| 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 | 37.5 | Very low | 39.2 | Very low | 228 Ų | 228 | 165.9 Ų | 165.9 | 100% | 1.123 | 83% | 0.831 | S | S | * | * | 0 | 92.9 | 0 | -81.8 | 175.4 | 174.1 | 0 | 0 | 108.4 | F3 | M1-F3 PolarHBondContact O-N 3.24Š| |||
| 2 | T | 33.4 | Very low | 42.6 | Very low | 148 Ų | 148 | 162.6 Ų | 162.6 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | trans | -78.6 | 106.2 | -179.2 | -25.7 | 0 | 0 | 0 | 0 | 107.6 | R4 | T2-R4 PolarHBondContact O-N 2.91Š| ||
| 3 | F | 32.2 | Very low | 46.3 | Very low | 195 Ų | 195 | 153.1 Ų | 153.1 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | -59.4 | 101.4 | 172.8 | -82.8 | -95.3 | 0 | 0 | 0 | 108.7 | M1 K5 | M1-F3 PolarHBondContact O-N 3.24Å; F3-K5 PolarHBondContact O-N 2.92Å | ||
| 4 | R | 35.5 | Very low | 49.8 | Very low | 235 Ų | 235 | 144.8 Ų | 144.8 | 89% | 0.887 | 72% | 0.717 | S | S | * | * | trans | -59 | 108.1 | 158 | -90.8 | -176.7 | 172.1 | 177.4 | -2.5 | 105.6 | T2 I6 | T2-R4 PolarHBondContact O-N 2.91Å; R4-I6 PolarHBondContact O-N 3.01Å | ||
| 5 | K | 36 | Very low | 52.9 | Low | 192 Ų | 192 | 145.5 Ų | 145.5 | 84% | 0.835 | 72% | 0.718 | S | S | * | * | trans | -52.5 | 107.8 | 168 | -87.1 | -179.3 | 172.8 | 177.7 | 0 | 107.2 | F3 V7 | F3-K5 PolarHBondContact O-N 2.92Å; K5-V7 PolarHBondContact O-N 2.92Å | ||
| 6 | I | 32.2 | Very low | 55.6 | Low | 163 Ų | 163 | 141.6 Ų | 141.6 | 84% | 0.836 | 70% | 0.701 | S | S | * | * | trans | -67.3 | 92.3 | 164.9 | -60.6 | 173.4 | 0 | 0 | 0 | 104.6 | R4 | R4-I6 PolarHBondContact O-N 3.01Š| ||
| 7 | V | 37.3 | Very low | 57.9 | Low | 109 Ų | 109 | 133.3 Ų | 133.3 | 66% | 0.661 | 66% | 0.659 | S | S | * | * | trans | -62.7 | 131.8 | 163.9 | -177.4 | 0 | 0 | 0 | 0 | 105.4 | K5 C9 | K5-V7 PolarHBondContact O-N 2.92Å; V7-C9 PolarHBondContact O-N 3.04Å | ||
| 8 | P | 36.5 | Very low | 60 | Low | 104 Ų | 104 | 128.1 Ų | 128.1 | 68% | 0.675 | 63% | 0.634 | S | S | * | * | trans | -56 | 114 | 176.2 | -17.3 | 28.6 | 0 | 0 | 0 | 107.5 | F10 | P8-F10 PolarHBondContact O-N 2.81Š| ||
| 9 | C | 43.7 | Very low | 61.8 | Low | 113 Ų | 113 | 127.3 Ų | 127.3 | 76% | 0.764 | 63% | 0.628 | S | S | * | * | trans | -71.3 | 81.5 | 171.6 | -165.7 | 0 | 0 | 0 | 0 | 106.1 | V7 I11 | V7-C9 PolarHBondContact O-N 3.04Å; C9-I11 PolarHBondContact O-N 2.92Å | ||
| 10 | F | 50.4 | Low | 63.4 | Low | 180 Ų | 180 | 123 Ų | 123 | 79% | 0.789 | 61% | 0.606 | S | S | * | * | trans | -50.1 | 115.3 | 148.7 | -98.8 | -90.5 | 0 | 0 | 0 | 104.6 | P8 R12 | P8-F10 PolarHBondContact O-N 2.81Å; F10-R12 VanDerWaalsContact O-CG 3.3Å; F10-R12 WeakPolarHBondContact O-CG 3.3Å; F10-R12 PolarHBondContact O-N 2.7Å | ||
| 11 | I | 56.7 | Low | 64.9 | Low | 158 Ų | 158 | 117.1 Ų | 117.1 | 81% | 0.81 | 58% | 0.578 | S | S | * | * | trans | -56.3 | 97.5 | 175.7 | -63.9 | 170.1 | 0 | 0 | 0 | 105.1 | C9 S13 | C9-I11 PolarHBondContact O-N 2.92Å; I11-S13 PolarHBondContact O-N 2.73Å | ||
| 12 | R | 79.3 | Confident | 67.6 | Low | 126 Ų | 126 | 109.6 Ų | 109.6 | 48% | 0.475 | 54% | 0.542 | S | S | . | . | trans | -70.8 | 118 | -172 | -63.6 | -171.3 | 176 | 169.5 | -0.3 | 107.1 | F10 W125 | F10-R12 VanDerWaalsContact O-CG 3.3Å; F10-R12 WeakPolarHBondContact O-CG 3.3Å; F10-R12 PolarHBondContact O-N 2.7Å; R12-W125 HydrophobicContact CB-CD2 3.82Å; R12-W125 HydrophobicContact CB-CG 3.97Å; R12-W125 HydrophobicContact CB-CH2 4.48Å; R12-W125 HydrophobicContact CB-CZ2 3.71Å; R12-W125 VanDerWaalsContact CD-CE3 3.42Å; R12-W125 HydrophobicContact CG-CD2 4.27Å; R12-W125 HydrophobicContact CG-CZ2 4.34Å; R12-W125 PolarHBondContact O-NE1 3.45Å | ||
| 13 | S | 91.3 | Very high | 70.3 | Confident | 39 Ų | 39 | 107.1 Ų | 107.1 | 27% | 0.273 | 52% | 0.519 | S | S | . | . | trans | -74.3 | 165.4 | -168.7 | 74.1 | 0 | 0 | 0 | 0 | 112.2 | I11 Q15 D16 A17 W125 | I11-S13 PolarHBondContact O-N 2.73Å; S13-Q15 VanDerWaalsContact C-N 3.29Å; S13-Q15 PolarHBondContact OG-N 3.48Å; S13-D16 WeakPolarHBondContact CB-OD2 3.44Å; S13-D16 PolarHBondContact N-OD2 2.87Å; S13-D16 PolarHBondContact O-N 2.91Å; S13-D16 PolarHBondContact OG-N 3.33Å; S13-D16 PolarHBondContact OG-OD2 3.49Å; S13-A17 PolarHBondContact O-N 3.33Å; S13-W125 PolarHBondContact O-NE1 2.89Å | ||
| 14 | Y | 95.7 | Very high | 72.8 | Confident | 37 Ų | 37 | 98.6 Ų | 98.6 | 15% | 0.145 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -60.1 | -40 | 168.5 | 170.3 | -97 | 0 | 0 | 0 | 111.6 | D16 A17 I18 E105 R117 F120 | Y14-D16 VanDerWaalsContact C-N 3.33Å; Y14-D16 PolarHBondContact O-N 3.15Å; Y14-A17 WeakPolarHBondContact O-CB 3.34Å; Y14-A17 PolarHBondContact O-N 3.47Å; Y14-A17 VanDerWaalsContact O-N 3.13Å; Y14-I18 HydrophobicContact CD1-CG1 4.15Å; Y14-I18 HydrophobicContact CD2-CD1 4.5Å; Y14-I18 HydrophobicContact CD2-CG1 4.34Å; Y14-I18 HydrophobicContact CE1-CD1 4.3Å; Y14-I18 HydrophobicContact CE1-CG1 3.7Å; Y14-I18 HydrophobicContact CE2-CD1 3.81Å; Y14-I18 HydrophobicContact CE2-CG1 3.96Å; Y14-I18 HydrophobicContact CG-CG1 4.45Å; Y14-I18 WeakPolarHBondContact O-CG1 3.37Å; Y14-I18 PolarHBondContact O-N 3.21Å; Y14-E105 PolarHBondContact OH-OE2 3.37Å; Y14-R117 HydrophobicContact CD1-CB 4.27Å; Y14-R117 HydrophobicContact CD1-CG 4.23Å; Y14-R117 HydrophobicContact CD2-CB 3.56Å; Y14-R117 HydrophobicContact CD2-CG 3.93Å; Y14-R117 VanDerWaalsContact CD2-O 3.29Å; Y14-R117 WeakPolarHBondContact CD2-O 3.35Å; Y14-R117 HydrophobicContact CE1-CG 4.03Å; Y14-R117 HydrophobicContact CE2-CB 3.82Å; Y14-R117 HydrophobicContact CE2-CG 3.67Å; Y14-R117 HydrophobicContact CG-CB 3.78Å; Y14-R117 HydrophobicContact CG-CG 4.18Å; Y14-F120 HydrophobicContact CD2-CD1 4.24Å; Y14-F120 HydrophobicContact CE2-CB 4.45Å; Y14-F120 HydrophobicContact CE2-CD1 4.01Å; Y14-F120 HydrophobicContact CE2-CG 4.39Å |
