicContact CG2-CZ 3.87Å |
| 411 | F | 97 | Very high | 87.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 127.1 | 170.1 | -60.6 | -81 | 0 | 0 | 0 | 109.2 | F384 L396 V409 C432 F433 W436 K457 H458 V459 | F384-F411 HydrophobicContact CD1-CD1 4.24Å; F384-F411 AromaticContact CD1-CE1 3.91Å; F384-F411 HydrophobicContact CD1-CE1 3.91Å; F384-F411 WeakPolarHBondContact O-CA 3.42Å; L396-F411 HydrophobicContact CD2-CE1 3.56Å; L396-F411 HydrophobicContact CD2-CZ 3.87Å; V409-F411 HydrophobicContact CB-CE2 4.33Å; V409-F411 HydrophobicContact CG1-CD2 4.14Å; V409-F411 HydrophobicContact CG1-CE1 4.11Å; V409-F411 HydrophobicContact CG1-CE2 3.47Å; V409-F411 VanDerWaalsContact CG1-CE2 3.47Å; V409-F411 HydrophobicContact CG1-CZ 3.45Å; V409-F411 VanDerWaalsContact CG1-CZ 3.45Å; F411-C432 HydrophobicContact CD1-CB 3.5Å; F411-C432 VanDerWaalsContact CD1-CB 3.5Å; F411-C432 HydrophobicContact CE1-CB 3.72Å; F411-C432 HydrophobicContact CG-CB 4.34Å; F411-F433 HydrophobicContact CB-CB 4.15Å; F411-F433 HydrophobicContact CD2-CB 3.9Å; F411-F433 AromaticContact CD2-CD2 3.67Å; F411-F433 HydrophobicContact CD2-CD2 3.67Å; F411-F433 HydrophobicContact CD2-CG 4.26Å; F411-F433 HydrophobicContact CE2-CD2 4.13Å; F411-F433 HydrophobicContact CG-CB 4.11Å; F411-W436 HydrophobicContact CE2-CB 3.72Å; F411-W436 AromaticContact CE2-CD1 3.97Å; F411-W436 HydrophobicContact CE2-CD2 4.21Å; F411-W436 AromaticContact CE2-CG 3.67Å; F411-W436 HydrophobicContact CE2-CG 3.67Å; F411-W436 HydrophobicContact CZ-CB 3.6Å; F411-W436 AromaticContact CZ-CD2 3.89Å; F411-W436 HydrophobicContact CZ-CD2 3.89Å; F411-W436 HydrophobicContact CZ-CE3 4.13Å; F411-W436 AromaticContact CZ-CG 3.67Å; F411-W436 HydrophobicContact CZ-CG 3.67Å; F411-K457 PolarHBondContact N-O 3.43Å; F411-H458 WeakPolarHBondContact O-CA 3.41Å; F411-H458 PolarHBondContact O-CD2 3.34Å; F411-V459 PolarHBondContact O-N 3.25Å |
| 412 | A | 95.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 149.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I383 T385 D429 V459 L462 M509 | I383-A412 HydrophobicContact CG2-CB 4.43Å; T385-A412 WeakPolarHBondContact CB-O 3.37Å; A412-D429 VanDerWaalsContact C-CB 3.44Å; A412-D429 WeakPolarHBondContact O-CB 3.35Å; A412-V459 HydrophobicContact CB-CG2 3.41Å; A412-V459 VanDerWaalsContact CB-CG2 3.41Å; A412-L462 HydrophobicContact CB-CB 4.05Å; A412-L462 HydrophobicContact CB-CD1 3.91Å; A412-L462 HydrophobicContact CB-CD2 4.45Å; A412-L462 HydrophobicContact CB-CG 4.37Å; A412-M509 HydrophobicContact CB-CE 4.28Å; A412-M509 WeakPolarHBondContact O-CE 3.19Å |
| 413 | N | 93.8 | Very high | 85.9 | Confident | 40 Ų | 40 | 48 Ų | 48 | 21% | 0.214 | 26% | 0.257 | C | S | . | . | trans | -81.5 | 125.4 | 168.2 | -167.4 | -29.4 | 0 | 0 | 0 | 109.7 | H415 D429 | N413-H415 PolarHBondContact O-N 3.06Å; N413-H415 VanDerWaalsContact OD1-CB 3.32Å; N413-H415 WeakPolarHBondContact OD1-CB 3.44Å; N413-H415 PolarHBondContact OD1-CD2 2.74Å; N413-H415 PolarHBondContact OD1-N 3.3Å; N413-D429 PolarHBondContact N-OD2 3.41Å | ||
| 414 | P | 92.5 | Very high | 85.7 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.013 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -73.7 | -13 | 177.7 | 31.4 | -36.3 | 0 | 0 | 0 | 113.4 | T385 I387 D416 M509 R512 | T385-P414 HydrophobicContact CG2-CG 4.41Å; I387-P414 HydrophobicContact CD1-CG 3.95Å; P414-D416 PolarHBondContact O-N 2.89Å; P414-M509 HydrophobicContact CB-CB 4.35Å; P414-M509 HydrophobicContact CB-CE 4.29Å; P414-M509 HydrophobicContact CB-SD 4.38Å; P414-R512 HydrophobicContact CB-CB 4.37Å; P414-R512 PolarHBondContact O-NE 3.34Å; P414-R512 PolarHBondContact O-NH2 3.33Å |
| 415 | H | 90.2 | Very high | 85.7 | Confident | 32 Ų | 32 | 48 Ų | 48 | 15% | 0.148 | 26% | 0.264 | C | S | . | . | trans | -94.9 | 64.6 | -175.9 | -51.5 | -61.8 | 0 | 0 | 0 | 111.5 | N413 G417 I421 K425 | N413-H415 PolarHBondContact O-N 3.06Å; N413-H415 VanDerWaalsContact OD1-CB 3.32Å; N413-H415 WeakPolarHBondContact OD1-CB 3.44Å; N413-H415 PolarHBondContact OD1-CD2 2.74Å; N413-H415 PolarHBondContact OD1-N 3.3Å; H415-G417 PolarHBondContact O-N 3.45Å; H415-I421 HydrophobicContact CB-CD1 3.54Å; H415-I421 HydrophobicContact CB-CG1 4.26Å; H415-K425 PolarHBondContact NE2-O 2.86Å | ||
| 416 | D | 80 | Confident | 85.7 | Confident | 26 Ų | 26 | 53.6 Ų | 53.6 | 14% | 0.139 | 29% | 0.29 | C | S | . | . | trans | -66.6 | 111.4 | 170.3 | -62.3 | -66.9 | 0 | 0 | 0 | 111.1 | P414 F419 S461 L462 S463 R512 | P414-D416 PolarHBondContact O-N 2.89Å; D416-F419 VanDerWaalsContact O-CE2 3.28Å; D416-F419 WeakPolarHBondContact O-CE2 3.02Å; D416-S461 WeakPolarHBondContact OD1-CA 3.45Å; D416-S461 WeakPolarHBondContact OD1-CB 3.36Å; D416-S461 PolarHBondContact OD1-OG 2.95Å; D416-L462 PolarHBondContact OD1-N 3.37Å; D416-S463 VanDerWaalsContact CG-OG 3.22Å; D416-S463 VanDerWaalsContact OD2-CB 3.3Å; D416-S463 WeakPolarHBondContact OD2-CB 3.39Å; D416-S463 PolarHBondContact OD2-N 3.31Å; D416-S463 PolarHBondContact OD2-OG 2.91Å; D416-R512 VanDerWaalsContact N-NH2 3.15Å; D416-R512 PolarHBondContact O-NH2 3.1Å; D416-R512 IonicContact OD2-CZ 3.56Å; D416-R512 IonicContact OD2-NE 2.98Å | ||
| 417 | G | 70.5 | Confident | 85.6 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 61% | 0.608 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 129.6 | -178.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H415 F419 | H415-G417 PolarHBondContact O-N 3.45Å; G417-F419 PolarHBondContact O-N 3.45Å |
| 418 | Q | 68.6 | Low | 85.7 | Confident | 200 Ų | 200 | 54.3 Ų | 54.3 | 94% | 0.935 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -88.9 | 95.2 | 177 | -68.6 | -174.6 | -7.6 | 0 | 0 | 110.4 | ||
| 419 | F | 73.4 | Confident | 85.7 | Confident | 124 Ų | 124 | 54.9 Ų | 54.9 | 54% | 0.544 | 30% | 0.298 | S | S | . | . | trans | -126.5 | 147.5 | 175.5 | -57.4 | -74.1 | 0 | 0 | 0 | 111.3 | D416 G417 I421 | D416-F419 VanDerWaalsContact O-CE2 3.28Å; D416-F419 WeakPolarHBondContact O-CE2 3.02Å; G417-F419 PolarHBondContact O-N 3.45Å; F419-I421 HydrophobicContact CB-CG1 4.31Å; F419-I421 PolarHBondContact O-N 3.26Å; F419-I421 VanDerWaalsContact O-N 3.12Å | ||
| 420 | D | 71.9 | Confident | 85.7 | Confident | 131 Ų | 131 | 60.7 Ų | 60.7 | 70% | 0.701 | 33% | 0.325 | S | S | * | . | trans | -73.3 | 100.2 | 163.5 | -73.7 | -32.6 | 0 | 0 | 0 | 108.8 | K26 | K26-D420 VanDerWaalsContact CE-OD2 3.28Å; K26-D420 WeakPolarHBondContact CE-OD2 3.31Å; K26-D420 IonicContact NZ-OD2 2.74Å; K26-D420 PolarHBondContact NZ-OD2 2.73Å | ||
| 421 | I | 78.3 | Confident | 85.6 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 33% | 0.333 | 35% | 0.346 | S | S | . | . | trans | -89.9 | 125.7 | 177.9 | -57.6 | 162.1 | 0 | 0 | 0 | 108.1 | H415 F419 K425 | H415-I421 HydrophobicContact CB-CD1 3.54Å; H415-I421 HydrophobicContact CB-CG1 4.26Å; F419-I421 HydrophobicContact CB-CG1 4.31Å; F419-I421 PolarHBondContact O-N 3.26Å; F419-I421 VanDerWaalsContact O-N 3.12Å; I421-K425 HydrophobicContact CG2-CB 3.98Å; I421-K425 WeakPolarHBondContact CG2-O 3.44Å | ||
| 422 | L | 78.1 | Confident | 85.6 | Confident | 54 Ų | 54 | 64.7 Ų | 64.7 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | trans | -64.1 | 144.1 | 173.3 | -63.5 | 178.3 | 0 | 0 | 0 | 109.6 | I25 N29 S424 K425 E426 | I25-L422 HydrophobicContact CG2-CD1 3.97Å; I25-L422 HydrophobicContact CG2-CD2 4.17Å; N29-L422 WeakPolarHBondContact ND2-CD2 3.38Å; L422-S424 PolarHBondContact O-N 2.86Å; L422-S424 VanDerWaalsContact O-N 3.09Å; L422-K425 HydrophobicContact CB-CB 4.28Å; L422-K425 HydrophobicContact CB-CG 3.91Å; L422-K425 HydrophobicContact CD1-CG 4.49Å; L422-K425 CarbonylContact O-C 3.54Å; L422-K425 VanDerWaalsContact O-CA 3.29Å; L422-K425 WeakPolarHBondContact O-CA 3.48Å; L422-K425 WeakPolarHBondContact O-CB 3.45Å; L422-K425 PolarHBondContact O-N 3.12Å; L422-E426 PolarHBondContact O-N 3.42Å | ||
| 423 | P | 77.8 | Confident | 85.7 | Confident | 100 Ų | 100 | 66.3 Ų | 66.3 | 65% | 0.649 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -54.3 | -35.4 | 177.4 | -28.5 | 34.8 | 0 | 0 | 0 | 113.4 | K425 E426 | P423-K425 PolarHBondContact O-N 2.83Å; P423-E426 PolarHBondContact O-N 3.44Å |
| 424 | S | 80.7 | Confident | 85.9 | Confident | 66 Ų | 66 | 68.1 Ų | 68.1 | 46% | 0.462 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -66.7 | -7.4 | 174.9 | 64.9 | 0 | 0 | 0 | 0 | 114.9 | G388 L422 | G388-S424 WeakPolarHBondContact CA-O 3.49Å; L422-S424 PolarHBondContact O-N 2.86Å; L422-S424 VanDerWaalsContact O-N 3.09Å |
| 425 | K | 86.8 | Confident | 86 | Confident | 69 Ų | 69 | 69.1 Ų | 69.1 | 30% | 0.3 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -123.9 | 1.7 | -173.6 | -53.3 | -59.5 | -179.1 | 169.6 | 0 | 112.9 | I387 H415 I421 L422 P423 Y508 | I387-K425 VanDerWaalsContact CG2-C 3.47Å; I387-K425 VanDerWaalsContact CG2-CA 3.45Å; I387-K425 WeakPolarHBondContact CG2-O 3.43Å; H415-K425 PolarHBondContact NE2-O 2.86Å; I421-K425 HydrophobicContact CG2-CB 3.98Å; I421-K425 WeakPolarHBondContact CG2-O 3.44Å; L422-K425 HydrophobicContact CB-CB 4.28Å; L422-K425 HydrophobicContact CB-CG 3.91Å; L422-K425 HydrophobicContact CD1-CG 4.49Å; L422-K425 CarbonylContact O-C 3.54Å; L422-K425 VanDerWaalsContact O-CA 3.29Å; L422-K425 WeakPolarHBondContact O-CA 3.48Å; L422-K425 WeakPolarHBondContact O-CB 3.45Å; L422-K425 PolarHBondContact O-N 3.12Å; P423-K425 PolarHBondContact O-N 2.83Å; K425-Y508 HydrophobicContact CD-CE2 3.66Å; K425-Y508 WeakPolarHBondContact CD-OH 3.42Å; K425-Y508 VanDerWaalsContact CE-OH 3.27Å; K425-Y508 WeakPolarHBondContact CE-OH 3.41Å; K425-Y508 PolarHBondContact NZ-OH 3.4Å; K425-Y508 VanDerWaalsContact NZ-OH 3.13Å |
| 426 | E | 89.7 | Confident | 86.3 | Confident | 117 Ų | 117 | 67.6 Ų | 67.6 | 55% | 0.547 | 36% | 0.36 | S | S | . | . | trans | -64.5 | 143.2 | 176.6 | -169.7 | 169.3 | -168.4 | 0 | 0 | 111.1 | I387 G388 L422 P423 | I387-E426 CarbonylContact C-O 3.5Å; I387-E426 VanDerWaalsContact CA-O 3.3Å; I387-E426 WeakPolarHBondContact CA-O 3.48Å; G388-E426 PolarHBondContact N-O 3.39Å; L422-E426 PolarHBondContact O-N 3.42Å; P423-E426 PolarHBondContact O-N 3.44Å | ||