| 15 | Q | 95.6 | Very high | 74.9 | Confident | 156 Ų | 156 | 90.3 Ų | 90.3 | 73% | 0.729 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.3 | -42.2 | 179 | -70.9 | 172.6 | -14.6 | 0 | 0 | 111.5 | S13 A17 I18 H19 | S13-Q15 VanDerWaalsContact C-N 3.29Å; S13-Q15 PolarHBondContact OG-N 3.48Å; Q15-A17 VanDerWaalsContact C-N 3.32Å; Q15-A17 PolarHBondContact O-N 3Å; Q15-I18 PolarHBondContact O-N 3.17Å; Q15-H19 WeakPolarHBondContact O-CB 3.4Å; Q15-H19 PolarHBondContact O-N 3.25Å |
| 16 | D | 95.5 | Very high | 76.1 | Confident | 83 Ų | 83 | 88 Ų | 88 | 44% | 0.444 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 174.4 | -61.5 | -44.3 | 0 | 0 | 0 | 111.6 | S13 Y14 H19 E20 W125 | S13-D16 WeakPolarHBondContact CB-OD2 3.44Å; S13-D16 PolarHBondContact N-OD2 2.87Å; S13-D16 PolarHBondContact O-N 2.91Å; S13-D16 PolarHBondContact OG-N 3.33Å; S13-D16 PolarHBondContact OG-OD2 3.49Å; Y14-D16 VanDerWaalsContact C-N 3.33Å; Y14-D16 PolarHBondContact O-N 3.15Å; D16-H19 PolarHBondContact O-N 3.35Å; D16-E20 WeakPolarHBondContact O-CB 3.08Å; D16-E20 WeakPolarHBondContact O-CG 3.44Å; D16-E20 PolarHBondContact O-N 3.05Å; D16-W125 HydrophobicContact CB-CH2 4.26Å; D16-W125 HydrophobicContact CB-CZ2 3.64Å |
| 17 | A | 96 | Very high | 77.4 | Confident | 0 Ų | 0 | 85.6 Ų | 85.6 | 0% | 0 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S13 Y14 Q15 L21 A121 F124 W125 | S13-A17 PolarHBondContact O-N 3.33Å; Y14-A17 WeakPolarHBondContact O-CB 3.34Å; Y14-A17 PolarHBondContact O-N 3.47Å; Y14-A17 VanDerWaalsContact O-N 3.13Å; Q15-A17 VanDerWaalsContact C-N 3.32Å; Q15-A17 PolarHBondContact O-N 3Å; A17-L21 WeakPolarHBondContact O-CB 3.38Å; A17-L21 PolarHBondContact O-N 3.27Å; A17-A121 HydrophobicContact CB-CB 4.23Å; A17-F124 HydrophobicContact CB-CB 4.35Å; A17-F124 HydrophobicContact CB-CD1 3.53Å; A17-F124 HydrophobicContact CB-CE1 4.15Å; A17-F124 HydrophobicContact CB-CG 4.18Å; A17-F124 WeakPolarHBondContact O-CE1 2.85Å; A17-W125 HydrophobicContact CB-CZ2 4.15Å |
| 18 | I | 95.5 | Very high | 78.4 | Confident | 39 Ų | 39 | 82.4 Ų | 82.4 | 20% | 0.2 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 176.3 | -62.4 | -56.6 | 0 | 0 | 0 | 111.2 | Y14 Q15 L21 N22 V104 F120 | Y14-I18 HydrophobicContact CD1-CG1 4.15Å; Y14-I18 HydrophobicContact CD2-CD1 4.5Å; Y14-I18 HydrophobicContact CD2-CG1 4.34Å; Y14-I18 HydrophobicContact CE1-CD1 4.3Å; Y14-I18 HydrophobicContact CE1-CG1 3.7Å; Y14-I18 HydrophobicContact CE2-CD1 3.81Å; Y14-I18 HydrophobicContact CE2-CG1 3.96Å; Y14-I18 HydrophobicContact CG-CG1 4.45Å; Y14-I18 WeakPolarHBondContact O-CG1 3.37Å; Y14-I18 PolarHBondContact O-N 3.21Å; Q15-I18 PolarHBondContact O-N 3.17Å; I18-L21 PolarHBondContact O-N 3.06Å; I18-N22 WeakPolarHBondContact O-CB 3.5Å; I18-N22 VanDerWaalsContact O-CG 3.23Å; I18-N22 PolarHBondContact O-N 3.42Å; I18-N22 PolarHBondContact O-ND2 2.65Å; I18-V104 HydrophobicContact CD1-CB 4.42Å; I18-V104 HydrophobicContact CD1-CG1 3.22Å; I18-F120 HydrophobicContact CD1-CD1 4.44Å; I18-F120 HydrophobicContact CD1-CE1 3.92Å |
| 19 | H | 94.4 | Very high | 79.1 | Confident | 113 Ų | 113 | 82.3 Ų | 82.3 | 52% | 0.523 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.8 | -49.4 | 178.9 | -179.3 | 84 | 0 | 0 | 0 | 111.6 | Q15 D16 N22 K23 | Q15-H19 WeakPolarHBondContact O-CB 3.4Å; Q15-H19 PolarHBondContact O-N 3.25Å; D16-H19 PolarHBondContact O-N 3.35Å; H19-N22 PolarHBondContact O-N 3.42Å; H19-K23 VanDerWaalsContact CD2-CE 3.42Å; H19-K23 WeakPolarHBondContact CD2-CE 3.26Å; H19-K23 WeakPolarHBondContact NE2-CE 3.24Å; H19-K23 PolarHBondContact NE2-NZ 3.49Å; H19-K23 PolarHBondContact O-N 3.27Å |
| 20 | E | 94.1 | Very high | 79.1 | Confident | 41 Ų | 41 | 86.5 Ų | 86.5 | 19% | 0.192 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64 | -43.7 | 177.3 | -78.8 | -63.2 | 124.6 | 0 | 0 | 112.5 | D16 N22 K23 F124 W125 R128 | D16-E20 WeakPolarHBondContact O-CB 3.08Å; D16-E20 WeakPolarHBondContact O-CG 3.44Å; D16-E20 PolarHBondContact O-N 3.05Å; E20-N22 VanDerWaalsContact C-N 3.28Å; E20-N22 PolarHBondContact O-N 2.92Å; E20-K23 WeakPolarHBondContact O-CB 3.25Å; E20-K23 PolarHBondContact O-N 3.43Å; E20-K23 VanDerWaalsContact O-N 3.16Å; E20-K23 WeakPolarHBondContact OE1-CE 3.36Å; E20-K23 IonicContact OE1-NZ 2.66Å; E20-K23 PolarHBondContact OE1-NZ 3.38Å; E20-F124 HydrophobicContact CB-CE1 3.74Å; E20-F124 HydrophobicContact CB-CZ 3.74Å; E20-W125 HydrophobicContact CB-CH2 4.19Å; E20-W125 HydrophobicContact CG-CH2 3.68Å; E20-W125 HydrophobicContact CG-CZ3 4.14Å; E20-R128 IonicContact OE2-CZ 3.48Å; E20-R128 IonicContact OE2-NE 3.38Å; E20-R128 PolarHBondContact OE2-NE 2.77Å; E20-R128 IonicContact OE2-NH2 2.78Å; E20-R128 PolarHBondContact OE2-NH2 2.88Å |
| 21 | L | 94.7 | Very high | 79.1 | Confident | 1 Ų | 1 | 82.2 Ų | 82.2 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.5 | -42 | 176.5 | 179.4 | 60.7 | 0 | 0 | 0 | 110.9 | A17 I18 K23 S24 V104 F120 F124 F146 Y149 I150 | A17-L21 WeakPolarHBondContact O-CB 3.38Å; A17-L21 PolarHBondContact O-N 3.27Å; I18-L21 PolarHBondContact O-N 3.06Å; L21-K23 VanDerWaalsContact C-N 3.28Å; L21-K23 PolarHBondContact O-N 3.48Å; L21-S24 WeakPolarHBondContact O-CB 3.04Å; L21-S24 PolarHBondContact O-N 3.15Å; L21-S24 VanDerWaalsContact O-N 3.11Å; L21-S24 PolarHBondContact O-OG 3.42Å; L21-V104 HydrophobicContact CD2-CG2 4.33Å; L21-F120 HydrophobicContact CD2-CE1 4.13Å; L21-F120 HydrophobicContact CD2-CZ 3.71Å; L21-F124 HydrophobicContact CB-CD2 4.29Å; L21-F124 HydrophobicContact CB-CE2 3.71Å; L21-F124 HydrophobicContact CB-CZ 3.94Å; L21-F124 HydrophobicContact CD1-CD2 4.27Å; L21-F124 HydrophobicContact CD1-CE2 3.83Å; L21-F124 HydrophobicContact CG-CE2 4.29Å; L21-F146 HydrophobicContact CD1-CD2 3.86Å; L21-F146 HydrophobicContact CD1-CE2 4.26Å; L21-F146 HydrophobicContact CD2-CD2 4.11Å; L21-F146 HydrophobicContact CD2-CE2 3.65Å; L21-F146 HydrophobicContact CD2-CZ 4.39Å; L21-F146 HydrophobicContact CG-CD2 3.63Å; L21-F146 HydrophobicContact CG-CE2 3.66Å; L21-Y149 HydrophobicContact CD1-CD2 3.99Å; L21-Y149 HydrophobicContact CD1-CG 4.03Å; L21-I150 HydrophobicContact CD2-CD1 4.02Å |
| 22 | N | 92.6 | Very high | 78.9 | Confident | 70 Ų | 70 | 80.3 Ų | 80.3 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.6 | -23.5 | 179 | -74.4 | -21.6 | 0 | 0 | 0 | 113.5 | I18 H19 E20 S24 I25 | I18-N22 WeakPolarHBondContact O-CB 3.5Å; I18-N22 VanDerWaalsContact O-CG 3.23Å; I18-N22 PolarHBondContact O-N 3.42Å; I18-N22 PolarHBondContact O-ND2 2.65Å; H19-N22 PolarHBondContact O-N 3.42Å; E20-N22 VanDerWaalsContact C-N 3.28Å; E20-N22 PolarHBondContact O-N 2.92Å; N22-S24 PolarHBondContact O-N 2.96Å; N22-I25 WeakPolarHBondContact O-CB 3.37Å; N22-I25 PolarHBondContact O-N 3.03Å; N22-I25 VanDerWaalsContact O-N 3.09Å |
| 23 | K | 90.7 | Very high | 77.8 | Confident | 96 Ų | 96 | 76.6 Ų | 76.6 | 42% | 0.417 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.8 | -31.4 | 171.2 | -68.3 | 178.1 | -177.8 | 172 | 0 | 111.9 | H19 E20 L21 I25 K26 L27 | H19-K23 VanDerWaalsContact CD2-CE 3.42Å; H19-K23 WeakPolarHBondContact CD2-CE 3.26Å; H19-K23 WeakPolarHBondContact NE2-CE 3.24Å; H19-K23 PolarHBondContact NE2-NZ 3.49Å; H19-K23 PolarHBondContact O-N 3.27Å; E20-K23 WeakPolarHBondContact O-CB 3.25Å; E20-K23 PolarHBondContact O-N 3.43Å; E20-K23 VanDerWaalsContact O-N 3.16Å; E20-K23 WeakPolarHBondContact OE1-CE 3.36Å; E20-K23 IonicContact OE1-NZ 2.66Å; E20-K23 PolarHBondContact OE1-NZ 3.38Å; L21-K23 VanDerWaalsContact C-N 3.28Å; L21-K23 PolarHBondContact O-N 3.48Å; K23-I25 VanDerWaalsContact C-N 3.25Å; K23-I25 PolarHBondContact O-N 2.92Å; K23-K26 PolarHBondContact O-N 2.81Å; K23-L27 PolarHBondContact O-N 2.91Å |
| 24 | S | 85.7 | Confident | 76.6 | Confident | 15 Ų | 15 | 81.3 Ų | 81.3 | 11% | 0.105 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.9 | -25.1 | 177.1 | 74.8 | 0 | 0 | 0 | 0 | 113.5 | L21 N22 S28 F146 | L21-S24 WeakPolarHBondContact O-CB 3.04Å; L21-S24 PolarHBondContact O-N 3.15Å; L21-S24 VanDerWaalsContact O-N 3.11Å; L21-S24 PolarHBondContact O-OG 3.42Å; N22-S24 PolarHBondContact O-N 2.96Å; S24-S28 PolarHBondContact O-N 3.25Å; S24-F146 WeakPolarHBondContact OG-CA 3.43Å; S24-F146 WeakPolarHBondContact OG-CB 3.28Å; S24-F146 PolarHBondContact OG-N 3.38Å |
| 25 | I | 78.7 | Confident | 75.7 | Confident | 61 Ų | 61 | 83.4 Ų | 83.4 | 31% | 0.313 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.5 | -46.3 | 174.7 | -58.3 | 173.9 | 0 | 0 | 0 | 109.9 | N22 K23 L27 S28 N29 F146 | N22-I25 WeakPolarHBondContact O-CB 3.37Å; N22-I25 PolarHBondContact O-N 3.03Å; N22-I25 VanDerWaalsContact O-N 3.09Å; K23-I25 VanDerWaalsContact C-N 3.25Å; K23-I25 PolarHBondContact O-N 2.92Å; I25-L27 VanDerWaalsContact C-N 3.28Å; I25-L27 PolarHBondContact O-N 2.66Å; I25-S28 PolarHBondContact O-N 2.78Å; I25-S28 VanDerWaalsContact O-N 3.13Å; I25-S28 PolarHBondContact O-OG 3.34Å; I25-N29 PolarHBondContact O-N 3.38Å; I25-N29 VanDerWaalsContact O-N 3.09Å; I25-F146 HydrophobicContact CD1-CD2 3.71Å; I25-F146 HydrophobicContact CD1-CE2 4.09Å; I25-F146 HydrophobicContact CD1-CG 4.18Å; I25-F146 HydrophobicContact CG1-CB 3.74Å; I25-F146 HydrophobicContact CG1-CD2 3.68Å; I25-F146 HydrophobicContact CG1-CG 3.85Å |
| 26 | K | 61.2 | Low | 74.8 | Confident | 143 Ų | 143 | 78.1 Ų | 78.1 | 62% | 0.622 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -58.1 | -44.7 | 179.1 | -67.2 | -175 | 178.1 | -177.9 | 0 | 110.3 | K23 S28 N29 Y30 | K23-K26 PolarHBondContact O-N 2.81Å; K26-S28 VanDerWaalsContact C-N 3.3Å; K26-S28 PolarHBondContact O-N 3.2Å; K26-N29 PolarHBondContact O-N 3Å; K26-N29 VanDerWaalsContact O-N 3.1Å; K26-Y30 HydrophobicContact CB-CE2 4.48Å; K26-Y30 WeakPolarHBondContact O-CD2 3.42Å; K26-Y30 PolarHBondContact O-N 2.73Å; K26-Y30 VanDerWaalsContact O-N 3.1Å |
| 27 | L | 59 | Low | 73.9 | Confident | 113 Ų | 113 | 78.6 Ų | 78.6 | 59% | 0.592 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.8 | -38.3 | 178.6 | -146.9 | 83.6 | 0 | 0 | 0 | 112.7 | K23 I25 | K23-L27 PolarHBondContact O-N 2.91Å; I25-L27 VanDerWaalsContact C-N 3.28Å; I25-L27 PolarHBondContact O-N 2.66Å |
| 28 | S | 58.7 | Low | 73.2 | Confident | 42 Ų | 42 | 82.4 Ų | 82.4 | 29% | 0.294 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.7 | -31.4 | 176 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | S24 I25 K26 L31 | S24-S28 PolarHBondContact O-N 3.25Å; I25-S28 PolarHBondContact O-N 2.78Å; I25-S28 VanDerWaalsContact O-N 3.13Å; I25-S28 PolarHBondContact O-OG 3.34Å; K26-S28 VanDerWaalsContact C-N 3.3Å; K26-S28 PolarHBondContact O-N 3.2Å; S28-L31 CarbonylContact O-C 3.52Å |
| 29 | N | 51.1 | Low | 72.4 | Confident | 103 Ų | 103 | 82.3 Ų | 82.3 | 55% | 0.551 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -78.5 | -31.6 | -178.9 | -71 | -11.1 | 0 | 0 | 0 | 112.8 | I25 K26 L31 T32 | I25-N29 PolarHBondContact O-N 3.38Å; I25-N29 VanDerWaalsContact O-N 3.09Å; K26-N29 PolarHBondContact O-N 3Å; K26-N29 VanDerWaalsContact O-N 3.1Å; N29-L31 PolarHBondContact O-N 3.28Å; N29-T32 PolarHBondContact O-N 2.9Å; N29-T32 PolarHBondContact O-OG1 3.38Å |
| 30 | Y | 44.8 | Very low | 71.9 | Confident | 201 Ų | 201 | 79.5 Ų | 79.5 | 79% | 0.788 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68.6 | -27 | 173.7 | -80.4 | -73.9 | 0 | 0 | 0 | 112.7 | K26 T32 | K26-Y30 HydrophobicContact CB-CE2 4.48Å; K26-Y30 WeakPolarHBondContact O-CD2 3.42Å; K26-Y30 PolarHBondContact O-N 2.73Å; K26-Y30 VanDerWaalsContact O-N 3.1Å; Y30-T32 VanDerWaalsContact C-N 3.26Å; Y30-T32 PolarHBondContact O-N 3.34Å |