| 427 | S | 92.5 | Very high | 87 | Confident | 13 Ų | 13 | 73.8 Ų | 73.8 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -86.7 | 138 | 177.9 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | T385 D429 | T385-S427 PolarHBondContact OG1-OG 3.49Å; S427-D429 WeakPolarHBondContact CB-OD1 3.37Å; S427-D429 PolarHBondContact OG-N 3.31Å; S427-D429 PolarHBondContact OG-OD1 2.65Å |
| 428 | L | 94.7 | Very high | 88.1 | Confident | 37 Ų | 37 | 76.4 Ų | 76.4 | 19% | 0.194 | 38% | 0.378 | C | S | . | . | trans | -103.4 | 28.3 | 175.3 | -57.6 | -176.1 | 0 | 0 | 0 | 111.1 | V386 G388 R390 P392 E430 L431 C432 | V386-L428 HydrophobicContact CB-CB 4.43Å; V386-L428 HydrophobicContact CB-CD1 4.43Å; V386-L428 HydrophobicContact CG1-CD1 4.09Å; V386-L428 WeakPolarHBondContact O-CB 3.39Å; V386-L428 PolarHBondContact O-N 3.43Å; G388-L428 WeakPolarHBondContact O-CD1 3.26Å; R390-L428 WeakPolarHBondContact O-CD1 3.37Å; P392-L428 HydrophobicContact CG-CB 4.42Å; P392-L428 HydrophobicContact CG-CD1 3.81Å; L428-E430 PolarHBondContact O-N 3.47Å; L428-L431 HydrophobicContact CB-CB 4.36Å; L428-L431 HydrophobicContact CD1-CD2 4.45Å; L428-L431 CarbonylContact O-C 3.58Å; L428-L431 PolarHBondContact O-N 3.43Å; L428-C432 WeakPolarHBondContact O-CB 3.49Å; L428-C432 PolarHBondContact O-N 3.07Å; L428-C432 PolarHBondContact O-SG 3.25Å | ||
| 429 | D | 95.1 | Very high | 89.2 | Confident | 15 Ų | 15 | 67.1 Ų | 67.1 | 8% | 0.08 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61 | -43.5 | -171.4 | 50.9 | -63.9 | 0 | 0 | 0 | 113.2 | A412 N413 S427 C432 F433 H458 | A412-D429 VanDerWaalsContact C-CB 3.44Å; A412-D429 WeakPolarHBondContact O-CB 3.35Å; N413-D429 PolarHBondContact N-OD2 3.41Å; S427-D429 WeakPolarHBondContact CB-OD1 3.37Å; S427-D429 PolarHBondContact OG-N 3.31Å; S427-D429 PolarHBondContact OG-OD1 2.65Å; D429-C432 WeakPolarHBondContact O-CB 3.33Å; D429-C432 PolarHBondContact O-N 2.87Å; D429-F433 PolarHBondContact O-N 3.4Å; D429-H458 IonicContact OD2-CD2 3.77Å; D429-H458 IonicContact OD2-CE1 2.66Å; D429-H458 IonicContact OD2-NE2 3.81Å; D429-H458 PolarHBondContact OD2-NE2 3.03Å |
| 430 | E | 95.2 | Very high | 89.9 | Confident | 125 Ų | 125 | 61.9 Ų | 61.9 | 58% | 0.584 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.9 | -43.2 | 175.7 | -169.3 | 179.7 | -176.2 | 0 | 0 | 111.4 | L428 C432 F433 N434 | L428-E430 PolarHBondContact O-N 3.47Å; E430-C432 VanDerWaalsContact C-N 3.32Å; E430-C432 PolarHBondContact O-N 2.79Å; E430-F433 PolarHBondContact O-N 3.22Å; E430-N434 PolarHBondContact O-N 2.52Å; E430-N434 PolarHBondContact O-ND2 3.3Å |
| 431 | L | 96.2 | Very high | 90.6 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 44% | 0.435 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 174.1 | 178.7 | 61.3 | 0 | 0 | 0 | 111.4 | P392 L428 F433 N434 I435 | P392-L431 HydrophobicContact CG-CD2 4.07Å; P392-L431 HydrophobicContact CG-CG 4.34Å; L428-L431 HydrophobicContact CB-CB 4.36Å; L428-L431 HydrophobicContact CD1-CD2 4.45Å; L428-L431 CarbonylContact O-C 3.58Å; L428-L431 PolarHBondContact O-N 3.43Å; L431-F433 VanDerWaalsContact C-N 3.34Å; L431-N434 PolarHBondContact O-N 3.38Å; L431-I435 HydrophobicContact CD1-CD1 3.82Å; L431-I435 HydrophobicContact CD1-CG1 4.07Å; L431-I435 HydrophobicContact CD2-CD1 4.47Å; L431-I435 HydrophobicContact CG-CD1 3.8Å; L431-I435 HydrophobicContact CG-CG1 4.44Å; L431-I435 VanDerWaalsContact O-CG1 3.3Å; L431-I435 WeakPolarHBondContact O-CG1 3.23Å; L431-I435 PolarHBondContact O-N 2.89Å |
| 432 | C | 97.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.7 | -46 | 176.2 | -71.4 | 0 | 0 | 0 | 0 | 110.6 | L396 F411 L428 D429 E430 I435 W436 | L396-C432 HydrophobicContact CD1-CB 4.47Å; L396-C432 WeakPolarHBondContact CD1-O 2.86Å; L396-C432 HydrophobicContact CD2-CB 4.32Å; F411-C432 HydrophobicContact CD1-CB 3.5Å; F411-C432 VanDerWaalsContact CD1-CB 3.5Å; F411-C432 HydrophobicContact CE1-CB 3.72Å; F411-C432 HydrophobicContact CG-CB 4.34Å; L428-C432 WeakPolarHBondContact O-CB 3.49Å; L428-C432 PolarHBondContact O-N 3.07Å; L428-C432 PolarHBondContact O-SG 3.25Å; D429-C432 WeakPolarHBondContact O-CB 3.33Å; D429-C432 PolarHBondContact O-N 2.87Å; E430-C432 VanDerWaalsContact C-N 3.32Å; E430-C432 PolarHBondContact O-N 2.79Å; C432-I435 PolarHBondContact O-N 3.2Å; C432-W436 VanDerWaalsContact O-CB 3.26Å; C432-W436 WeakPolarHBondContact O-CB 3.21Å; C432-W436 PolarHBondContact O-N 2.96Å |
| 433 | F | 96.8 | Very high | 90.8 | Very high | 34 Ų | 34 | 59.3 Ų | 59.3 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 177.5 | -179 | -121.9 | 0 | 0 | 0 | 112 | F411 D429 E430 L431 W436 R437 H458 | F411-F433 HydrophobicContact CB-CB 4.15Å; F411-F433 HydrophobicContact CD2-CB 3.9Å; F411-F433 AromaticContact CD2-CD2 3.67Å; F411-F433 HydrophobicContact CD2-CD2 3.67Å; F411-F433 HydrophobicContact CD2-CG 4.26Å; F411-F433 HydrophobicContact CE2-CD2 4.13Å; F411-F433 HydrophobicContact CG-CB 4.11Å; D429-F433 PolarHBondContact O-N 3.4Å; E430-F433 PolarHBondContact O-N 3.22Å; L431-F433 VanDerWaalsContact C-N 3.34Å; F433-W436 WeakPolarHBondContact O-CB 3.15Å; F433-W436 PolarHBondContact O-N 3.46Å; F433-R437 HydrophobicContact CD2-CG 4.46Å; F433-R437 HydrophobicContact CE2-CG 4.18Å; F433-R437 HydrophobicContact CZ-CG 4.28Å; F433-R437 WeakPolarHBondContact O-CG 3.47Å; F433-R437 PolarHBondContact O-N 3.38Å; F433-H458 HydrophobicContact CB-CB 4.14Å; F433-H458 HydrophobicContact CD1-CB 3.65Å; F433-H458 HydrophobicContact CD2-CB 4.2Å; F433-H458 HydrophobicContact CE1-CB 4Å; F433-H458 HydrophobicContact CG-CB 3.74Å; F433-H458 HydrophobicContact CZ-CB 4.4Å |
| 434 | N | 96.8 | Very high | 90.2 | Very high | 78 Ų | 78 | 59.6 Ų | 59.6 | 42% | 0.417 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 178.6 | -71.8 | -30.6 | 0 | 0 | 0 | 112.3 | E430 L431 W436 R437 Q438 | E430-N434 PolarHBondContact O-N 2.52Å; E430-N434 PolarHBondContact O-ND2 3.3Å; L431-N434 PolarHBondContact O-N 3.38Å; N434-W436 VanDerWaalsContact C-N 3.31Å; N434-W436 PolarHBondContact O-N 2.82Å; N434-R437 PolarHBondContact O-N 3.05Å; N434-Q438 WeakPolarHBondContact O-CG 3.29Å; N434-Q438 PolarHBondContact O-N 3.5Å; N434-Q438 VanDerWaalsContact O-N 3.16Å |
| 435 | I | 96.4 | Very high | 89.3 | Confident | 23 Ų | 23 | 62.2 Ų | 62.2 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 175.6 | -64.7 | 167.8 | 0 | 0 | 0 | 110.5 | P392 K393 L396 L431 C432 Q438 L439 | P392-I435 HydrophobicContact CB-CD1 4.09Å; P392-I435 HydrophobicContact CG-CD1 4.13Å; K393-I435 HydrophobicContact CB-CG2 4.43Å; K393-I435 HydrophobicContact CG-CG2 4.38Å; L396-I435 HydrophobicContact CD1-CB 3.56Å; L396-I435 HydrophobicContact CD1-CG2 3.47Å; L396-I435 VanDerWaalsContact CD1-CG2 3.47Å; L431-I435 HydrophobicContact CD1-CD1 3.82Å; L431-I435 HydrophobicContact CD1-CG1 4.07Å; L431-I435 HydrophobicContact CD2-CD1 4.47Å; L431-I435 HydrophobicContact CG-CD1 3.8Å; L431-I435 HydrophobicContact CG-CG1 4.44Å; L431-I435 VanDerWaalsContact O-CG1 3.3Å; L431-I435 WeakPolarHBondContact O-CG1 3.23Å; L431-I435 PolarHBondContact O-N 2.89Å; C432-I435 PolarHBondContact O-N 3.2Å; I435-Q438 WeakPolarHBondContact O-CB 3.49Å; I435-Q438 PolarHBondContact O-N 3.41Å; I435-L439 HydrophobicContact CG2-CD1 4.08Å; I435-L439 HydrophobicContact CG2-CG 4.31Å; I435-L439 WeakPolarHBondContact O-CG 3.39Å; I435-L439 PolarHBondContact O-N 2.83Å |
| 436 | W | 95.6 | Very high | 88 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 176.9 | -179.6 | -93.6 | 0 | 0 | 0 | 111.8 | L396 L399 Q400 V409 F411 C432 F433 N434 Q438 L439 E440 I454 | L396-W436 HydrophobicContact CB-CE3 4.26Å; L396-W436 HydrophobicContact CD2-CE3 4.15Å; L399-W436 HydrophobicContact CB-CH2 4.16Å; L399-W436 HydrophobicContact CB-CZ3 3.63Å; Q400-W436 HydrophobicContact CB-CH2 4.16Å; Q400-W436 HydrophobicContact CB-CZ3 4.03Å; V409-W436 HydrophobicContact CB-CZ2 4.5Å; V409-W436 HydrophobicContact CG2-CH2 4.18Å; V409-W436 HydrophobicContact CG2-CZ2 3.75Å; F411-W436 HydrophobicContact CE2-CB 3.72Å; F411-W436 AromaticContact CE2-CD1 3.97Å; F411-W436 HydrophobicContact CE2-CD2 4.21Å; F411-W436 AromaticContact CE2-CG 3.67Å; F411-W436 HydrophobicContact CE2-CG 3.67Å; F411-W436 HydrophobicContact CZ-CB 3.6Å; F411-W436 AromaticContact CZ-CD2 3.89Å; F411-W436 HydrophobicContact CZ-CD2 3.89Å; F411-W436 HydrophobicContact CZ-CE3 4.13Å; F411-W436 AromaticContact CZ-CG 3.67Å; F411-W436 HydrophobicContact CZ-CG 3.67Å; C432-W436 VanDerWaalsContact O-CB 3.26Å; C432-W436 WeakPolarHBondContact O-CB 3.21Å; C432-W436 PolarHBondContact O-N 2.96Å; F433-W436 WeakPolarHBondContact O-CB 3.15Å; F433-W436 PolarHBondContact O-N 3.46Å; N434-W436 VanDerWaalsContact C-N 3.31Å; N434-W436 PolarHBondContact O-N 2.82Å; W436-Q438 VanDerWaalsContact C-N 3.27Å; W436-Q438 PolarHBondContact O-N 2.91Å; W436-L439 PolarHBondContact O-N 3.19Å; W436-E440 HydrophobicContact CZ2-CG 4.42Å; W436-E440 WeakPolarHBondContact O-CG 3.49Å; W436-E440 PolarHBondContact O-N 3.47Å; W436-I454 HydrophobicContact CH2-CD1 4.25Å; W436-I454 HydrophobicContact CZ2-CD1 4Å |
| 437 | R | 93.9 | Very high | 85.7 | Confident | 156 Ų | 156 | 60.9 Ų | 60.9 | 59% | 0.589 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.2 | -36.3 | 177.3 | -67.5 | -167.3 | 77.8 | 174.8 | 5.7 | 112.6 | F433 N434 S441 | F433-R437 HydrophobicContact CD2-CG 4.46Å; F433-R437 HydrophobicContact CE2-CG 4.18Å; F433-R437 HydrophobicContact CZ-CG 4.28Å; F433-R437 WeakPolarHBondContact O-CG 3.47Å; F433-R437 PolarHBondContact O-N 3.38Å; N434-R437 PolarHBondContact O-N 3.05Å; R437-S441 PolarHBondContact O-N 2.92Å |