| 31 | L | 50.5 | Low | 71.4 | Confident | 90 Ų | 90 | 81.4 Ų | 81.4 | 47% | 0.471 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 51.3 | 170.1 | -62.9 | 170 | 0 | 0 | 0 | 109.6 | S28 N29 P33 | S28-L31 CarbonylContact O-C 3.52Å; N29-L31 PolarHBondContact O-N 3.28Å; L31-P33 WeakPolarHBondContact O-CD 3.01Å |
| 32 | T | 52.4 | Low | 71 | Confident | 118 Ų | 118 | 87.6 Ų | 87.6 | 72% | 0.724 | 45% | 0.45 | S | S | * | . | trans | -65.1 | 100.4 | 165.7 | 25.2 | 0 | 0 | 0 | 0 | 107.6 | N29 Y30 | N29-T32 PolarHBondContact O-N 2.9Å; N29-T32 PolarHBondContact O-OG1 3.38Å; Y30-T32 VanDerWaalsContact C-N 3.26Å; Y30-T32 PolarHBondContact O-N 3.34Å | ||
| 33 | P | 56.4 | Low | 70.6 | Confident | 48 Ų | 48 | 87.4 Ų | 87.4 | 31% | 0.312 | 44% | 0.444 | S | S | . | . | trans | -74 | 150.8 | -176.3 | 36.2 | -33.3 | 0 | 0 | 0 | 107.9 | L31 N35 P36 L39 | L31-P33 WeakPolarHBondContact O-CD 3.01Å; P33-N35 PolarHBondContact O-N 3.36Å; P33-P36 HydrophobicContact CG-CG 4.45Å; P33-L39 HydrophobicContact CB-CB 4.37Å; P33-L39 HydrophobicContact CB-CD2 4.42Å; P33-L39 HydrophobicContact CG-CB 3.85Å; P33-L39 HydrophobicContact CG-CD2 3.73Å; P33-L39 HydrophobicContact CG-CG 4.36Å | ||
| 34 | S | 65 | Low | 70.3 | Confident | 137 Ų | 137 | 86.9 Ų | 86.9 | 96% | 0.958 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -55.5 | -20.7 | 166.8 | 43.9 | 0 | 0 | 0 | 0 | 112.4 | ||
| 35 | N | 77 | Confident | 70.6 | Confident | 82 Ų | 82 | 87.7 Ų | 87.7 | 44% | 0.439 | 45% | 0.451 | S | S | . | . | trans | -135.3 | 95 | 176.1 | -168.8 | -27.3 | 0 | 0 | 0 | 112.4 | P33 R37 L38 L39 | P33-N35 PolarHBondContact O-N 3.36Å; N35-R37 VanDerWaalsContact C-N 3.27Å; N35-R37 PolarHBondContact O-N 2.94Å; N35-R37 WeakPolarHBondContact OD1-CB 3.26Å; N35-R37 PolarHBondContact OD1-N 3.43Å; N35-L38 HydrophobicContact CB-CB 4.05Å; N35-L38 PolarHBondContact O-N 3.46Å; N35-L38 PolarHBondContact OD1-N 3.43Å; N35-L38 VanDerWaalsContact OD1-N 3.15Å; N35-L39 PolarHBondContact O-N 2.77Å | ||
| 36 | P | 76.1 | Confident | 71.3 | Confident | 45 Ų | 45 | 85.9 Ų | 85.9 | 29% | 0.292 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.7 | -30.9 | 178.6 | -27.7 | 36.4 | 0 | 0 | 0 | 114.9 | P33 K40 I200 | P33-P36 HydrophobicContact CG-CG 4.45Å; P36-K40 PolarHBondContact O-N 3.13Å; P36-I200 HydrophobicContact CB-CG1 4.12Å |
| 37 | R | 77.9 | Confident | 73 | Confident | 93 Ų | 93 | 79 Ų | 79 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.2 | -47.8 | 178.8 | 178.8 | 179.4 | 170.1 | 170.7 | 0.5 | 110.9 | N35 L39 K40 E41 W210 | N35-R37 VanDerWaalsContact C-N 3.27Å; N35-R37 PolarHBondContact O-N 2.94Å; N35-R37 WeakPolarHBondContact OD1-CB 3.26Å; N35-R37 PolarHBondContact OD1-N 3.43Å; R37-L39 VanDerWaalsContact C-N 3.26Å; R37-L39 PolarHBondContact O-N 3.41Å; R37-K40 WeakPolarHBondContact O-CB 3.38Å; R37-K40 PolarHBondContact O-N 3.05Å; R37-K40 VanDerWaalsContact O-N 3.1Å; R37-E41 PolarHBondContact O-N 3.42Å; R37-W210 VanDerWaalsContact NH2-CH2 3.28Å |
| 38 | L | 81 | Confident | 74.7 | Confident | 79 Ų | 79 | 75.3 Ų | 75.3 | 41% | 0.414 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58 | -40.9 | 178.2 | -176.9 | 66.7 | 0 | 0 | 0 | 111.7 | N35 K40 E41 Q42 | N35-L38 HydrophobicContact CB-CB 4.05Å; N35-L38 PolarHBondContact O-N 3.46Å; N35-L38 PolarHBondContact OD1-N 3.43Å; N35-L38 VanDerWaalsContact OD1-N 3.15Å; L38-K40 VanDerWaalsContact C-N 3.32Å; L38-K40 PolarHBondContact O-N 2.94Å; L38-E41 PolarHBondContact O-N 2.95Å; L38-Q42 WeakPolarHBondContact O-CG 3.31Å; L38-Q42 PolarHBondContact O-N 3.49Å |
| 39 | L | 79.1 | Confident | 76.5 | Confident | 38 Ų | 38 | 75.8 Ų | 75.8 | 20% | 0.199 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.8 | -39 | 178.1 | -172 | 66.9 | 0 | 0 | 0 | 112.3 | P33 N35 R37 R43 | P33-L39 HydrophobicContact CB-CB 4.37Å; P33-L39 HydrophobicContact CB-CD2 4.42Å; P33-L39 HydrophobicContact CG-CB 3.85Å; P33-L39 HydrophobicContact CG-CD2 3.73Å; P33-L39 HydrophobicContact CG-CG 4.36Å; N35-L39 PolarHBondContact O-N 2.77Å; R37-L39 VanDerWaalsContact C-N 3.26Å; R37-L39 PolarHBondContact O-N 3.41Å; L39-R43 VanDerWaalsContact CD1-CZ 3.42Å; L39-R43 VanDerWaalsContact O-CB 3.32Å; L39-R43 WeakPolarHBondContact O-CB 3.12Å; L39-R43 VanDerWaalsContact O-CG 3.29Å; L39-R43 WeakPolarHBondContact O-CG 3.43Å; L39-R43 PolarHBondContact O-N 2.96Å |
| 40 | K | 83.2 | Confident | 78.7 | Confident | 53 Ų | 53 | 71 Ų | 71 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 175.5 | -80 | -178 | 154.4 | -74.9 | 0 | 111.4 | P36 R37 L38 Q42 R43 Y44 I200 | P36-K40 PolarHBondContact O-N 3.13Å; R37-K40 WeakPolarHBondContact O-CB 3.38Å; R37-K40 PolarHBondContact O-N 3.05Å; R37-K40 VanDerWaalsContact O-N 3.1Å; L38-K40 VanDerWaalsContact C-N 3.32Å; L38-K40 PolarHBondContact O-N 2.94Å; K40-Q42 VanDerWaalsContact C-N 3.31Å; K40-Q42 PolarHBondContact O-N 3.29Å; K40-R43 PolarHBondContact O-N 2.91Å; K40-R43 VanDerWaalsContact O-N 3.13Å; K40-Y44 PolarHBondContact O-N 2.92Å; K40-I200 HydrophobicContact CD-CG2 3.85Å |
| 41 | E | 83.8 | Confident | 81.2 | Confident | 81 Ų | 81 | 61.5 Ų | 61.5 | 38% | 0.379 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 177.6 | 176 | 162.4 | -141.9 | 0 | 0 | 112.9 | R37 L38 R43 Y44 Y176 | R37-E41 PolarHBondContact O-N 3.42Å; L38-E41 PolarHBondContact O-N 2.95Å; E41-R43 VanDerWaalsContact C-N 3.3Å; E41-R43 PolarHBondContact O-N 3.37Å; E41-Y44 WeakPolarHBondContact O-CD1 3.37Å; E41-Y44 WeakPolarHBondContact O-CE1 3.44Å; E41-Y176 HydrophobicContact CB-CD1 3.87Å; E41-Y176 HydrophobicContact CB-CD2 4.3Å; E41-Y176 HydrophobicContact CB-CE1 3.76Å; E41-Y176 HydrophobicContact CB-CE2 4.25Å; E41-Y176 HydrophobicContact CB-CG 4.1Å; E41-Y176 VanDerWaalsContact CD-OH 3.24Å; E41-Y176 HydrophobicContact CG-CD1 4.09Å; E41-Y176 HydrophobicContact CG-CE1 3.54Å; E41-Y176 PolarHBondContact OE1-OH 3.1Å |