| 438 | Q | 93.6 | Very high | 83.3 | Confident | 114 Ų | 114 | 68 Ų | 68 | 53% | 0.533 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.4 | -49.8 | 173.8 | -70.6 | 174 | -8.2 | 0 | 0 | 111.1 | N434 I435 W436 E440 S441 E442 | N434-Q438 WeakPolarHBondContact O-CG 3.29Å; N434-Q438 PolarHBondContact O-N 3.5Å; N434-Q438 VanDerWaalsContact O-N 3.16Å; I435-Q438 WeakPolarHBondContact O-CB 3.49Å; I435-Q438 PolarHBondContact O-N 3.41Å; W436-Q438 VanDerWaalsContact C-N 3.27Å; W436-Q438 PolarHBondContact O-N 2.91Å; Q438-E440 VanDerWaalsContact C-N 3.31Å; Q438-E440 PolarHBondContact O-N 2.73Å; Q438-S441 PolarHBondContact O-N 3.14Å; Q438-S441 VanDerWaalsContact O-N 3.09Å; Q438-S441 PolarHBondContact O-OG 3.39Å; Q438-E442 WeakPolarHBondContact O-CG 3.22Å; Q438-E442 PolarHBondContact O-N 3.4Å |
| 439 | L | 91.7 | Very high | 81 | Confident | 6 Ų | 6 | 69.9 Ų | 69.9 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.1 | -39.3 | 178.7 | -70.4 | 172.1 | 0 | 0 | 0 | 112.8 | L396 K397 Q400 I435 W436 E442 S443 | L396-L439 HydrophobicContact CB-CD1 3.7Å; K397-L439 HydrophobicContact CG-CD1 4.3Å; K397-L439 HydrophobicContact CG-CD2 4.31Å; Q400-L439 PolarHBondContact NE2-O 3.38Å; Q400-L439 VanDerWaalsContact NE2-O 3.1Å; I435-L439 HydrophobicContact CG2-CD1 4.08Å; I435-L439 HydrophobicContact CG2-CG 4.31Å; I435-L439 WeakPolarHBondContact O-CG 3.39Å; I435-L439 PolarHBondContact O-N 2.83Å; W436-L439 PolarHBondContact O-N 3.19Å; L439-E442 PolarHBondContact O-N 3.43Å; L439-S443 PolarHBondContact O-N 2.92Å; L439-S443 VanDerWaalsContact O-N 3.16Å; L439-S443 PolarHBondContact O-OG 3.3Å |
| 440 | E | 88.5 | Confident | 78.8 | Confident | 14 Ų | 14 | 76.2 Ų | 76.2 | 7% | 0.065 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -70.3 | -31.9 | 176.2 | -71.5 | -66.6 | 105.8 | 0 | 0 | 112.6 | Q400 W436 Q438 S443 N444 S453 I454 | Q400-E440 PolarHBondContact NE2-OE1 2.98Å; W436-E440 HydrophobicContact CZ2-CG 4.42Å; W436-E440 WeakPolarHBondContact O-CG 3.49Å; W436-E440 PolarHBondContact O-N 3.47Å; Q438-E440 VanDerWaalsContact C-N 3.31Å; Q438-E440 PolarHBondContact O-N 2.73Å; E440-S443 WeakPolarHBondContact CA-OG 3.44Å; E440-S443 PolarHBondContact O-OG 2.79Å; E440-N444 PolarHBondContact O-N 3.33Å; E440-N444 PolarHBondContact O-ND2 2.89Å; E440-S453 VanDerWaalsContact OE2-CA 3.22Å; E440-S453 WeakPolarHBondContact OE2-CA 3.27Å; E440-S453 WeakPolarHBondContact OE2-CB 3.45Å; E440-S453 PolarHBondContact OE2-OG 3.48Å; E440-I454 PolarHBondContact OE2-N 3.31Å |
| 441 | S | 86.7 | Confident | 76.9 | Confident | 64 Ų | 64 | 72.9 Ų | 72.9 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71.3 | -38.6 | 174.3 | 72.6 | 0 | 0 | 0 | 0 | 112.1 | R437 Q438 N444 T445 | R437-S441 PolarHBondContact O-N 2.92Å; Q438-S441 PolarHBondContact O-N 3.14Å; Q438-S441 VanDerWaalsContact O-N 3.09Å; Q438-S441 PolarHBondContact O-OG 3.39Å; S441-N444 PolarHBondContact O-N 3.05Å; S441-T445 WeakPolarHBondContact O-CG2 3.44Å; S441-T445 PolarHBondContact O-N 2.92Å |
| 442 | E | 84.3 | Confident | 75.3 | Confident | 108 Ų | 108 | 75.8 Ų | 75.8 | 51% | 0.505 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 177.7 | -72.3 | 173.7 | -173.2 | 0 | 0 | 111 | Q438 L439 N444 T445 G446 | Q438-E442 WeakPolarHBondContact O-CG 3.22Å; Q438-E442 PolarHBondContact O-N 3.4Å; L439-E442 PolarHBondContact O-N 3.43Å; E442-N444 VanDerWaalsContact C-N 3.31Å; E442-N444 PolarHBondContact O-N 2.82Å; E442-T445 PolarHBondContact O-N 2.94Å; E442-T445 PolarHBondContact O-OG1 2.9Å; E442-G446 PolarHBondContact O-N 3.48Å |
| 443 | S | 76 | Confident | 74.4 | Confident | 24 Ų | 24 | 78.6 Ų | 78.6 | 17% | 0.168 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.3 | -34.8 | 179.6 | 58.1 | 0 | 0 | 0 | 0 | 113.1 | L439 E440 T445 G446 | L439-S443 PolarHBondContact O-N 2.92Å; L439-S443 VanDerWaalsContact O-N 3.16Å; L439-S443 PolarHBondContact O-OG 3.3Å; E440-S443 WeakPolarHBondContact CA-OG 3.44Å; E440-S443 PolarHBondContact O-OG 2.79Å; S443-T445 VanDerWaalsContact C-N 3.3Å; S443-T445 PolarHBondContact O-N 3.23Å; S443-G446 PolarHBondContact O-N 3.22Å |
| 444 | N | 66 | Low | 74 | Confident | 106 Ų | 106 | 77.5 Ų | 77.5 | 57% | 0.567 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -71.8 | -21.5 | 177.8 | -73.5 | -30.1 | 0 | 0 | 0 | 113.7 | E440 S441 E442 | E440-N444 PolarHBondContact O-N 3.33Å; E440-N444 PolarHBondContact O-ND2 2.89Å; S441-N444 PolarHBondContact O-N 3.05Å; E442-N444 VanDerWaalsContact C-N 3.31Å; E442-N444 PolarHBondContact O-N 2.82Å |
| 445 | T | 62.5 | Low | 73.7 | Confident | 120 Ų | 120 | 75 Ų | 75 | 74% | 0.736 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -87.8 | -15.8 | 177.9 | 60 | 0 | 0 | 0 | 0 | 113.6 | S441 E442 S443 S447 | S441-T445 WeakPolarHBondContact O-CG2 3.44Å; S441-T445 PolarHBondContact O-N 2.92Å; E442-T445 PolarHBondContact O-N 2.94Å; E442-T445 PolarHBondContact O-OG1 2.9Å; S443-T445 VanDerWaalsContact C-N 3.3Å; S443-T445 PolarHBondContact O-N 3.23Å; T445-S447 PolarHBondContact O-N 2.92Å |
| 446 | G | 57.8 | Low | 73.6 | Confident | 44 Ų | 44 | 75.7 Ų | 75.7 | 45% | 0.454 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -83.2 | 109.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E442 S443 N448 | E442-G446 PolarHBondContact O-N 3.48Å; S443-G446 PolarHBondContact O-N 3.22Å; G446-N448 PolarHBondContact O-N 3.35Å |
| 447 | S | 42.8 | Very low | 73.5 | Confident | 115 Ų | 115 | 77.7 Ų | 77.7 | 80% | 0.804 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 20.4 | -169.3 | 54.4 | 0 | 0 | 0 | 0 | 117.9 | T445 | T445-S447 PolarHBondContact O-N 2.92Š|
| 448 | N | 41.5 | Very low | 73.5 | Confident | 161 Ų | 161 | 73 Ų | 73 | 86% | 0.861 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.5 | 32.4 | -174.5 | -94.1 | -25.1 | 0 | 0 | 0 | 117.2 | G446 | G446-N448 PolarHBondContact O-N 3.35Š|
| 449 | S | 46.8 | Very low | 73.5 | Confident | 78 Ų | 78 | 67.7 Ų | 67.7 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | trans | -156.4 | 134.6 | 158.9 | 68.5 | 0 | 0 | 0 | 0 | 112.5 | T451 | S449-T451 PolarHBondContact O-N 3.28Å; S449-T451 WeakPolarHBondContact OG-CG2 3.34Å | ||
| 450 | T | 49 | Very low | 73.4 | Confident | 148 Ų | 148 | 76 Ų | 76 | 91% | 0.908 | 44% | 0.443 | S | S | * | . | trans | -65.8 | 66.5 | 167.1 | 49.1 | 0 | 0 | 0 | 0 | 110.1 | H452 | T450-H452 PolarHBondContact O-N 2.87Š| ||
| 451 | T | 54.3 | Low | 73.6 | Confident | 54 Ų | 54 | 77.1 Ų | 77.1 | 33% | 0.331 | 45% | 0.453 | S | S | . | . | trans | -74.3 | 108.9 | 170.5 | 39.1 | 0 | 0 | 0 | 0 | 106.8 | S449 S453 | S449-T451 PolarHBondContact O-N 3.28Å; S449-T451 WeakPolarHBondContact OG-CG2 3.34Å; T451-S453 PolarHBondContact O-N 3.48Å | ||
| 452 | H | 64.1 | Low | 74 | Confident | 145 Ų | 145 | 74.1 Ų | 74.1 | 67% | 0.671 | 43% | 0.432 | S | S | * | . | trans | -62.5 | 107.8 | 176.7 | -154.7 | -38.6 | 0 | 0 | 0 | 107.4 | T450 | T450-H452 PolarHBondContact O-N 2.87Š| ||
| 453 | S | 77.6 | Confident | 74.4 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 41% | 0.406 | 41% | 0.411 | S | S | . | . | trans | -67.6 | 138.1 | 174.7 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | E440 T451 | E440-S453 VanDerWaalsContact OE2-CA 3.22Å; E440-S453 WeakPolarHBondContact OE2-CA 3.27Å; E440-S453 WeakPolarHBondContact OE2-CB 3.45Å; E440-S453 PolarHBondContact OE2-OG 3.48Å; T451-S453 PolarHBondContact O-N 3.48Å | ||
| 454 | I | 87.1 | Confident | 75.3 | Confident | 11 Ų | 11 | 70.4 Ų | 70.4 | 6% | 0.056 | 42% | 0.42 | C | S | . | . | trans | -108 | 139.1 | 178.2 | -51.1 | 158.8 | 0 | 0 | 0 | 109.2 | S403 D407 V409 W436 E440 S456 | S403-I454 WeakPolarHBondContact O-CD1 3.41Å; D407-I454 WeakPolarHBondContact O-CG2 3.43Å; V409-I454 HydrophobicContact CG2-CB 4.46Å; V409-I454 HydrophobicContact CG2-CD1 4.01Å; V409-I454 HydrophobicContact CG2-CG2 4.06Å; W436-I454 HydrophobicContact CH2-CD1 4.25Å; W436-I454 HydrophobicContact CZ2-CD1 4Å; E440-I454 PolarHBondContact OE2-N 3.31Å; I454-S456 PolarHBondContact O-N 3.07Å | ||
| 455 | A | 91.1 | Very high | 76.7 | Confident | 25 Ų | 25 | 65.5 Ų | 65.5 | 21% | 0.207 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 140.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L408 V409 L477 | L408-A455 WeakPolarHBondContact CA-O 3.3Å; L408-A455 HydrophobicContact CD1-CB 3.94Å; V409-A455 PolarHBondContact N-O 3.14Å; A455-L477 HydrophobicContact CB-CD1 3.77Å; A455-L477 HydrophobicContact CB-CD2 4.27Å; A455-L477 HydrophobicContact CB-CG 4.36Å |
| 456 | S | 93.9 | Very high | 78.2 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 27% | 0.266 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 145.6 | 176.1 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | V409 I454 | V409-S456 CarbonylContact O-C 3.54Å; V409-S456 VanDerWaalsContact O-CA 3.23Å; V409-S456 WeakPolarHBondContact O-CA 3.49Å; I454-S456 PolarHBondContact O-N 3.07Å |
| 457 | K | 93.9 | Very high | 79.9 | Confident | 43 Ų | 43 | 63.3 Ų | 63.3 | 19% | 0.187 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 138.3 | 179.2 | -174.1 | 177.5 | -79.4 | -99.8 | 0 | 109.9 | L408 V409 V410 F411 V459 L480 E481 F483 | L408-K457 HydrophobicContact CD1-CB 4.37Å; V409-K457 PolarHBondContact O-N 2.84Å; V410-K457 WeakPolarHBondContact CA-O 3.45Å; F411-K457 PolarHBondContact N-O 3.43Å; K457-V459 HydrophobicContact CD-CG1 4.05Å; K457-V459 HydrophobicContact CG-CG1 4.1Å; K457-L480 WeakPolarHBondContact CE-O 3.12Å; K457-E481 PolarHBondContact NZ-O 2.99Å; K457-F483 HydrophobicContact CD-CB 4.48Å |
| 458 | H | 95.2 | Very high | 82.3 | Confident | 57 Ų | 57 | 59 Ų | 59 | 26% | 0.264 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.6 | 163.6 | 177.8 | -106.4 | 0 | 0 | 0 | 108.9 | F411 D429 F433 | F411-H458 WeakPolarHBondContact O-CA 3.41Å; F411-H458 PolarHBondContact O-CD2 3.34Å; D429-H458 IonicContact OD2-CD2 3.77Å; D429-H458 IonicContact OD2-CE1 2.66Å; D429-H458 IonicContact OD2-NE2 3.81Å; D429-H458 PolarHBondContact OD2-NE2 3.03Å; F433-H458 HydrophobicContact CB-CB 4.14Å; F433-H458 HydrophobicContact CD1-CB 3.65Å; F433-H458 HydrophobicContact CD2-CB 4.2Å; F433-H458 HydrophobicContact CE1-CB 4Å; F433-H458 HydrophobicContact CG-CB 3.74Å; F433-H458 HydrophobicContact CZ-CB 4.4Å |
| 459 | V | 93.7 | Very high | 84.8 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126.5 | 178.7 | -63.1 | 0 | 0 | 0 | 0 | 110.2 | V410 F411 A412 K457 S461 F465 F483 | V410-V459 HydrophobicContact CG1-CB 4.5Å; V410-V459 HydrophobicContact CG1-CG1 4.02Å; V410-V459 HydrophobicContact CG1-CG2 3.65Å; F411-V459 PolarHBondContact O-N 3.25Å; A412-V459 HydrophobicContact CB-CG2 3.41Å; A412-V459 VanDerWaalsContact CB-CG2 3.41Å; K457-V459 HydrophobicContact CD-CG1 4.05Å; K457-V459 HydrophobicContact CG-CG1 4.1Å; V459-S461 VanDerWaalsContact C-N 3.34Å; V459-S461 PolarHBondContact O-N 3.45Å; V459-F465 HydrophobicContact CB-CB 4.47Å; V459-F465 HydrophobicContact CG1-CB 4.44Å; V459-F465 HydrophobicContact CG1-CD2 3.94Å; V459-F465 HydrophobicContact CG1-CG 4.26Å; V459-F465 HydrophobicContact CG2-CB 4.29Å; V459-F465 HydrophobicContact CG2-CG 4.5Å; V459-F483 HydrophobicContact CB-CE1 4.37Å; V459-F483 HydrophobicContact CG1-CD1 4.1Å; V459-F483 HydrophobicContact CG1-CE1 4.07Å |
| 460 | E | 89.1 | Confident | 86.9 | Confident | 180 Ų | 180 | 49.3 Ų | 49.3 | 84% | 0.841 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -66.9 | -35.2 | -178.6 | -66.3 | -176.8 | 173.2 | 0 | 0 | 112.7 | ||
| 461 | S | 92.7 | Very high | 88.9 | Confident | 39 Ų | 39 | 47.1 Ų | 47.1 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | trans | -126.7 | 115.8 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | D416 V459 S463 A464 F465 | D416-S461 WeakPolarHBondContact OD1-CA 3.45Å; D416-S461 WeakPolarHBondContact OD1-CB 3.36Å; D416-S461 PolarHBondContact OD1-OG 2.95Å; V459-S461 VanDerWaalsContact C-N 3.34Å; V459-S461 PolarHBondContact O-N 3.45Å; S461-S463 VanDerWaalsContact C-N 3.34Å; S461-A464 PolarHBondContact O-N 3.47Å; S461-A464 PolarHBondContact OG-N 2.97Å; S461-F465 PolarHBondContact O-N 3.2Å; S461-F465 VanDerWaalsContact O-N 3.1Å | ||
| 462 | L | 94.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.4 | -41.8 | 175.2 | -179.5 | 56.2 | 0 | 0 | 0 | 110.8 | I383 A412 D416 A464 F465 V466 M509 R512 I513 | I383-L462 HydrophobicContact CD1-CD1 4.2Å; I383-L462 HydrophobicContact CG2-CD1 3.87Å; A412-L462 HydrophobicContact CB-CB 4.05Å; A412-L462 HydrophobicContact CB-CD1 3.91Å; A412-L462 HydrophobicContact CB-CD2 4.45Å; A412-L462 HydrophobicContact CB-CG 4.37Å; D416-L462 PolarHBondContact OD1-N 3.37Å; L462-A464 VanDerWaalsContact C-N 3.33Å; L462-A464 PolarHBondContact O-N 2.89Å; L462-F465 PolarHBondContact O-N 2.88Å; L462-V466 HydrophobicContact CD1-CG2 3.89Å; L462-V466 HydrophobicContact CG-CG2 4.21Å; L462-V466 WeakPolarHBondContact O-CB 3.31Å; L462-V466 WeakPolarHBondContact O-CG2 3.45Å; L462-V466 PolarHBondContact O-N 2.99Å; L462-M509 HydrophobicContact CD2-CE 4.22Å; L462-M509 HydrophobicContact CD2-SD 3.24Å; L462-M509 WeakPolarHBondContact CD2-SD 3.32Å; L462-R512 HydrophobicContact CB-CG 4.47Å; L462-R512 HydrophobicContact CD2-CB 4.11Å; L462-R512 HydrophobicContact CD2-CG 3.64Å; L462-R512 HydrophobicContact CG-CG 4.1Å; L462-I513 HydrophobicContact CD1-CD1 3.98Å; L462-I513 HydrophobicContact CD2-CD1 4.1Å; L462-I513 HydrophobicContact CG-CD1 4.12Å |
| 463 | S | 94 | Very high | 91.6 | Very high | 12 Ų | 12 | 44.5 Ų | 44.5 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 177 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | D416 S461 V466 K467 R512 E516 | D416-S463 VanDerWaalsContact CG-OG 3.22Å; D416-S463 VanDerWaalsContact OD2-CB 3.3Å; D416-S463 WeakPolarHBondContact OD2-CB 3.39Å; D416-S463 PolarHBondContact OD2-N 3.31Å; D416-S463 PolarHBondContact OD2-OG 2.91Å; S461-S463 VanDerWaalsContact C-N 3.34Å; S463-V466 PolarHBondContact O-N 2.96Å; S463-K467 WeakPolarHBondContact O-CB 3.37Å; S463-K467 WeakPolarHBondContact O-CG 3.23Å; S463-K467 PolarHBondContact O-N 3.25Å; S463-R512 PolarHBondContact OG-NH1 3.18Å; S463-E516 VanDerWaalsContact OG-CD 3.25Å; S463-E516 PolarHBondContact OG-OE1 3.16Å; S463-E516 VanDerWaalsContact OG-OE1 3.1Å |
| 464 | A | 93.8 | Very high | 92.1 | Very high | 43 Ų | 43 | 46.3 Ų | 46.3 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.1 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S461 L462 K467 W468 F483 | S461-A464 PolarHBondContact O-N 3.47Å; S461-A464 PolarHBondContact OG-N 2.97Å; L462-A464 VanDerWaalsContact C-N 3.33Å; L462-A464 PolarHBondContact O-N 2.89Å; A464-K467 PolarHBondContact O-N 3.39Å; A464-W468 VanDerWaalsContact O-CB 3.27Å; A464-W468 WeakPolarHBondContact O-CB 3.5Å; A464-W468 PolarHBondContact O-N 3.01Å; A464-F483 HydrophobicContact CB-CZ 4.19Å |
| 465 | F | 95.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 177.2 | -178.2 | -102.4 | 0 | 0 | 0 | 112.5 | I383 V410 V459 S461 L462 W468 I469 F483 | I383-F465 HydrophobicContact CD1-CD1 4.33Å; I383-F465 HydrophobicContact CD1-CE1 4.11Å; V410-F465 HydrophobicContact CG1-CD1 4.49Å; V410-F465 HydrophobicContact CG1-CE1 4.32Å; V410-F465 HydrophobicContact CG2-CE1 4.16Å; V410-F465 HydrophobicContact CG2-CZ 3.87Å; V459-F465 HydrophobicContact CB-CB 4.47Å; V459-F465 HydrophobicContact CG1-CB 4.44Å; V459-F465 HydrophobicContact CG1-CD2 3.94Å; V459-F465 HydrophobicContact CG1-CG 4.26Å; V459-F465 HydrophobicContact CG2-CB 4.29Å; V459-F465 HydrophobicContact CG2-CG 4.5Å; S461-F465 PolarHBondContact O-N 3.2Å; S461-F465 VanDerWaalsContact O-N 3.1Å; L462-F465 PolarHBondContact O-N 2.88Å; F465-W468 HydrophobicContact CD2-CE3 4.2Å; F465-W468 HydrophobicContact CD2-CZ3 4.42Å; F465-W468 HydrophobicContact CE2-CE3 4.13Å; F465-W468 AromaticContact CE2-CZ3 3.94Å; F465-W468 HydrophobicContact CE2-CZ3 3.94Å; F465-W468 PolarHBondContact O-N 3.47Å; F465-I469 HydrophobicContact CE1-CD1 4.49Å; F465-I469 HydrophobicContact CZ-CD1 4.32Å; F465-I469 PolarHBondContact O-N 3.14Å; F465-F483 VanDerWaalsContact CA-CE2 3.48Å; F465-F483 HydrophobicContact CB-CE2 4.08Å; F465-F483 HydrophobicContact CB-CZ 4.08Å; F465-F483 HydrophobicContact CD2-CD1 4.35Å; F465-F483 AromaticContact CD2-CD2 3.82Å; F465-F483 HydrophobicContact CD2-CD2 3.82Å; F465-F483 HydrophobicContact CD2-CE2 4.1Å; F465-F483 AromaticContact CD2-CG 3.97Å; F465-F483 HydrophobicContact CD2-CG 3.97Å; F465-F483 HydrophobicContact CD2-CZ 4.45Å |
| 466 | V | 94.6 | Very high | 92 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.7 | -38.3 | -179.1 | 174.6 | 0 | 0 | 0 | 0 | 112 | L462 S463 I469 Q470 I513 E516 I517 | L462-V466 HydrophobicContact CD1-CG2 3.89Å; L462-V466 HydrophobicContact CG-CG2 4.21Å; L462-V466 WeakPolarHBondContact O-CB 3.31Å; L462-V466 WeakPolarHBondContact O-CG2 3.45Å; L462-V466 PolarHBondContact O-N 2.99Å; S463-V466 PolarHBondContact O-N 2.96Å; V466-I469 WeakPolarHBondContact O-CG2 3.49Å; V466-Q470 WeakPolarHBondContact O-CB 3.26Å; V466-Q470 VanDerWaalsContact O-CG 3.24Å; V466-Q470 WeakPolarHBondContact O-CG 3.45Å; V466-Q470 PolarHBondContact O-N 3.22Å; V466-Q470 PolarHBondContact O-NE2 3.44Å; V466-Q470 VanDerWaalsContact O-NE2 3.15Å; V466-I513 HydrophobicContact CG2-CD1 3.25Å; V466-E516 HydrophobicContact CB-CB 4.19Å; V466-E516 HydrophobicContact CG1-CB 3.67Å; V466-I517 HydrophobicContact CG1-CG2 4.02Å |
| 467 | K | 93.1 | Very high | 91.5 | Very high | 117 Ų | 117 | 46.1 Ų | 46.1 | 51% | 0.509 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.7 | -42.2 | 173.7 | -74.6 | 173.7 | -177.2 | 165 | 0 | 111.8 | S463 A464 N471 E516 | S463-K467 WeakPolarHBondContact O-CB 3.37Å; S463-K467 WeakPolarHBondContact O-CG 3.23Å; S463-K467 PolarHBondContact O-N 3.25Å; A464-K467 PolarHBondContact O-N 3.39Å; K467-N471 PolarHBondContact O-N 3.41Å; K467-N471 PolarHBondContact O-ND2 2.77Å; K467-E516 WeakPolarHBondContact CE-OE2 3.46Å; K467-E516 IonicContact NZ-OE2 2.82Å; K467-E516 PolarHBondContact NZ-OE2 2.95Å |
| 468 | W | 93.7 | Very high | 90.9 | Very high | 26 Ų | 26 | 48.3 Ų | 48.3 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -52 | 178.8 | 174.1 | 80.2 | 0 | 0 | 0 | 111.7 | A464 F465 Q470 N471 L472 L480 F483 P484 C485 | A464-W468 VanDerWaalsContact O-CB 3.27Å; A464-W468 WeakPolarHBondContact O-CB 3.5Å; A464-W468 PolarHBondContact O-N 3.01Å; F465-W468 HydrophobicContact CD2-CE3 4.2Å; F465-W468 HydrophobicContact CD2-CZ3 4.42Å; F465-W468 HydrophobicContact CE2-CE3 4.13Å; F465-W468 AromaticContact CE2-CZ3 3.94Å; F465-W468 HydrophobicContact CE2-CZ3 3.94Å; F465-W468 PolarHBondContact O-N 3.47Å; W468-Q470 VanDerWaalsContact C-N 3.27Å; W468-Q470 PolarHBondContact O-N 3.05Å; W468-N471 PolarHBondContact O-N 2.92Å; W468-L472 HydrophobicContact CD2-CD1 4.4Å; W468-L472 HydrophobicContact CE3-CD1 4.23Å; W468-L472 HydrophobicContact CH2-CD1 3.84Å; W468-L472 HydrophobicContact CZ2-CD1 3.99Å; W468-L472 HydrophobicContact CZ2-CD2 4.23Å; W468-L472 HydrophobicContact CZ3-CD1 3.95Å; W468-L480 HydrophobicContact CH2-CD2 4.06Å; W468-L480 HydrophobicContact CZ3-CD2 3.81Å; W468-F483 HydrophobicContact CB-CD2 4.03Å; W468-F483 HydrophobicContact CB-CE2 3.92Å; W468-F483 HydrophobicContact CD2-CB 4.45Å; W468-F483 AromaticContact CD2-CD2 3.56Å; W468-F483 HydrophobicContact CD2-CD2 3.56Å; W468-F483 HydrophobicContact CD2-CE2 4.35Å; W468-F483 HydrophobicContact CD2-CG 4.49Å; W468-F483 HydrophobicContact CE3-CB 4.18Å; W468-F483 AromaticContact CE3-CD2 3.55Å; W468-F483 HydrophobicContact CE3-CD2 3.55Å; W468-F483 HydrophobicContact CE3-CE2 4.45Å; W468-F483 HydrophobicContact CE3-CG 4.29Å; W468-F483 AromaticContact CG-CD2 3.78Å; W468-F483 HydrophobicContact CG-CD2 3.78Å; W468-F483 HydrophobicContact CG-CE2 4.14Å; W468-F483 HydrophobicContact CH2-CB 3.83Å; W468-F483 HydrophobicContact CZ2-CB 4.15Å; W468-F483 HydrophobicContact CZ3-CB 3.86Å; W468-F483 HydrophobicContact CZ3-CD2 4.12Å; W468-F483 HydrophobicContact CZ3-CG 4.43Å; W468-P484 VanDerWaalsContact CD1-O 3.3Å; W468-P484 PolarHBondContact NE1-O 3.28Å; W468-C485 WeakPolarHBondContact CZ2-O 3.44Å; W468-C485 PolarHBondContact NE1-O 3.08Å |