| 42 | Q | 85.1 | Confident | 83.5 | Confident | 132 Ų | 132 | 60.7 Ų | 60.7 | 62% | 0.617 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -72.6 | -22.4 | 176.9 | -71.3 | 174.9 | -14.8 | 0 | 0 | 113.7 | L38 K40 | L38-Q42 WeakPolarHBondContact O-CG 3.31Å; L38-Q42 PolarHBondContact O-N 3.49Å; K40-Q42 VanDerWaalsContact C-N 3.31Å; K40-Q42 PolarHBondContact O-N 3.29Å |
| 43 | R | 85.7 | Confident | 85.6 | Confident | 66 Ų | 66 | 56.2 Ų | 56.2 | 25% | 0.249 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -111.1 | -21.3 | -167.1 | -70.2 | -175.1 | 170.6 | 170.9 | -2.6 | 115.1 | L39 K40 E41 G45 L46 H148 | L39-R43 VanDerWaalsContact CD1-CZ 3.42Å; L39-R43 VanDerWaalsContact O-CB 3.32Å; L39-R43 WeakPolarHBondContact O-CB 3.12Å; L39-R43 VanDerWaalsContact O-CG 3.29Å; L39-R43 WeakPolarHBondContact O-CG 3.43Å; L39-R43 PolarHBondContact O-N 2.96Å; K40-R43 PolarHBondContact O-N 2.91Å; K40-R43 VanDerWaalsContact O-N 3.13Å; E41-R43 VanDerWaalsContact C-N 3.3Å; E41-R43 PolarHBondContact O-N 3.37Å; R43-G45 PolarHBondContact O-N 3.44Å; R43-G45 VanDerWaalsContact O-N 3.16Å; R43-L46 HydrophobicContact CB-CD1 3.99Å; R43-L46 HydrophobicContact CG-CD1 3.92Å; R43-L46 WeakPolarHBondContact O-CB 3.49Å; R43-L46 WeakPolarHBondContact O-CG 3.33Å; R43-L46 PolarHBondContact O-N 3.48Å; R43-H148 PolarHBondContact O-NE2 2.99Å |
| 44 | Y | 84.3 | Confident | 87.6 | Confident | 84 Ų | 84 | 55.1 Ų | 55.1 | 33% | 0.329 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -34.8 | -172.2 | 81.7 | -81.5 | 0 | 0 | 0 | 113.1 | K40 E41 L46 Y176 | K40-Y44 PolarHBondContact O-N 2.92Å; E41-Y44 WeakPolarHBondContact O-CD1 3.37Å; E41-Y44 WeakPolarHBondContact O-CE1 3.44Å; Y44-L46 PolarHBondContact O-N 2.9Å; Y44-Y176 AromaticContact CD1-CD1 3.73Å; Y44-Y176 HydrophobicContact CD1-CD1 3.73Å; Y44-Y176 AromaticContact CE1-CD1 3.84Å; Y44-Y176 HydrophobicContact CE1-CD1 3.84Å; Y44-Y176 HydrophobicContact CE1-CE1 4.31Å; Y44-Y176 HydrophobicContact CG-CD1 4.41Å |
| 45 | G | 90.9 | Very high | 89.1 | Confident | 33 Ų | 33 | 51 Ų | 51 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -14.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R43 S47 A48 | R43-G45 PolarHBondContact O-N 3.44Å; R43-G45 VanDerWaalsContact O-N 3.16Å; G45-S47 PolarHBondContact O-N 3.36Å; G45-A48 PolarHBondContact O-N 2.93Å; G45-A48 VanDerWaalsContact O-N 3.16Å |
| 46 | L | 94.6 | Very high | 90.1 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 12% | 0.115 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.5 | -28.2 | 179.6 | -65.9 | 175.4 | 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 WeakPolarHBondContact O-CB 3.49Å; R43-L46 WeakPolarHBondContact O-CG 3.33Å; R43-L46 PolarHBondContact O-N 3.48Å; Y44-L46 PolarHBondContact O-N 2.9Å; L46-A48 PolarHBondContact O-N 3.32Å; L46-V49 WeakPolarHBondContact O-CB 3.35Å; L46-V49 PolarHBondContact O-N 2.91Å; L46-V49 VanDerWaalsContact O-N 3.15Å; L46-Y50 HydrophobicContact CB-CD2 4.17Å; L46-Y50 HydrophobicContact CB-CE2 3.58Å; L46-Y50 WeakPolarHBondContact O-CD2 3.35Å; L46-Y50 VanDerWaalsContact O-CG 3.23Å; L46-Y50 PolarHBondContact O-N 3.4Å; L46-I141 HydrophobicContact CD2-CD1 4.14Å; L46-I141 HydrophobicContact CD2-CG2 4.43Å; L46-P142 HydrophobicContact CD1-CG 3.94Å |
| 47 | S | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.4 | -39.1 | 174 | -76.8 | 0 | 0 | 0 | 0 | 112.5 | G45 Y50 C51 H148 H178 | G45-S47 PolarHBondContact O-N 3.36Å; S47-Y50 PolarHBondContact O-N 3.34Å; S47-C51 WeakPolarHBondContact O-CB 3.4Å; S47-C51 PolarHBondContact O-N 3.47Å; S47-C51 PolarHBondContact O-SG 3.02Å; S47-H148 PolarHBondContact OG-CD2 3.4Å; S47-H178 WeakPolarHBondContact CB-O 3.28Å; S47-H178 PolarHBondContact OG-O 2.91Å |
| 48 | A | 96.1 | Very high | 91.9 | Very high | 35 Ų | 35 | 50.3 Ų | 50.3 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.5 | -44.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G45 L46 Y50 C51 S52 I181 | G45-A48 PolarHBondContact O-N 2.93Å; G45-A48 VanDerWaalsContact O-N 3.16Å; L46-A48 PolarHBondContact O-N 3.32Å; A48-Y50 VanDerWaalsContact C-N 3.3Å; A48-Y50 PolarHBondContact O-N 2.86Å; A48-C51 PolarHBondContact O-N 3.35Å; A48-S52 PolarHBondContact O-N 3.17Å; A48-S52 PolarHBondContact O-OG 3.35Å; A48-I181 HydrophobicContact CB-CB 4.13Å; A48-I181 HydrophobicContact CB-CD1 4.19Å; A48-I181 HydrophobicContact CB-CG2 4.02Å |
| 49 | V | 96.1 | Very high | 92.6 | Very high | 52 Ų | 52 | 50.8 Ų | 50.8 | 32% | 0.315 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 176 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | L46 S52 A53 F134 I141 | L46-V49 WeakPolarHBondContact O-CB 3.35Å; L46-V49 PolarHBondContact O-N 2.91Å; L46-V49 VanDerWaalsContact O-N 3.15Å; V49-S52 PolarHBondContact O-N 3.09Å; V49-A53 WeakPolarHBondContact O-CB 3.33Å; V49-A53 PolarHBondContact O-N 3.36Å; V49-F134 HydrophobicContact CG1-CE1 3.86Å; V49-F134 HydrophobicContact CG1-CZ 3.74Å; V49-I141 HydrophobicContact CG1-CD1 4.43Å |