| 469 | I | 93.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -34.6 | -177.6 | -161.3 | 171.8 | 0 | 0 | 0 | 112.1 | I345 I381 F465 V466 N471 L472 F475 L480 | I345-I469 HydrophobicContact CD1-CB 4.44Å; I345-I469 HydrophobicContact CD1-CG1 4.04Å; I345-I469 HydrophobicContact CD1-CG2 3.98Å; I381-I469 HydrophobicContact CD1-CD1 3.4Å; F465-I469 HydrophobicContact CE1-CD1 4.49Å; F465-I469 HydrophobicContact CZ-CD1 4.32Å; F465-I469 PolarHBondContact O-N 3.14Å; V466-I469 WeakPolarHBondContact O-CG2 3.49Å; I469-N471 PolarHBondContact O-N 2.98Å; I469-L472 HydrophobicContact CG1-CD1 4.3Å; I469-L472 WeakPolarHBondContact O-CB 3.34Å; I469-L472 PolarHBondContact O-N 3.3Å; I469-L472 VanDerWaalsContact O-N 3.17Å; I469-F475 HydrophobicContact CD1-CE1 4.4Å; I469-F475 HydrophobicContact CG1-CD1 4.33Å; I469-F475 HydrophobicContact CG1-CE1 3.7Å; I469-L480 HydrophobicContact CD1-CD2 4.19Å; I469-L480 HydrophobicContact CG1-CD2 4.49Å |
| 470 | Q | 91.8 | Very high | 89.9 | Confident | 32 Ų | 32 | 45.7 Ų | 45.7 | 15% | 0.15 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -13.7 | 176.1 | -77.7 | -176.1 | 85.9 | 0 | 0 | 114.7 | K343 I345 Y347 V466 W468 E516 | K343-Q470 PolarHBondContact NZ-O 3.17Å; I345-Q470 HydrophobicContact CD1-CG 4.22Å; Y347-Q470 WeakPolarHBondContact OH-CG 3.36Å; V466-Q470 WeakPolarHBondContact O-CB 3.26Å; V466-Q470 VanDerWaalsContact O-CG 3.24Å; V466-Q470 WeakPolarHBondContact O-CG 3.45Å; V466-Q470 PolarHBondContact O-N 3.22Å; V466-Q470 PolarHBondContact O-NE2 3.44Å; V466-Q470 VanDerWaalsContact O-NE2 3.15Å; W468-Q470 VanDerWaalsContact C-N 3.27Å; W468-Q470 PolarHBondContact O-N 3.05Å; Q470-E516 PolarHBondContact NE2-O 3.33Å |
| 471 | N | 90.3 | Very high | 89.7 | Confident | 102 Ų | 102 | 42.1 Ų | 42.1 | 55% | 0.545 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -14.4 | 175.5 | -70 | -27.7 | 0 | 0 | 0 | 112.7 | K467 W468 I469 | K467-N471 PolarHBondContact O-N 3.41Å; K467-N471 PolarHBondContact O-ND2 2.77Å; W468-N471 PolarHBondContact O-N 2.92Å; I469-N471 PolarHBondContact O-N 2.98Å |
| 472 | L | 88.6 | Confident | 89.2 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | trans | -71.6 | 132.3 | 178.8 | -60.3 | -179.1 | 0 | 0 | 0 | 111.6 | N344 W468 I469 F475 L480 | N344-L472 PolarHBondContact ND2-O 2.98Å; N344-L472 VanDerWaalsContact ND2-O 3.13Å; W468-L472 HydrophobicContact CD2-CD1 4.4Å; W468-L472 HydrophobicContact CE3-CD1 4.23Å; W468-L472 HydrophobicContact CH2-CD1 3.84Å; W468-L472 HydrophobicContact CZ2-CD1 3.99Å; W468-L472 HydrophobicContact CZ2-CD2 4.23Å; W468-L472 HydrophobicContact CZ3-CD1 3.95Å; I469-L472 HydrophobicContact CG1-CD1 4.3Å; I469-L472 WeakPolarHBondContact O-CB 3.34Å; I469-L472 PolarHBondContact O-N 3.3Å; I469-L472 VanDerWaalsContact O-N 3.17Å; L472-F475 HydrophobicContact CB-CD1 4.22Å; L472-F475 HydrophobicContact CB-CE1 3.74Å; L472-F475 HydrophobicContact CB-CZ 4.33Å; L472-F475 HydrophobicContact CD1-CD1 4.1Å; L472-F475 HydrophobicContact CD1-CE1 4.12Å; L472-L480 HydrophobicContact CD1-CD2 4.29Å | ||
| 473 | Q | 86.3 | Confident | 88.7 | Confident | 138 Ų | 138 | 47.8 Ų | 47.8 | 65% | 0.645 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -89.5 | -26.6 | 174.1 | -63.5 | -61.4 | -42.7 | 0 | 0 | 112.6 | ||
| 474 | R | 87.7 | Confident | 88.1 | Confident | 96 Ų | 96 | 51.6 Ų | 51.6 | 36% | 0.362 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -133.8 | 139.5 | -177.4 | -63.5 | 179.8 | -178.3 | -177.1 | -1.2 | 109.1 | Y490 Y495 | R474-Y490 HydrophobicContact CB-CD1 4.44Å; R474-Y490 HydrophobicContact CB-CE1 4.01Å; R474-Y495 HydrophobicContact CB-CD2 4.06Å; R474-Y495 HydrophobicContact CB-CG 4.43Å; R474-Y495 HydrophobicContact CG-CD2 3.77Å; R474-Y495 HydrophobicContact CG-CE2 4.1Å; R474-Y495 HydrophobicContact CG-CG 4.44Å |
| 475 | F | 88.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -116.6 | 133.1 | 178.5 | -52.2 | -80.1 | 0 | 0 | 0 | 109.4 | N344 I345 I379 I469 L472 Y495 T496 T497 C499 | N344-F475 HydrophobicContact CB-CE2 4.45Å; N344-F475 WeakPolarHBondContact ND2-CE2 3.44Å; N344-F475 WeakPolarHBondContact ND2-CZ 3.21Å; I345-F475 HydrophobicContact CD1-CE1 4.41Å; I345-F475 HydrophobicContact CD1-CZ 4.08Å; I345-F475 HydrophobicContact CG1-CZ 3.82Å; I379-F475 HydrophobicContact CB-CB 4.15Å; I379-F475 HydrophobicContact CG1-CB 4.01Å; I469-F475 HydrophobicContact CD1-CE1 4.4Å; I469-F475 HydrophobicContact CG1-CD1 4.33Å; I469-F475 HydrophobicContact CG1-CE1 3.7Å; L472-F475 HydrophobicContact CB-CD1 4.22Å; L472-F475 HydrophobicContact CB-CE1 3.74Å; L472-F475 HydrophobicContact CB-CZ 4.33Å; L472-F475 HydrophobicContact CD1-CD1 4.1Å; L472-F475 HydrophobicContact CD1-CE1 4.12Å; F475-Y495 WeakPolarHBondContact O-CA 3.18Å; F475-T496 HydrophobicContact CB-CG2 4.09Å; F475-T496 PolarHBondContact N-O 3.36Å; F475-T496 PolarHBondContact O-N 2.99Å; F475-T497 WeakPolarHBondContact CE2-O 3.32Å; F475-C499 HydrophobicContact CD1-CB 3.96Å; F475-C499 HydrophobicContact CD2-CB 3.74Å; F475-C499 HydrophobicContact CE1-CB 3.87Å; F475-C499 HydrophobicContact CE2-CB 3.61Å; F475-C499 HydrophobicContact CG-CB 3.9Å; F475-C499 HydrophobicContact CZ-CB 3.71Å |
| 476 | S | 87.4 | Confident | 86.3 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | trans | -142.3 | 159.6 | 163.4 | 69.3 | 0 | 0 | 0 | 0 | 107.6 | Q478 A479 L480 D494 | S476-Q478 VanDerWaalsContact C-N 3.28Å; S476-Q478 PolarHBondContact O-N 3Å; S476-A479 PolarHBondContact O-N 3Å; S476-A479 VanDerWaalsContact OG-CB 3.32Å; S476-A479 WeakPolarHBondContact OG-CB 3.34Å; S476-A479 PolarHBondContact OG-N 3Å; S476-L480 WeakPolarHBondContact O-CG 3.35Å; S476-L480 PolarHBondContact O-N 3.47Å; S476-L480 VanDerWaalsContact O-N 3.08Å; S476-D494 WeakPolarHBondContact CB-O 3.38Å | ||
| 477 | L | 83.5 | Confident | 85.2 | Confident | 64 Ų | 64 | 61.8 Ų | 61.8 | 34% | 0.335 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 178.1 | -174 | 61.8 | 0 | 0 | 0 | 111.2 | D407 L408 A455 A479 L480 E481 | D407-L477 VanDerWaalsContact O-CD1 3.24Å; D407-L477 WeakPolarHBondContact O-CD1 3.42Å; L408-L477 HydrophobicContact CB-CD1 4.35Å; A455-L477 HydrophobicContact CB-CD1 3.77Å; A455-L477 HydrophobicContact CB-CD2 4.27Å; A455-L477 HydrophobicContact CB-CG 4.36Å; L477-A479 PolarHBondContact O-N 3.26Å; L477-L480 WeakPolarHBondContact O-CB 3.45Å; L477-L480 PolarHBondContact O-N 2.84Å; L477-L480 VanDerWaalsContact O-N 3.14Å; L477-E481 PolarHBondContact O-N 3.35Å |
| 478 | Q | 82 | Confident | 84.1 | Confident | 90 Ų | 90 | 61.1 Ų | 61.1 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.4 | -47.2 | 174.5 | -76 | 166.2 | -1.7 | 0 | 0 | 111.3 | S476 L480 E481 Y482 Y487 | S476-Q478 VanDerWaalsContact C-N 3.28Å; S476-Q478 PolarHBondContact O-N 3Å; Q478-L480 PolarHBondContact O-N 3.44Å; Q478-E481 WeakPolarHBondContact O-CB 3.3Å; Q478-E481 PolarHBondContact O-N 2.84Å; Q478-Y482 WeakPolarHBondContact O-CD2 3.41Å; Q478-Y487 HydrophobicContact CB-CE1 4.28Å |
| 479 | A | 82.8 | Confident | 83 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.3 | -35.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | S476 L477 E481 Y482 Y487 Y490 | S476-A479 PolarHBondContact O-N 3Å; S476-A479 VanDerWaalsContact OG-CB 3.32Å; S476-A479 WeakPolarHBondContact OG-CB 3.34Å; S476-A479 PolarHBondContact OG-N 3Å; L477-A479 PolarHBondContact O-N 3.26Å; A479-E481 VanDerWaalsContact C-N 3.28Å; A479-E481 PolarHBondContact O-N 2.93Å; A479-Y482 PolarHBondContact O-N 3.28Å; A479-Y487 HydrophobicContact CB-CD1 4.13Å; A479-Y487 HydrophobicContact CB-CG 4.3Å; A479-Y490 HydrophobicContact CB-CE1 3.95Å |
| 480 | L | 85.6 | Confident | 81.6 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.5 | -24.2 | 177 | -66.5 | 176 | 0 | 0 | 0 | 113.7 | I379 I381 L408 K457 W468 I469 L472 S476 L477 Q478 Y482 | I379-L480 HydrophobicContact CG2-CD1 3.58Å; I381-L480 HydrophobicContact CD1-CD1 3.65Å; I381-L480 HydrophobicContact CD1-CD2 4.23Å; I381-L480 HydrophobicContact CG1-CD1 4.15Å; L408-L480 HydrophobicContact CD2-CB 3.92Å; L408-L480 HydrophobicContact CD2-CD1 3.88Å; L408-L480 HydrophobicContact CD2-CG 4.44Å; K457-L480 WeakPolarHBondContact CE-O 3.12Å; W468-L480 HydrophobicContact CH2-CD2 4.06Å; W468-L480 HydrophobicContact CZ3-CD2 3.81Å; I469-L480 HydrophobicContact CD1-CD2 4.19Å; I469-L480 HydrophobicContact CG1-CD2 4.49Å; L472-L480 HydrophobicContact CD1-CD2 4.29Å; S476-L480 WeakPolarHBondContact O-CG 3.35Å; S476-L480 PolarHBondContact O-N 3.47Å; S476-L480 VanDerWaalsContact O-N 3.08Å; L477-L480 WeakPolarHBondContact O-CB 3.45Å; L477-L480 PolarHBondContact O-N 2.84Å; L477-L480 VanDerWaalsContact O-N 3.14Å; Q478-L480 PolarHBondContact O-N 3.44Å; L480-Y482 VanDerWaalsContact C-N 3.3Å; L480-Y482 PolarHBondContact O-N 3.25Å |
| 481 | E | 83.6 | Confident | 80.4 | Confident | 106 Ų | 106 | 72.8 Ų | 72.8 | 50% | 0.495 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70.9 | -24.2 | 175.5 | -67.5 | -179.1 | 160.9 | 0 | 0 | 113 | K457 L477 Q478 A479 F483 | K457-E481 PolarHBondContact NZ-O 2.99Å; L477-E481 PolarHBondContact O-N 3.35Å; Q478-E481 WeakPolarHBondContact O-CB 3.3Å; Q478-E481 PolarHBondContact O-N 2.84Å; A479-E481 VanDerWaalsContact C-N 3.28Å; A479-E481 PolarHBondContact O-N 2.93Å; E481-F483 VanDerWaalsContact C-N 3.35Å; E481-F483 PolarHBondContact O-N 3.46Å |
| 482 | Y | 83.3 | Confident | 79 | Confident | 119 Ų | 119 | 75.1 Ų | 75.1 | 47% | 0.467 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -2.1 | -175.8 | -77.4 | -100.7 | 0 | 0 | 0 | 114.9 | Q478 A479 L480 C485 Y487 | Q478-Y482 WeakPolarHBondContact O-CD2 3.41Å; A479-Y482 PolarHBondContact O-N 3.28Å; L480-Y482 VanDerWaalsContact C-N 3.3Å; L480-Y482 PolarHBondContact O-N 3.25Å; Y482-C485 WeakPolarHBondContact O-CA 3.05Å; Y482-C485 WeakPolarHBondContact O-CB 3.34Å; Y482-C485 PolarHBondContact O-N 2.99Å; Y482-Y487 HydrophobicContact CD1-CD2 4.17Å; Y482-Y487 AromaticContact CD2-CD2 3.36Å; Y482-Y487 HydrophobicContact CD2-CD2 3.36Å; Y482-Y487 AromaticContact CD2-CE2 3.97Å; Y482-Y487 HydrophobicContact CD2-CE2 3.97Å; Y482-Y487 HydrophobicContact CD2-CG 4.07Å; Y482-Y487 HydrophobicContact CE1-CD2 4.03Å; Y482-Y487 HydrophobicContact CE1-CE2 4.35Å; Y482-Y487 AromaticContact CE2-CD2 3.22Å; Y482-Y487 HydrophobicContact CE2-CD2 3.22Å; Y482-Y487 AromaticContact CE2-CE2 3.33Å; Y482-Y487 HydrophobicContact CE2-CE2 3.33Å; Y482-Y487 HydrophobicContact CE2-CG 4.27Å; Y482-Y487 AromaticContact CG-CD2 3.86Å; Y482-Y487 HydrophobicContact CG-CD2 3.86Å; Y482-Y487 AromaticContact CZ-CD2 3.58Å; Y482-Y487 AromaticContact CZ-CE2 3.54Å |
| 483 | F | 83.4 | Confident | 78 | Confident | 38 Ų | 38 | 79.2 Ų | 79.2 | 17% | 0.167 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45 | 129 | 176.4 | 171.4 | -99.6 | 0 | 0 | 0 | 111.7 | K457 V459 A464 F465 W468 E481 | K457-F483 HydrophobicContact CD-CB 4.48Å; V459-F483 HydrophobicContact CB-CE1 4.37Å; V459-F483 HydrophobicContact CG1-CD1 4.1Å; V459-F483 HydrophobicContact CG1-CE1 4.07Å; A464-F483 HydrophobicContact CB-CZ 4.19Å; F465-F483 VanDerWaalsContact CA-CE2 3.48Å; F465-F483 HydrophobicContact CB-CE2 4.08Å; F465-F483 HydrophobicContact CB-CZ 4.08Å; F465-F483 HydrophobicContact CD2-CD1 4.35Å; F465-F483 AromaticContact CD2-CD2 3.82Å; F465-F483 HydrophobicContact CD2-CD2 3.82Å; F465-F483 HydrophobicContact CD2-CE2 4.1Å; F465-F483 AromaticContact CD2-CG 3.97Å; F465-F483 HydrophobicContact CD2-CG 3.97Å; F465-F483 HydrophobicContact CD2-CZ 4.45Å; W468-F483 HydrophobicContact CB-CD2 4.03Å; W468-F483 HydrophobicContact CB-CE2 3.92Å; W468-F483 HydrophobicContact CD2-CB 4.45Å; W468-F483 AromaticContact CD2-CD2 3.56Å; W468-F483 HydrophobicContact CD2-CD2 3.56Å; W468-F483 HydrophobicContact CD2-CE2 4.35Å; W468-F483 HydrophobicContact CD2-CG 4.49Å; W468-F483 HydrophobicContact CE3-CB 4.18Å; W468-F483 AromaticContact CE3-CD2 3.55Å; W468-F483 HydrophobicContact CE3-CD2 3.55Å; W468-F483 HydrophobicContact CE3-CE2 4.45Å; W468-F483 HydrophobicContact CE3-CG 4.29Å; W468-F483 AromaticContact CG-CD2 3.78Å; W468-F483 HydrophobicContact CG-CD2 3.78Å; W468-F483 HydrophobicContact CG-CE2 4.14Å; W468-F483 HydrophobicContact CH2-CB 3.83Å; W468-F483 HydrophobicContact CZ2-CB 4.15Å; W468-F483 HydrophobicContact CZ3-CB 3.86Å; W468-F483 HydrophobicContact CZ3-CD2 4.12Å; W468-F483 HydrophobicContact CZ3-CG 4.43Å; E481-F483 VanDerWaalsContact C-N 3.35Å; E481-F483 PolarHBondContact O-N 3.46Å |
| 484 | P | 81.5 | Confident | 77.4 | Confident | 92 Ų | 92 | 77.7 Ų | 77.7 | 60% | 0.597 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -92.9 | 8.5 | 7.2 | 37.7 | -36.7 | 0 | 0 | 0 | 116 | W468 | W468-P484 VanDerWaalsContact CD1-O 3.3Å; W468-P484 PolarHBondContact NE1-O 3.28Å |
| 485 | C | 80.5 | Confident | 76.9 | Confident | 78 Ų | 78 | 75.6 Ų | 75.6 | 53% | 0.527 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -81.4 | 153 | 179.8 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | W468 Y482 | W468-C485 WeakPolarHBondContact CZ2-O 3.44Å; W468-C485 PolarHBondContact NE1-O 3.08Å; Y482-C485 WeakPolarHBondContact O-CA 3.05Å; Y482-C485 WeakPolarHBondContact O-CB 3.34Å; Y482-C485 PolarHBondContact O-N 2.99Å |
| 486 | E | 71.4 | Confident | 76.8 | Confident | 149 Ų | 149 | 76.2 Ų | 76.2 | 70% | 0.696 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 139.3 | 167.5 | -72.7 | -173.1 | 172.3 | 0 | 0 | 110.6 | ||
| 487 | Y | 71.3 | Confident | 76.8 | Confident | 34 Ų | 34 | 78 Ų | 78 | 13% | 0.133 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 117.5 | 174 | -175.2 | -114.8 | 0 | 0 | 0 | 109.2 | Q478 A479 Y482 N489 Y490 | Q478-Y487 HydrophobicContact CB-CE1 4.28Å; A479-Y487 HydrophobicContact CB-CD1 4.13Å; A479-Y487 HydrophobicContact CB-CG 4.3Å; Y482-Y487 HydrophobicContact CD1-CD2 4.17Å; Y482-Y487 AromaticContact CD2-CD2 3.36Å; Y482-Y487 HydrophobicContact CD2-CD2 3.36Å; Y482-Y487 AromaticContact CD2-CE2 3.97Å; Y482-Y487 HydrophobicContact CD2-CE2 3.97Å; Y482-Y487 HydrophobicContact CD2-CG 4.07Å; Y482-Y487 HydrophobicContact CE1-CD2 4.03Å; Y482-Y487 HydrophobicContact CE1-CE2 4.35Å; Y482-Y487 AromaticContact CE2-CD2 3.22Å; Y482-Y487 HydrophobicContact CE2-CD2 3.22Å; Y482-Y487 AromaticContact CE2-CE2 3.33Å; Y482-Y487 HydrophobicContact CE2-CE2 3.33Å; Y482-Y487 HydrophobicContact CE2-CG 4.27Å; Y482-Y487 AromaticContact CG-CD2 3.86Å; Y482-Y487 HydrophobicContact CG-CD2 3.86Å; Y482-Y487 AromaticContact CZ-CD2 3.58Å; Y482-Y487 AromaticContact CZ-CE2 3.54Å; Y487-N489 HydrophobicContact CE1-CB 4.29Å; Y487-N489 WeakPolarHBondContact CE1-O 3.37Å; Y487-N489 HydrophobicContact CE2-CB 4.35Å; Y487-N489 PolarHBondContact OH-O 3.39Å; Y487-Y490 HydrophobicContact CD1-CD1 4.35Å; Y487-Y490 HydrophobicContact CD1-CE1 4.3Å; Y487-Y490 WeakPolarHBondContact O-CE2 3.34Å; Y487-Y490 VanDerWaalsContact O-CZ 3.24Å; Y487-Y490 PolarHBondContact O-OH 3.17Å |
| 488 | S | 69.1 | Low | 77.1 | Confident | 103 Ų | 103 | 80 Ų | 80 | 72% | 0.72 | 42% | 0.42 | S | S | * | . | trans | -89.5 | -16.6 | -174.9 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | Y490 | S488-Y490 PolarHBondContact O-N 3.46Š| ||
| 489 | N | 71.5 | Confident | 77.7 | Confident | 115 Ų | 115 | 75.7 Ų | 75.7 | 62% | 0.615 | 40% | 0.4 | S | S | * | . | trans | -101.9 | 64.1 | -169.5 | -69.5 | -5.7 | 0 | 0 | 0 | 111.8 | Y487 D491 | Y487-N489 HydrophobicContact CE1-CB 4.29Å; Y487-N489 WeakPolarHBondContact CE1-O 3.37Å; Y487-N489 HydrophobicContact CE2-CB 4.35Å; Y487-N489 PolarHBondContact OH-O 3.39Å; N489-D491 PolarHBondContact O-N 3.27Å | ||
| 490 | Y | 64.5 | Low | 78.3 | Confident | 68 Ų | 68 | 75.9 Ų | 75.9 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | trans | -75.4 | 118.2 | 175.5 | -64 | -81.2 | 0 | 0 | 0 | 110.9 | R474 A479 Y487 S488 | R474-Y490 HydrophobicContact CB-CD1 4.44Å; R474-Y490 HydrophobicContact CB-CE1 4.01Å; A479-Y490 HydrophobicContact CB-CE1 3.95Å; Y487-Y490 HydrophobicContact CD1-CD1 4.35Å; Y487-Y490 HydrophobicContact CD1-CE1 4.3Å; Y487-Y490 WeakPolarHBondContact O-CE2 3.34Å; Y487-Y490 VanDerWaalsContact O-CZ 3.24Å; Y487-Y490 PolarHBondContact O-OH 3.17Å; S488-Y490 PolarHBondContact O-N 3.46Å | ||
| 491 | D | 66.4 | Low | 78.9 | Confident | 123 Ų | 123 | 76 Ų | 76 | 66% | 0.658 | 40% | 0.401 | S | S | * | . | trans | -77.1 | 138 | 161.1 | -137.4 | -23.7 | 0 | 0 | 0 | 109.3 | N489 A493 D494 | N489-D491 PolarHBondContact O-N 3.27Å; D491-A493 PolarHBondContact O-N 3.49Å; D491-A493 VanDerWaalsContact O-N 3.13Å; D491-D494 PolarHBondContact O-N 3.16Å | ||
| 492 | E | 61.3 | Low | 79.6 | Confident | 151 Ų | 151 | 70.9 Ų | 70.9 | 71% | 0.706 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21.3 | -167.3 | -86.4 | -160.9 | 156.7 | 0 | 0 | 114 | Y495 | E492-Y495 HydrophobicContact CB-CE1 4.27Å; E492-Y495 HydrophobicContact CG-CE1 4.3Å; E492-Y495 WeakPolarHBondContact O-CD1 3.14Å; E492-Y495 WeakPolarHBondContact O-CE1 3.23Å |
| 493 | A | 66.7 | Low | 80.3 | Confident | 91 Ų | 91 | 65.2 Ų | 65.2 | 75% | 0.752 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -20.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D491 | D491-A493 PolarHBondContact O-N 3.49Å; D491-A493 VanDerWaalsContact O-N 3.13Å |
| 494 | D | 73.1 | Confident | 80.9 | Confident | 105 Ų | 105 | 63.4 Ų | 63.4 | 56% | 0.561 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -107.8 | 5.2 | -164.8 | -75.8 | -17.9 | 0 | 0 | 0 | 114.6 | S476 D491 | S476-D494 WeakPolarHBondContact CB-O 3.38Å; D491-D494 PolarHBondContact O-N 3.16Å |
| 495 | Y | 78.3 | Confident | 81.5 | Confident | 53 Ų | 53 | 59.3 Ų | 59.3 | 21% | 0.208 | 32% | 0.322 | C | S | . | . | trans | -107.3 | 148.1 | -179.5 | 77.1 | -91.4 | 0 | 0 | 0 | 113 | R474 F475 E492 | R474-Y495 HydrophobicContact CB-CD2 4.06Å; R474-Y495 HydrophobicContact CB-CG 4.43Å; R474-Y495 HydrophobicContact CG-CD2 3.77Å; R474-Y495 HydrophobicContact CG-CE2 4.1Å; R474-Y495 HydrophobicContact CG-CG 4.44Å; F475-Y495 WeakPolarHBondContact O-CA 3.18Å; E492-Y495 HydrophobicContact CB-CE1 4.27Å; E492-Y495 HydrophobicContact CG-CE1 4.3Å; E492-Y495 WeakPolarHBondContact O-CD1 3.14Å; E492-Y495 WeakPolarHBondContact O-CE1 3.23Å | ||
| 496 | T | 85.4 | Confident | 82.1 | Confident | 12 Ų | 12 | 56 Ų | 56 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -119.4 | 156 | 166.4 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | R377 I379 F475 F498 | R377-T496 WeakPolarHBondContact O-CB 3.07Å; R377-T496 PolarHBondContact O-OG1 3.03Å; I379-T496 HydrophobicContact CB-CG2 4.12Å; I379-T496 HydrophobicContact CG1-CG2 3.57Å; F475-T496 HydrophobicContact CB-CG2 4.09Å; F475-T496 PolarHBondContact N-O 3.36Å; F475-T496 PolarHBondContact O-N 2.99Å; T496-F498 WeakPolarHBondContact CG2-O 3.32Å; T496-F498 PolarHBondContact OG1-N 3.47Å |
| 497 | T | 86.8 | Confident | 83 | Confident | 43 Ų | 43 | 50.2 Ų | 50.2 | 26% | 0.264 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -89.5 | -9.3 | 176 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | N344 F475 | N344-T497 VanDerWaalsContact CB-O 3.24Å; N344-T497 WeakPolarHBondContact CB-O 3.39Å; N344-T497 PolarHBondContact ND2-O 3.32Å; F475-T497 WeakPolarHBondContact CE2-O 3.32Å |
| 498 | F | 91.4 | Very high | 84 | Confident | 106 Ų | 106 | 51.6 Ų | 51.6 | 47% | 0.465 | 28% | 0.279 | S | S | . | . | trans | -118.1 | 140.9 | -173 | -59.3 | -75.9 | 0 | 0 | 0 | 112.2 | N344 P378 I379 T496 | N344-F498 WeakPolarHBondContact O-CA 3.36Å; P378-F498 VanDerWaalsContact CA-O 3.29Å; P378-F498 WeakPolarHBondContact CA-O 3.44Å; P378-F498 HydrophobicContact CB-CB 3.96Å; P378-F498 WeakPolarHBondContact CB-O 3.23Å; I379-F498 PolarHBondContact N-O 2.96Å; T496-F498 WeakPolarHBondContact CG2-O 3.32Å; T496-F498 PolarHBondContact OG1-N 3.47Å | ||