| 50 | Y | 97.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.2 | -39.8 | 178.9 | -60.1 | -41.8 | 0 | 0 | 0 | 112.5 | L46 S47 A48 A53 V54 L131 I141 P142 P144 H148 | L46-Y50 HydrophobicContact CB-CD2 4.17Å; L46-Y50 HydrophobicContact CB-CE2 3.58Å; L46-Y50 WeakPolarHBondContact O-CD2 3.35Å; L46-Y50 VanDerWaalsContact O-CG 3.23Å; L46-Y50 PolarHBondContact O-N 3.4Å; S47-Y50 PolarHBondContact O-N 3.34Å; A48-Y50 VanDerWaalsContact C-N 3.3Å; A48-Y50 PolarHBondContact O-N 2.86Å; Y50-A53 PolarHBondContact O-N 3.3Å; Y50-V54 WeakPolarHBondContact O-CG2 3.26Å; Y50-V54 PolarHBondContact O-N 3.43Å; Y50-V54 VanDerWaalsContact O-N 3.09Å; Y50-L131 HydrophobicContact CD1-CD1 4.32Å; Y50-L131 HydrophobicContact CD1-CD2 3.9Å; Y50-L131 HydrophobicContact CG-CD1 4.31Å; Y50-L131 HydrophobicContact CG-CD2 4.37Å; Y50-I141 HydrophobicContact CE1-CG2 3.73Å; Y50-P142 PolarHBondContact OH-O 3.17Å; Y50-P144 HydrophobicContact CD1-CG 4.09Å; Y50-P144 HydrophobicContact CD2-CB 4.15Å; Y50-P144 HydrophobicContact CD2-CG 4.18Å; Y50-P144 HydrophobicContact CE1-CG 3.87Å; Y50-P144 HydrophobicContact CE2-CB 3.79Å; Y50-P144 HydrophobicContact CE2-CG 3.98Å; Y50-P144 HydrophobicContact CG-CG 4.24Å; Y50-H148 HydrophobicContact CD2-CB 3.93Å; Y50-H148 AromaticContact CD2-CD2 3.9Å; Y50-H148 HydrophobicContact CE2-CB 3.9Å; Y50-H148 AromaticContact CE2-CD2 3.74Å; Y50-H148 AromaticContact CE2-CG 3.83Å |
| 51 | C | 98 | Very high | 94.1 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.6 | -50.8 | 171.5 | -75.6 | 0 | 0 | 0 | 0 | 110.9 | S47 A48 A53 V54 G55 I56 | S47-C51 WeakPolarHBondContact O-CB 3.4Å; S47-C51 PolarHBondContact O-N 3.47Å; S47-C51 PolarHBondContact O-SG 3.02Å; A48-C51 PolarHBondContact O-N 3.35Å; C51-A53 VanDerWaalsContact C-N 3.31Å; C51-A53 PolarHBondContact O-N 2.9Å; C51-V54 WeakPolarHBondContact O-CG2 3.46Å; C51-V54 PolarHBondContact O-N 2.94Å; C51-G55 PolarHBondContact O-N 3.23Å; C51-I56 HydrophobicContact CB-CB 4.06Å; C51-I56 HydrophobicContact CB-CD1 4.47Å; C51-I56 HydrophobicContact CB-CG2 4.22Å; C51-I56 WeakPolarHBondContact O-CB 3.33Å; C51-I56 PolarHBondContact O-N 3.34Å |
| 52 | S | 97.2 | Very high | 94.7 | Very high | 74 Ų | 74 | 50.3 Ų | 50.3 | 52% | 0.517 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 177.8 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | A48 V49 V54 G55 | A48-S52 PolarHBondContact O-N 3.17Å; A48-S52 PolarHBondContact O-OG 3.35Å; V49-S52 PolarHBondContact O-N 3.09Å; S52-V54 VanDerWaalsContact C-N 3.28Å; S52-V54 PolarHBondContact O-N 3.17Å; S52-G55 PolarHBondContact O-N 3.33Å |
| 53 | A | 97 | Very high | 95.2 | Very high | 24 Ų | 24 | 47.9 Ų | 47.9 | 20% | 0.198 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64 | -30.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V49 Y50 C51 G55 T130 L131 F134 | V49-A53 WeakPolarHBondContact O-CB 3.33Å; V49-A53 PolarHBondContact O-N 3.36Å; Y50-A53 PolarHBondContact O-N 3.3Å; C51-A53 VanDerWaalsContact C-N 3.31Å; C51-A53 PolarHBondContact O-N 2.9Å; A53-G55 VanDerWaalsContact C-N 3.28Å; A53-T130 VanDerWaalsContact O-CG2 3.25Å; A53-T130 WeakPolarHBondContact O-CG2 3.47Å; A53-L131 HydrophobicContact CB-CD2 3.66Å; A53-F134 HydrophobicContact CB-CB 4.27Å; A53-F134 HydrophobicContact CB-CD1 3.72Å; A53-F134 HydrophobicContact CB-CD2 3.74Å; A53-F134 HydrophobicContact CB-CE1 3.9Å; A53-F134 HydrophobicContact CB-CE2 3.91Å; A53-F134 HydrophobicContact CB-CG 3.63Å; A53-F134 HydrophobicContact CB-CZ 3.99Å |
| 54 | V | 97.7 | Very high | 95.8 | Very high | 24 Ų | 24 | 45 Ų | 45 | 15% | 0.145 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 9.7 | 173.8 | -56.4 | 0 | 0 | 0 | 0 | 113.6 | Y50 C51 S52 I56 V127 T130 L131 V152 | Y50-V54 WeakPolarHBondContact O-CG2 3.26Å; Y50-V54 PolarHBondContact O-N 3.43Å; Y50-V54 VanDerWaalsContact O-N 3.09Å; C51-V54 WeakPolarHBondContact O-CG2 3.46Å; C51-V54 PolarHBondContact O-N 2.94Å; S52-V54 VanDerWaalsContact C-N 3.28Å; S52-V54 PolarHBondContact O-N 3.17Å; V54-I56 HydrophobicContact CG2-CD1 3.73Å; V54-I56 HydrophobicContact CG2-CG1 3.97Å; 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 4.33Å; V54-L131 HydrophobicContact CG1-CD2 3.89Å; V54-L131 HydrophobicContact CG1-CG 3.87Å; V54-V152 HydrophobicContact CG1-CG1 4.1Å; V54-V152 HydrophobicContact CG2-CG1 3.62Å |
| 55 | G | 97.6 | Very high | 96.4 | Very high | 52 Ų | 52 | 44 Ų | 44 | 54% | 0.536 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 19.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | C51 S52 A53 Q60 | C51-G55 PolarHBondContact O-N 3.23Å; S52-G55 PolarHBondContact O-N 3.33Å; A53-G55 VanDerWaalsContact C-N 3.28Å; G55-Q60 PolarHBondContact O-OE1 3.16Å |
| 56 | I | 98.2 | Very high | 96.8 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.046 | 24% | 0.24 | C | C | . | . | trans | -86.4 | 118.7 | 170.7 | -65.2 | 166.3 | 0 | 0 | 0 | 108.9 | C51 V54 L61 C155 K156 I159 | C51-I56 HydrophobicContact CB-CB 4.06Å; C51-I56 HydrophobicContact CB-CD1 4.47Å; C51-I56 HydrophobicContact CB-CG2 4.22Å; C51-I56 WeakPolarHBondContact O-CB 3.33Å; C51-I56 PolarHBondContact O-N 3.34Å; V54-I56 HydrophobicContact CG2-CD1 3.73Å; V54-I56 HydrophobicContact CG2-CG1 3.97Å; I56-L61 HydrophobicContact CG2-CD1 4.23Å; I56-L61 HydrophobicContact CG2-CD2 3.78Å; I56-L61 HydrophobicContact CG2-CG 3.73Å; I56-C155 HydrophobicContact CD1-CB 3.91Å; I56-K156 HydrophobicContact CD1-CB 4.08Å; I56-I159 HydrophobicContact CB-CD1 4.29Å; I56-I159 HydrophobicContact CD1-CD1 4.22Å; I56-I159 HydrophobicContact CG1-CD1 3.93Å; I56-I159 HydrophobicContact CG2-CD1 3.47Å; I56-I159 VanDerWaalsContact CG2-CD1 3.47Å | ||
| 57 | E | 96.2 | Very high | 97 | Very high | 131 Ų | 131 | 41.7 Ų | 41.7 | 61% | 0.612 | 23% | 0.234 | S | C | * | . | trans | -87.1 | 154.5 | 177.2 | -61.4 | -178.7 | -178.7 | 0 | 0 | 112.1 | Q59 Q60 L61 | E57-Q59 PolarHBondContact O-N 3.39Å; E57-Q60 HydrophobicContact CB-CG 4.32Å; E57-Q60 PolarHBondContact O-N 3.38Å; E57-Q60 VanDerWaalsContact O-N 3.1Å; E57-L61 PolarHBondContact O-N 3.42Å | ||
| 58 | D | 94.6 | Very high | 97.2 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 35% | 0.348 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.3 | -35.4 | 176.8 | -83.1 | 2.3 | 0 | 0 | 0 | 112.7 | L61 R62 K183 | D58-L61 PolarHBondContact O-N 3.27Å; D58-R62 PolarHBondContact O-N 3.25Å; D58-R62 VanDerWaalsContact O-N 3.13Å; D58-K183 IonicContact OD2-NZ 3.51Å; D58-K183 PolarHBondContact OD2-NZ 2.86Å |
| 59 | Q | 96.2 | Very high | 97.3 | Very high | 88 Ų | 88 | 40.1 Ų | 40.1 | 41% | 0.411 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 178.4 | -174 | 60.5 | 48.1 | 0 | 0 | 111.4 | E57 L61 R62 D63 | E57-Q59 PolarHBondContact O-N 3.39Å; Q59-L61 PolarHBondContact O-N 3.35Å; Q59-R62 WeakPolarHBondContact O-CB 3.17Å; Q59-R62 PolarHBondContact O-N 3.28Å; Q59-R62 VanDerWaalsContact OE1-NE 3.15Å; Q59-D63 PolarHBondContact NE2-OD1 3.08Å; Q59-D63 PolarHBondContact O-N 2.65Å |
| 60 | Q | 97.6 | Very high | 97.4 | Very high | 63 Ų | 63 | 37.7 Ų | 37.7 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.2 | -32.6 | 178 | -61.2 | 175.2 | -70 | 0 | 0 | 111.8 | G55 E57 I159 | G55-Q60 PolarHBondContact O-OE1 3.16Å; E57-Q60 HydrophobicContact CB-CG 4.32Å; E57-Q60 PolarHBondContact O-N 3.38Å; E57-Q60 VanDerWaalsContact O-N 3.1Å; Q60-I159 HydrophobicContact CB-CD1 3.78Å; Q60-I159 HydrophobicContact CB-CG1 4.18Å; Q60-I159 HydrophobicContact CB-CG2 4.38Å |
| 61 | L | 97 | Very high | 97.4 | Very high | 15 Ų | 15 | 37.6 Ų | 37.6 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.1 | -35.6 | 173.2 | -67.2 | 176.4 | 0 | 0 | 0 | 112.5 | I56 E57 D58 Q59 L64 C155 I159 I181 F182 | I56-L61 HydrophobicContact CG2-CD1 4.23Å; I56-L61 HydrophobicContact CG2-CD2 3.78Å; I56-L61 HydrophobicContact CG2-CG 3.73Å; E57-L61 PolarHBondContact O-N 3.42Å; D58-L61 PolarHBondContact O-N 3.27Å; Q59-L61 PolarHBondContact O-N 3.35Å; L61-L64 HydrophobicContact CD2-CD1 4.43Å; L61-L64 PolarHBondContact O-N 2.62Å; L61-C155 HydrophobicContact CD2-CB 4.05Å; L61-I159 HydrophobicContact CD2-CD1 4.35Å; L61-I181 HydrophobicContact CD1-CD1 4.06Å; L61-F182 HydrophobicContact CD2-CE1 4.44Å |
| 62 | R | 95.2 | Very high | 97.1 | Very high | 84 Ų | 84 | 37.8 Ų | 37.8 | 32% | 0.317 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.2 | -40.6 | 174.2 | -75.6 | -168.6 | -69.6 | -87.2 | 2.7 | 112.2 | D58 Q59 L64 H65 D184 | D58-R62 PolarHBondContact O-N 3.25Å; D58-R62 VanDerWaalsContact O-N 3.13Å; Q59-R62 WeakPolarHBondContact O-CB 3.17Å; Q59-R62 PolarHBondContact O-N 3.28Å; Q59-R62 VanDerWaalsContact OE1-NE 3.15Å; R62-L64 PolarHBondContact O-N 3.37Å; R62-H65 PolarHBondContact O-N 3.33Å; R62-D184 WeakPolarHBondContact CD-OD2 3.2Å; R62-D184 VanDerWaalsContact CG-OD1 3.3Å; R62-D184 WeakPolarHBondContact CG-OD1 3.44Å |
| 63 | D | 96.4 | Very high | 96.8 | Very high | 82 Ų | 82 | 37.1 Ų | 37.1 | 44% | 0.439 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -11 | -179 | -62.3 | -17.4 | 0 | 0 | 0 | 113.1 | Q59 H65 | Q59-D63 PolarHBondContact NE2-OD1 3.08Å; Q59-D63 PolarHBondContact O-N 2.65Å; D63-H65 VanDerWaalsContact C-N 3.27Å; D63-H65 PolarHBondContact O-CE1 3.43Å; D63-H65 PolarHBondContact O-N 3.47Å; D63-H65 PolarHBondContact O-ND1 3.37Å |
| 64 | L | 97.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 0.4 | 171 | -62.5 | 178.6 | 0 | 0 | 0 | 113.5 | L61 R62 I66 F158 I159 V163 V165 G166 | L61-L64 HydrophobicContact CD2-CD1 4.43Å; L61-L64 PolarHBondContact O-N 2.62Å; R62-L64 PolarHBondContact O-N 3.37Å; L64-I66 HydrophobicContact CB-CD1 3.59Å; L64-I66 HydrophobicContact CB-CG1 4.39Å; L64-I66 HydrophobicContact CD1-CD1 4.18Å; L64-I66 PolarHBondContact O-N 2.94Å; L64-F158 HydrophobicContact CD1-CB 4.13Å; L64-F158 HydrophobicContact CD2-CB 3.85Å; L64-I159 HydrophobicContact CD1-CG1 4.22Å; L64-I159 HydrophobicContact CD2-CG1 4.28Å; L64-I159 HydrophobicContact CG-CG1 4.4Å; L64-V163 HydrophobicContact CD2-CB 4.3Å; L64-V163 HydrophobicContact CD2-CG1 4.41Å; L64-V165 CarbonylContact O-C 3.55Å; L64-V165 VanDerWaalsContact O-CA 3.27Å; L64-V165 WeakPolarHBondContact O-CA 3.11Å; L64-G166 PolarHBondContact O-N 2.58Å |
| 65 | H | 97.7 | Very high | 96.5 | Very high | 64 Ų | 64 | 37.1 Ų | 37.1 | 30% | 0.296 | 19% | 0.194 | S | C | . | . | trans | 42.8 | 61.2 | 177.2 | -54.1 | 104.8 | 0 | 0 | 0 | 113.5 | R62 D63 D164 W294 L298 | R62-H65 PolarHBondContact O-N 3.33Å; D63-H65 VanDerWaalsContact C-N 3.27Å; D63-H65 PolarHBondContact O-CE1 3.43Å; D63-H65 PolarHBondContact O-N 3.47Å; D63-H65 PolarHBondContact O-ND1 3.37Å; H65-D164 PolarHBondContact ND1-O 2.8Å; H65-W294 HydrophobicContact CB-CZ2 3.71Å; H65-W294 PolarHBondContact O-NE1 2.89Å; H65-L298 HydrophobicContact CB-CD1 4.36Å; H65-L298 VanDerWaalsContact CD2-CD1 3.44Å; H65-L298 WeakPolarHBondContact CD2-CD1 3.49Å | ||
| 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 | -62.5 | 137.5 | -160.5 | -56.6 | -70.2 | 0 | 0 | 0 | 113.6 | L64 H68 G166 F168 F182 P185 C186 V187 | L64-I66 HydrophobicContact CB-CD1 3.59Å; L64-I66 HydrophobicContact CB-CG1 4.39Å; L64-I66 HydrophobicContact CD1-CD1 4.18Å; L64-I66 PolarHBondContact O-N 2.94Å; I66-H68 HydrophobicContact CG2-CB 4.24Å; I66-G166 WeakPolarHBondContact CA-O 3.03Å; I66-F168 HydrophobicContact CD1-CD2 3.85Å; I66-F168 HydrophobicContact CD1-CE2 3.34Å; I66-F168 HydrophobicContact CD1-CZ 4.24Å; I66-F168 HydrophobicContact CG2-CD2 4Å; I66-F182 HydrophobicContact CD1-CD1 4Å; I66-F182 HydrophobicContact CD1-CE1 3.65Å; I66-F182 HydrophobicContact CD1-CZ 3.97Å; I66-F182 HydrophobicContact CG1-CD1 3.79Å; I66-F182 HydrophobicContact CG1-CE1 3.99Å; I66-F182 HydrophobicContact CG1-CG 4.14Å; I66-F182 HydrophobicContact CG1-CZ 4.49Å; I66-F182 HydrophobicContact CG2-CD1 4.41Å; I66-F182 HydrophobicContact CG2-CD2 3.77Å; I66-F182 HydrophobicContact CG2-CE2 3.95Å; I66-F182 HydrophobicContact CG2-CG 4.01Å; I66-F182 HydrophobicContact CG2-CZ 4.35Å; I66-P185 HydrophobicContact CB-CB 3.95Å; I66-P185 HydrophobicContact CG2-CB 3.91Å; I66-C186 PolarHBondContact O-N 3.12Å; I66-V187 PolarHBondContact O-N 3.07Å | ||