| 499 | C | 94 | Very high | 85.2 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 133.6 | 173.8 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | N344 I345 T346 I379 I381 F475 | N344-C499 PolarHBondContact O-N 3.09Å; I345-C499 CarbonylContact C-O 3.01Å; I345-C499 VanDerWaalsContact CA-O 3.26Å; I345-C499 WeakPolarHBondContact CA-O 3.3Å; I345-C499 HydrophobicContact CG1-CB 4.27Å; I345-C499 HydrophobicContact CG2-CB 4.38Å; T346-C499 PolarHBondContact N-O 2.56Å; I379-C499 WeakPolarHBondContact O-CA 3.44Å; I379-C499 PolarHBondContact O-SG 3.35Å; I381-C499 VanDerWaalsContact CD1-SG 3.6Å; F475-C499 HydrophobicContact CD1-CB 3.96Å; F475-C499 HydrophobicContact CD2-CB 3.74Å; F475-C499 HydrophobicContact CE1-CB 3.87Å; F475-C499 HydrophobicContact CE2-CB 3.61Å; F475-C499 HydrophobicContact CG-CB 3.9Å; F475-C499 HydrophobicContact CZ-CB 3.71Å |
| 500 | D | 95.8 | Very high | 86.4 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.3 | 173.6 | -81.3 | -0.9 | 0 | 0 | 0 | 108.7 | T346 Y348 F365 S369 P378 I379 R380 I381 | T346-D500 VanDerWaalsContact CB-OD1 3.31Å; T346-D500 WeakPolarHBondContact CB-OD1 3.23Å; T346-D500 CarbonylContact O-C 3.57Å; T346-D500 WeakPolarHBondContact O-CA 3.19Å; T346-D500 PolarHBondContact OG1-OD1 3.48Å; Y348-D500 HydrophobicContact CE2-CB 3.82Å; Y348-D500 PolarHBondContact OH-OD2 3.13Å; F365-D500 HydrophobicContact CE2-CB 4.06Å; F365-D500 HydrophobicContact CZ-CB 4.12Å; S369-D500 WeakPolarHBondContact CA-OD2 3.39Å; S369-D500 WeakPolarHBondContact CB-OD2 3.24Å; S369-D500 PolarHBondContact OG-OD2 3.33Å; P378-D500 HydrophobicContact CB-CB 4.33Å; P378-D500 HydrophobicContact CG-CB 4.31Å; I379-D500 PolarHBondContact O-N 3.26Å; R380-D500 CarbonylContact C-O 3.59Å; R380-D500 WeakPolarHBondContact CA-O 3.22Å; R380-D500 HydrophobicContact CG-CB 4.27Å; I381-D500 PolarHBondContact N-O 3.16Å |
| 501 | V | 97.4 | Very high | 87.8 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 110.8 | -173.7 | -174.7 | 0 | 0 | 0 | 0 | 110 | I345 T346 Y347 Y348 I381 I383 V503 | I345-V501 HydrophobicContact CG2-CG2 3.68Å; T346-V501 PolarHBondContact O-N 2.74Å; Y347-V501 CarbonylContact C-O 3.47Å; Y347-V501 WeakPolarHBondContact CA-O 3.41Å; Y347-V501 HydrophobicContact CD1-CB 3.93Å; Y347-V501 HydrophobicContact CD1-CG1 4.18Å; Y347-V501 HydrophobicContact CD1-CG2 4.49Å; Y347-V501 HydrophobicContact CE1-CB 4.22Å; Y347-V501 HydrophobicContact CE1-CG1 4.34Å; Y347-V501 HydrophobicContact CE1-CG2 4.34Å; Y348-V501 PolarHBondContact N-O 3.39Å; I381-V501 HydrophobicContact CB-CG1 4.5Å; I381-V501 HydrophobicContact CB-CG2 4.34Å; I381-V501 CarbonylContact O-C 3.59Å; I381-V501 WeakPolarHBondContact O-CA 3.39Å; I383-V501 HydrophobicContact CD1-CG1 3.69Å; I383-V501 HydrophobicContact CG1-CG1 3.87Å; V501-V503 HydrophobicContact CG1-CG2 3.94Å |
| 502 | L | 97.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 126.2 | 166.8 | 178.3 | 59.6 | 0 | 0 | 0 | 109.9 | Y348 I362 W364 F365 I381 I382 I383 F406 T504 | Y348-L502 CarbonylContact O-C 3.59Å; Y348-L502 WeakPolarHBondContact O-CA 3.48Å; Y348-L502 WeakPolarHBondContact O-CD1 3.3Å; I362-L502 HydrophobicContact CG1-CD2 4.19Å; W364-L502 HydrophobicContact CZ3-CD1 4.32Å; F365-L502 HydrophobicContact CB-CD1 4.17Å; F365-L502 HydrophobicContact CB-CD2 3.96Å; F365-L502 HydrophobicContact CB-CG 4.45Å; F365-L502 HydrophobicContact CD2-CB 3.73Å; F365-L502 HydrophobicContact CD2-CD1 4.45Å; F365-L502 HydrophobicContact CD2-CG 4.47Å; F365-L502 HydrophobicContact CE2-CB 4Å; F365-L502 HydrophobicContact CG-CB 4.02Å; F365-L502 HydrophobicContact CG-CD2 4.13Å; F365-L502 HydrophobicContact CG-CG 4.45Å; I381-L502 PolarHBondContact O-N 3.2Å; I382-L502 CarbonylContact C-O 3.57Å; I382-L502 WeakPolarHBondContact CA-O 3.47Å; I382-L502 HydrophobicContact CB-CB 4.44Å; I382-L502 HydrophobicContact CD1-CD2 3.93Å; I382-L502 HydrophobicContact CD1-CG 4.45Å; I382-L502 HydrophobicContact CG1-CB 4.2Å; I382-L502 HydrophobicContact CG1-CD2 4.16Å; I382-L502 HydrophobicContact CG1-CG 4.18Å; I383-L502 PolarHBondContact N-O 3.38Å; F406-L502 HydrophobicContact CE1-CB 4.02Å; F406-L502 HydrophobicContact CE1-CD2 3.96Å; F406-L502 HydrophobicContact CZ-CD2 3.65Å; L502-T504 HydrophobicContact CD2-CG2 4.37Å; L502-T504 HydrophobicContact CG-CG2 4.28Å |
| 503 | V | 97.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 116.2 | 177.6 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | Y347 Y348 L349 D350 I383 V501 M509 V510 I513 | Y347-V503 HydrophobicContact CD1-CG2 4.44Å; Y348-V503 PolarHBondContact O-N 2.96Å; L349-V503 HydrophobicContact CD2-CB 3.6Å; L349-V503 HydrophobicContact CD2-CG1 4.28Å; L349-V503 HydrophobicContact CD2-CG2 3.57Å; D350-V503 PolarHBondContact N-O 3.46Å; D350-V503 VanDerWaalsContact N-O 3.09Å; I383-V503 HydrophobicContact CD1-CG2 4.48Å; V501-V503 HydrophobicContact CG1-CG2 3.94Å; V503-M509 HydrophobicContact CG1-CG 3.62Å; V503-V510 HydrophobicContact CG1-CG2 4.1Å; V503-I513 HydrophobicContact CB-CG1 4.25Å; V503-I513 HydrophobicContact CG1-CB 4.23Å; V503-I513 HydrophobicContact CG1-CG1 3.5Å; V503-I513 VanDerWaalsContact CG1-CG1 3.5Å; V503-I513 HydrophobicContact CG2-CB 4.38Å; V503-I513 HydrophobicContact CG2-CG1 3.79Å; V503-I513 HydrophobicContact CG2-CG2 4.21Å |
| 504 | T | 97 | Very high | 92.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | -174.2 | -174.5 | -160.3 | 0 | 0 | 0 | 0 | 113.5 | D350 A352 L358 I382 I383 F384 L502 S506 | D350-T504 VanDerWaalsContact O-CA 3.27Å; D350-T504 WeakPolarHBondContact O-CA 3.32Å; D350-T504 VanDerWaalsContact O-CB 3.3Å; D350-T504 WeakPolarHBondContact O-CB 3.45Å; D350-T504 PolarHBondContact O-OG1 2.87Å; A352-T504 WeakPolarHBondContact CB-OG1 3.45Å; L358-T504 HydrophobicContact CD1-CG2 3.47Å; L358-T504 VanDerWaalsContact CD1-CG2 3.47Å; I382-T504 HydrophobicContact CD1-CG2 4.05Å; I382-T504 HydrophobicContact CG1-CG2 4.41Å; I383-T504 PolarHBondContact O-N 2.58Å; I383-T504 VanDerWaalsContact O-N 3.07Å; F384-T504 HydrophobicContact CD2-CG2 3.85Å; F384-T504 HydrophobicContact CE2-CG2 4.44Å; L502-T504 HydrophobicContact CD2-CG2 4.37Å; L502-T504 HydrophobicContact CG-CG2 4.28Å; T504-S506 VanDerWaalsContact C-N 3.33Å; T504-S506 PolarHBondContact O-N 3.13Å |
| 505 | G | 94.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 6% | 0.062 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 92.8 | -23.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A352 F384 T385 | A352-G505 CarbonylContact O-C 3.56Å; A352-G505 WeakPolarHBondContact O-CA 3.4Å; A352-G505 PolarHBondContact O-N 3.05Å; F384-G505 VanDerWaalsContact CE2-CA 3.48Å; T385-G505 CarbonylContact O-C 3.56Å; T385-G505 VanDerWaalsContact O-CA 3.31Å; T385-G505 WeakPolarHBondContact O-CA 3.48Å |
| 506 | S | 92.5 | Very high | 93.8 | Very high | 8 Ų | 8 | 20.6 Ų | 20.6 | 6% | 0.056 | 10% | 0.098 | C | C | . | . | trans | -163.4 | 148.2 | 178.5 | 177.6 | 0 | 0 | 0 | 0 | 113.1 | A352 I387 T504 Y508 M509 V510 | A352-S506 PolarHBondContact O-N 3.26Å; I387-S506 WeakPolarHBondContact CG1-OG 3.46Å; T504-S506 VanDerWaalsContact C-N 3.33Å; T504-S506 PolarHBondContact O-N 3.13Å; S506-Y508 VanDerWaalsContact C-N 3.26Å; S506-Y508 PolarHBondContact O-N 3.15Å; S506-Y508 WeakPolarHBondContact OG-CD2 3.39Å; S506-Y508 PolarHBondContact OG-N 3.25Å; S506-M509 WeakPolarHBondContact O-CB 2.98Å; S506-M509 PolarHBondContact O-N 3.22Å; S506-V510 PolarHBondContact O-N 2.97Å | ||
| 507 | L | 91.3 | Very high | 94.2 | Very high | 28 Ų | 28 | 20.2 Ų | 20.2 | 15% | 0.147 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.9 | -30.8 | 167.9 | -74.6 | 170.9 | 0 | 0 | 0 | 112.3 | P99 L101 M509 V510 G511 | P99-L507 HydrophobicContact CG-CD1 3.77Å; L101-L507 HydrophobicContact CD2-CB 4.03Å; L101-L507 HydrophobicContact CD2-CD2 3.66Å; L101-L507 HydrophobicContact CD2-CG 4.42Å; L101-L507 WeakPolarHBondContact CD2-O 3.35Å; L507-M509 VanDerWaalsContact C-N 3.33Å; L507-V510 PolarHBondContact O-N 3.38Å; L507-G511 PolarHBondContact O-N 2.7Å |
| 508 | Y | 92.1 | Very high | 94.5 | Very high | 63 Ų | 63 | 24.9 Ų | 24.9 | 25% | 0.247 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.4 | -36.5 | 175.9 | -61.7 | -78.1 | 0 | 0 | 0 | 111.8 | K425 S506 G511 R512 | K425-Y508 HydrophobicContact CD-CE2 3.66Å; K425-Y508 WeakPolarHBondContact CD-OH 3.42Å; K425-Y508 VanDerWaalsContact CE-OH 3.27Å; K425-Y508 WeakPolarHBondContact CE-OH 3.41Å; K425-Y508 PolarHBondContact NZ-OH 3.4Å; K425-Y508 VanDerWaalsContact NZ-OH 3.13Å; S506-Y508 VanDerWaalsContact C-N 3.26Å; S506-Y508 PolarHBondContact O-N 3.15Å; S506-Y508 WeakPolarHBondContact OG-CD2 3.39Å; S506-Y508 PolarHBondContact OG-N 3.25Å; Y508-G511 PolarHBondContact O-N 2.92Å; Y508-R512 WeakPolarHBondContact O-CB 3.46Å; Y508-R512 PolarHBondContact O-N 2.8Å |
| 509 | M | 94 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.9 | -49 | 174.3 | -178.3 | 61.3 | 74.4 | 0 | 0 | 110.6 | I383 T385 A412 P414 L462 V503 S506 L507 R512 I513 | I383-M509 HydrophobicContact CG2-CE 4.18Å; I383-M509 HydrophobicContact CG2-CG 4.48Å; I383-M509 HydrophobicContact CG2-SD 3.62Å; T385-M509 HydrophobicContact CG2-CE 3.42Å; T385-M509 VanDerWaalsContact CG2-CE 3.42Å; A412-M509 HydrophobicContact CB-CE 4.28Å; A412-M509 WeakPolarHBondContact O-CE 3.19Å; P414-M509 HydrophobicContact CB-CB 4.35Å; P414-M509 HydrophobicContact CB-CE 4.29Å; P414-M509 HydrophobicContact CB-SD 4.38Å; L462-M509 HydrophobicContact CD2-CE 4.22Å; L462-M509 HydrophobicContact CD2-SD 3.24Å; L462-M509 WeakPolarHBondContact CD2-SD 3.32Å; V503-M509 HydrophobicContact CG1-CG 3.62Å; S506-M509 WeakPolarHBondContact O-CB 2.98Å; S506-M509 PolarHBondContact O-N 3.22Å; L507-M509 VanDerWaalsContact C-N 3.33Å; M509-R512 PolarHBondContact O-N 3Å; M509-I513 PolarHBondContact O-N 2.97Å; M509-I513 VanDerWaalsContact O-N 3.12Å |
| 510 | V | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.1 | -44.9 | 176.4 | 175.7 | 0 | 0 | 0 | 0 | 112.1 | L101 G335 L349 V503 S506 L507 R512 I513 L514 | L101-V510 HydrophobicContact CD2-CB 4.39Å; L101-V510 HydrophobicContact CD2-CG1 4.3Å; G335-V510 VanDerWaalsContact CA-CG1 3.46Å; L349-V510 HydrophobicContact CB-CG1 3.89Å; V503-V510 HydrophobicContact CG1-CG2 4.1Å; S506-V510 PolarHBondContact O-N 2.97Å; L507-V510 PolarHBondContact O-N 3.38Å; V510-R512 VanDerWaalsContact C-N 3.31Å; V510-R512 PolarHBondContact O-N 2.98Å; V510-I513 PolarHBondContact O-N 2.7Å; V510-L514 HydrophobicContact CG1-CD1 3.87Å; V510-L514 HydrophobicContact CG1-CG 4.23Å; V510-L514 WeakPolarHBondContact O-CG 3.36Å; V510-L514 PolarHBondContact O-N 3.02Å |
| 511 | G | 94.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.3 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I102 L507 Y508 L514 K515 | I102-G511 WeakPolarHBondContact CD1-O 3.41Å; I102-G511 WeakPolarHBondContact CG1-O 3.48Å; L507-G511 PolarHBondContact O-N 2.7Å; Y508-G511 PolarHBondContact O-N 2.92Å; G511-L514 PolarHBondContact O-N 3.41Å; G511-K515 WeakPolarHBondContact O-CB 3.22Å; G511-K515 PolarHBondContact O-N 3.43Å |
| 512 | R | 93.7 | Very high | 93.7 | Very high | 27 Ų | 27 | 29.3 Ų | 29.3 | 10% | 0.102 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 174.2 | 179 | 55.5 | 67 | 161.9 | 12 | 111.3 | P414 D416 L462 S463 Y508 M509 V510 K515 E516 | P414-R512 HydrophobicContact CB-CB 4.37Å; P414-R512 PolarHBondContact O-NE 3.34Å; P414-R512 PolarHBondContact O-NH2 3.33Å; D416-R512 VanDerWaalsContact N-NH2 3.15Å; D416-R512 PolarHBondContact O-NH2 3.1Å; D416-R512 IonicContact OD2-CZ 3.56Å; D416-R512 IonicContact OD2-NE 2.98Å; L462-R512 HydrophobicContact CB-CG 4.47Å; L462-R512 HydrophobicContact CD2-CB 4.11Å; L462-R512 HydrophobicContact CD2-CG 3.64Å; L462-R512 HydrophobicContact CG-CG 4.1Å; S463-R512 PolarHBondContact OG-NH1 3.18Å; Y508-R512 WeakPolarHBondContact O-CB 3.46Å; Y508-R512 PolarHBondContact O-N 2.8Å; M509-R512 PolarHBondContact O-N 3Å; V510-R512 VanDerWaalsContact C-N 3.31Å; V510-R512 PolarHBondContact O-N 2.98Å; R512-K515 WeakPolarHBondContact O-CB 3.43Å; R512-K515 PolarHBondContact O-N 3.37Å; R512-E516 HydrophobicContact CG-CG 4.47Å; R512-E516 IonicContact NH1-OE1 3.8Å; R512-E516 PolarHBondContact NH1-OE1 3.49Å; R512-E516 WeakPolarHBondContact O-CG 3.47Å; R512-E516 PolarHBondContact O-N 2.97Å |
| 513 | I | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -48.7 | 178.1 | -64.2 | -56.5 | 0 | 0 | 0 | 111.6 | Y347 L349 I383 L462 V466 V503 M509 V510 K515 E516 I517 | Y347-I513 HydrophobicContact CD1-CG2 3.82Å; Y347-I513 HydrophobicContact CE1-CG2 4.11Å; Y347-I513 HydrophobicContact CG-CG2 4.5Å; L349-I513 HydrophobicContact CD2-CB 4.34Å; L349-I513 HydrophobicContact CD2-CG2 3.84Å; I383-I513 HydrophobicContact CD1-CD1 4.19Å; L462-I513 HydrophobicContact CD1-CD1 3.98Å; L462-I513 HydrophobicContact CD2-CD1 4.1Å; L462-I513 HydrophobicContact CG-CD1 4.12Å; V466-I513 HydrophobicContact CG2-CD1 3.25Å; V503-I513 HydrophobicContact CB-CG1 4.25Å; V503-I513 HydrophobicContact CG1-CB 4.23Å; V503-I513 HydrophobicContact CG1-CG1 3.5Å; V503-I513 VanDerWaalsContact CG1-CG1 3.5Å; V503-I513 HydrophobicContact CG2-CB 4.38Å; V503-I513 HydrophobicContact CG2-CG1 3.79Å; V503-I513 HydrophobicContact CG2-CG2 4.21Å; M509-I513 PolarHBondContact O-N 2.97Å; M509-I513 VanDerWaalsContact O-N 3.12Å; V510-I513 PolarHBondContact O-N 2.7Å; I513-K515 PolarHBondContact O-N 3.19Å; I513-E516 PolarHBondContact O-N 3Å; I513-I517 HydrophobicContact CG2-CD1 4.17Å; I513-I517 HydrophobicContact CG2-CG2 4.24Å; I513-I517 WeakPolarHBondContact O-CG1 3.5Å; I513-I517 PolarHBondContact O-N 2.8Å |
| 514 | L | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.7 | -41.3 | 178.1 | -73.6 | 170.1 | 0 | 0 | 0 | 111.8 | L101 I102 P334 L349 V510 G511 D518 E519 V521 | L101-L514 HydrophobicContact CD1-CD1 4.05Å; I102-L514 HydrophobicContact CD1-CB 3.8Å; P334-L514 HydrophobicContact CB-CD1 4.46Å; L349-L514 HydrophobicContact CD1-CD2 3.38Å; L349-L514 HydrophobicContact CD1-CG 3.92Å; V510-L514 HydrophobicContact CG1-CD1 3.87Å; V510-L514 HydrophobicContact CG1-CG 4.23Å; V510-L514 WeakPolarHBondContact O-CG 3.36Å; V510-L514 PolarHBondContact O-N 3.02Å; G511-L514 PolarHBondContact O-N 3.41Å; L514-D518 PolarHBondContact O-N 2.85Å; L514-E519 HydrophobicContact CD2-CB 3.64Å; L514-E519 HydrophobicContact CD2-CG 3.5Å; L514-E519 VanDerWaalsContact CD2-CG 3.5Å; L514-E519 PolarHBondContact O-N 3.45Å; L514-V521 HydrophobicContact CD1-CG2 4.21Å |
| 515 | K | 93.4 | Very high | 93 | Very high | 102 Ų | 102 | 34.5 Ų | 34.5 | 44% | 0.443 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.6 | -47.1 | 175.7 | -171.3 | -179 | 176.2 | -177.7 | 0 | 112.6 | I102 G511 R512 I513 I517 D518 | I102-K515 HydrophobicContact CD1-CB 4.08Å; I102-K515 HydrophobicContact CG2-CB 4.23Å; I102-K515 HydrophobicContact CG2-CD 4.1Å; I102-K515 HydrophobicContact CG2-CG 4.33Å; G511-K515 WeakPolarHBondContact O-CB 3.22Å; G511-K515 PolarHBondContact O-N 3.43Å; R512-K515 WeakPolarHBondContact O-CB 3.43Å; R512-K515 PolarHBondContact O-N 3.37Å; I513-K515 PolarHBondContact O-N 3.19Å; K515-I517 VanDerWaalsContact C-N 3.28Å; K515-I517 PolarHBondContact O-N 3.09Å; K515-D518 PolarHBondContact O-N 3.05Å |
| 516 | E | 93.6 | Very high | 93 | Very high | 26 Ų | 26 | 36.3 Ų | 36.3 | 12% | 0.121 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -76.6 | -13.5 | -175.2 | -60.2 | -58.4 | 135.8 | 0 | 0 | 113.8 | S463 V466 K467 Q470 R512 I513 | S463-E516 VanDerWaalsContact OG-CD 3.25Å; S463-E516 PolarHBondContact OG-OE1 3.16Å; S463-E516 VanDerWaalsContact OG-OE1 3.1Å; V466-E516 HydrophobicContact CB-CB 4.19Å; V466-E516 HydrophobicContact CG1-CB 3.67Å; K467-E516 WeakPolarHBondContact CE-OE2 3.46Å; K467-E516 IonicContact NZ-OE2 2.82Å; K467-E516 PolarHBondContact NZ-OE2 2.95Å; Q470-E516 PolarHBondContact NE2-O 3.33Å; R512-E516 HydrophobicContact CG-CG 4.47Å; R512-E516 IonicContact NH1-OE1 3.8Å; R512-E516 PolarHBondContact NH1-OE1 3.49Å; R512-E516 WeakPolarHBondContact O-CG 3.47Å; R512-E516 PolarHBondContact O-N 2.97Å; I513-E516 PolarHBondContact O-N 3Å |
| 517 | I | 94.9 | Very high | 93 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 8.6 | 174.3 | 73.3 | 179.5 | 0 | 0 | 0 | 113.2 | V340 R342 Y347 V466 I513 K515 E519 | V340-I517 HydrophobicContact CB-CD1 4.15Å; V340-I517 HydrophobicContact CG1-CD1 3.81Å; R342-I517 HydrophobicContact CG-CB 4.22Å; R342-I517 PolarHBondContact NE-O 3.43Å; R342-I517 PolarHBondContact NH2-O 3.18Å; Y347-I517 HydrophobicContact CD2-CD1 4.13Å; Y347-I517 HydrophobicContact CD2-CG2 4.46Å; Y347-I517 HydrophobicContact CE1-CG2 4.26Å; Y347-I517 HydrophobicContact CE2-CG2 3.9Å; Y347-I517 HydrophobicContact CG-CD1 4.3Å; V466-I517 HydrophobicContact CG1-CG2 4.02Å; I513-I517 HydrophobicContact CG2-CD1 4.17Å; I513-I517 HydrophobicContact CG2-CG2 4.24Å; I513-I517 WeakPolarHBondContact O-CG1 3.5Å; I513-I517 PolarHBondContact O-N 2.8Å; K515-I517 VanDerWaalsContact C-N 3.28Å; K515-I517 PolarHBondContact O-N 3.09Å; I517-E519 VanDerWaalsContact C-N 3.26Å; I517-E519 HydrophobicContact CD1-CB 4.08Å; I517-E519 HydrophobicContact CG1-CB 3.83Å; I517-E519 PolarHBondContact O-N 3.43Å |
| 518 | D | 93.2 | Very high | 93.1 | Very high | 141 Ų | 141 | 38.9 Ų | 38.9 | 75% | 0.754 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 44 | -176.9 | -61.3 | -50.1 | 0 | 0 | 0 | 112.6 | R342 L514 K515 | R342-D518 PolarHBondContact NH2-O 3.44Å; L514-D518 PolarHBondContact O-N 2.85Å; K515-D518 PolarHBondContact O-N 3.05Å |
| 519 | E | 93.4 | Very high | 93.2 | Very high | 41 Ų | 41 | 37 Ų | 37 | 19% | 0.192 | 20% | 0.195 | C | C | . | . | trans | -89.5 | 124.4 | 174.7 | -180 | 71.4 | 178.9 | 0 | 0 | 110.4 | Q338 V340 R342 L514 I517 | Q338-E519 PolarHBondContact NE2-OE1 2.8Å; V340-E519 HydrophobicContact CG1-CB 4.43Å; V340-E519 HydrophobicContact CG1-CG 4.25Å; V340-E519 WeakPolarHBondContact CG1-OE2 3.49Å; V340-E519 HydrophobicContact CG2-CG 3.96Å; R342-E519 IonicContact CZ-OE2 2.99Å; R342-E519 VanDerWaalsContact CZ-OE2 3.3Å; R342-E519 IonicContact NH1-OE2 3.37Å; R342-E519 PolarHBondContact NH1-OE2 3.39Å; R342-E519 VanDerWaalsContact NH1-OE2 3.16Å; R342-E519 IonicContact NH2-OE2 3.9Å; R342-E519 PolarHBondContact NH2-OE2 3.21Å; L514-E519 HydrophobicContact CD2-CB 3.64Å; L514-E519 HydrophobicContact CD2-CG 3.5Å; L514-E519 VanDerWaalsContact CD2-CG 3.5Å; L514-E519 PolarHBondContact O-N 3.45Å; I517-E519 VanDerWaalsContact C-N 3.26Å; I517-E519 HydrophobicContact CD1-CB 4.08Å; I517-E519 HydrophobicContact CG1-CB 3.83Å; I517-E519 PolarHBondContact O-N 3.43Å | ||
| 520 | P | 88.7 | Confident | 93.1 | Very high | 101 Ų | 101 | 40.1 Ų | 40.1 | 66% | 0.656 | 21% | 0.211 | S | C | * | . | trans | -61.5 | 145.9 | 175.5 | -22.2 | 33.1 | 0 | 0 | 0 | 112.9 | ||||
| 521 | V | 85.4 | Confident | 92.9 | Very high | 37 Ų | 37 | 43.7 Ų | 43.7 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | trans | -113.2 | 0 | 178 | -171.7 | 0 | 0 | 0 | 0 | 110.7 | L101 I102 E106 R109 P114 P334 L514 | L101-V521 HydrophobicContact CB-CG1 4.43Å; L101-V521 HydrophobicContact CD1-CG1 3.96Å; I102-V521 HydrophobicContact CD1-CG2 3.48Å; I102-V521 VanDerWaalsContact CD1-CG2 3.48Å; I102-V521 HydrophobicContact CG1-CG2 4.1Å; E106-V521 HydrophobicContact CG-CB 4.38Å; E106-V521 HydrophobicContact CG-CG1 4Å; E106-V521 WeakPolarHBondContact OE2-CG1 3.48Å; R109-V521 VanDerWaalsContact CZ-OXT 3.29Å; R109-V521 PolarHBondContact NH1-OXT 2.92Å; R109-V521 PolarHBondContact NH2-OXT 3.47Å; P114-V521 WeakPolarHBondContact CG-O 3.43Å; P334-V521 HydrophobicContact CB-CG1 3.76Å; P334-V521 HydrophobicContact CG-CB 4.44Å; P334-V521 HydrophobicContact CG-CG1 3.77Å; P334-V521 VanDerWaalsContact CG-OXT 3.23Å; P334-V521 WeakPolarHBondContact CG-OXT 3.49Å; L514-V521 HydrophobicContact CD1-CG2 4.21Å |
Retrieved 521 of 521 residues in 691.5 ms
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