| 67 | I | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 117.4 | 160.5 | -59.1 | 174.4 | 0 | 0 | 0 | 108.4 | V69 I82 L86 V165 G166 I167 F168 V187 V189 T290 W294 | I67-V69 HydrophobicContact CG2-CG2 3.96Å; I67-I82 HydrophobicContact CD1-CG2 3.55Å; I67-I82 HydrophobicContact CG2-CD1 4.28Å; I67-L86 HydrophobicContact CD1-CD1 3.75Å; I67-V165 HydrophobicContact CD1-CG2 3.95Å; I67-V165 HydrophobicContact CG1-CG2 4.17Å; I67-G166 PolarHBondContact N-O 3.28Å; I67-I167 HydrophobicContact CB-CG1 4.4Å; I67-I167 HydrophobicContact CD1-CG1 4.46Å; I67-I167 WeakPolarHBondContact O-CA 3.45Å; I67-F168 PolarHBondContact O-N 3.43Å; I67-V187 WeakPolarHBondContact CA-O 3.35Å; I67-V189 HydrophobicContact CG2-CG2 4.25Å; I67-T290 HydrophobicContact CD1-CG2 4.42Å; I67-T290 HydrophobicContact CG2-CG2 3.82Å; I67-W294 HydrophobicContact CD1-CB 4.11Å; I67-W294 HydrophobicContact CD1-CD2 4.29Å; I67-W294 HydrophobicContact CD1-CG 3.72Å; I67-W294 HydrophobicContact CG1-CB 4.47Å; I67-W294 HydrophobicContact CG1-CG 3.95Å |
| 68 | H | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 117.7 | -175.2 | -161.4 | -167.2 | 0 | 0 | 0 | 111.1 | I66 F168 V170 T179 P185 V187 T188 V189 I215 | I66-H68 HydrophobicContact CG2-CB 4.24Å; H68-F168 PolarHBondContact CD2-O 3.1Å; H68-V170 VanDerWaalsContact NE2-CG2 3.28Å; H68-V170 WeakPolarHBondContact NE2-CG2 3.33Å; H68-T179 WeakPolarHBondContact NE2-CB 3.39Å; H68-T179 PolarHBondContact NE2-OG1 3.14Å; H68-P185 HydrophobicContact CB-CB 4.46Å; H68-V187 PolarHBondContact N-O 2.84Å; H68-T188 HydrophobicContact CB-CG2 4.37Å; H68-T188 CarbonylContact O-C 3.45Å; H68-T188 WeakPolarHBondContact O-CA 3.37Å; H68-V189 PolarHBondContact O-N 3.22Å; H68-I215 HydrophobicContact CB-CD1 4.42Å; H68-I215 WeakPolarHBondContact O-CD1 3.41Å |
| 69 | V | 98.9 | Very high | 96.5 | 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 | -118.2 | 123.9 | -168.3 | -173.3 | 0 | 0 | 0 | 0 | 111.4 | I67 V78 C79 I82 F168 V170 V189 T191 | I67-V69 HydrophobicContact CG2-CG2 3.96Å; V69-V78 HydrophobicContact CG1-CG1 4.18Å; V69-C79 VanDerWaalsContact CB-SG 3.54Å; V69-C79 VanDerWaalsContact CG2-SG 3.58Å; V69-I82 HydrophobicContact CG2-CD1 4.44Å; V69-F168 PolarHBondContact N-O 2.58Å; V69-V170 WeakPolarHBondContact O-CB 3.47Å; V69-V170 PolarHBondContact O-N 3.35Å; V69-V189 HydrophobicContact CB-CB 4.36Å; V69-V189 HydrophobicContact CG1-CB 4.17Å; V69-V189 HydrophobicContact CG1-CG1 4.28Å; V69-V189 HydrophobicContact CG2-CB 4.07Å; V69-V189 HydrophobicContact CG2-CG2 4.25Å; V69-T191 HydrophobicContact CG1-CG2 4.01Å |
| 70 | T | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | -179.3 | 169.1 | -165.5 | 0 | 0 | 0 | 0 | 112 | G173 V189 V190 T191 K212 I215 | T70-G173 PolarHBondContact OG1-O 2.87Å; T70-V189 PolarHBondContact N-O 2.89Å; T70-V190 HydrophobicContact CG2-CB 4.36Å; T70-V190 HydrophobicContact CG2-CG1 4.17Å; T70-V190 HydrophobicContact CG2-CG2 3.89Å; T70-V190 WeakPolarHBondContact O-CA 3.16Å; T70-T191 WeakPolarHBondContact O-CG2 3.25Å; T70-T191 PolarHBondContact O-N 3.39Å; T70-K212 HydrophobicContact CG2-CB 3.71Å; T70-K212 HydrophobicContact CG2-CG 4.1Å; T70-I215 HydrophobicContact CG2-CD1 3.64Å; T70-I215 HydrophobicContact CG2-CG1 4.17Å |
| 71 | G | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | 137.9 | 170.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K75 T191 K212 | G71-K75 VanDerWaalsContact O-CD 3.28Å; G71-K75 WeakPolarHBondContact O-CD 3.29Å; G71-K75 PolarHBondContact O-NZ 3.5Å; G71-T191 VanDerWaalsContact CA-OG1 3.32Å; G71-T191 WeakPolarHBondContact CA-OG1 3.48Å; G71-K212 PolarHBondContact O-NZ 3.35Å | ||
| 72 | S | 93 | Very high | 96.7 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 4% | 0.042 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -88.7 | -37.9 | -178.2 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | S192 A194 E196 K212 | S72-S192 WeakPolarHBondContact CA-O 3.44Å; S72-S192 WeakPolarHBondContact CB-O 3.48Å; S72-S192 PolarHBondContact N-O 3.03Å; S72-A194 VanDerWaalsContact CB-N 3.29Å; S72-A194 PolarHBondContact OG-N 2.61Å; S72-A194 PolarHBondContact OG-O 2.88Å; S72-A194 VanDerWaalsContact OG-O 3.04Å; S72-E196 WeakPolarHBondContact CA-OE1 3.26Å; S72-E196 VanDerWaalsContact CB-CD 3.43Å; S72-E196 WeakPolarHBondContact CB-OE1 3.5Å; S72-E196 PolarHBondContact OG-OE1 3.5Å; S72-K212 VanDerWaalsContact OG-CE 3.23Å; S72-K212 WeakPolarHBondContact OG-CE 3.3Å |
| 73 | K | 90.1 | Very high | 96.8 | Very high | 60 Ų | 60 | 15.6 Ų | 15.6 | 26% | 0.261 | 9% | 0.085 | S | C | . | . | B | Isolated β-bridge | trans | -133.9 | 142.8 | 178.7 | -58.6 | -66.6 | 174.4 | -173.4 | 0 | 110.5 | T191 S192 H353 | K73-T191 VanDerWaalsContact O-CB 3.23Å; K73-T191 WeakPolarHBondContact O-CB 3.2Å; K73-T191 PolarHBondContact O-OG1 3.28Å; K73-S192 PolarHBondContact N-O 3.05Å; K73-S192 PolarHBondContact O-OG 3.27Å; K73-H353 PolarHBondContact NZ-NE2 3.39Å |
| 74 | G | 92.6 | Very high | 96.9 | Very high | 19 Ų | 19 | 12.2 Ų | 12.2 | 20% | 0.196 | 7% | 0.067 | C | C | . | . | S | Bend | trans | 92.3 | -7.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | G76 S77 V78 N283 | G74-G76 PolarHBondContact O-N 2.93Å; G74-S77 WeakPolarHBondContact O-CA 3.44Å; G74-S77 WeakPolarHBondContact O-CB 3.33Å; G74-S77 PolarHBondContact O-N 3.42Å; G74-V78 WeakPolarHBondContact O-CG2 3.38Å; G74-V78 PolarHBondContact O-N 3.09Å; G74-N283 WeakPolarHBondContact CA-ND2 3.4Å |
| 75 | K | 95.8 | Very high | 97 | Very high | 28 Ų | 28 | 12 Ų | 12 | 12% | 0.122 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -43.2 | -66.7 | 178.3 | -66.8 | -170.5 | -62.1 | -65.7 | 0 | 113.8 | G71 S77 V78 C79 E169 V170 T191 | G71-K75 VanDerWaalsContact O-CD 3.28Å; G71-K75 WeakPolarHBondContact O-CD 3.29Å; G71-K75 PolarHBondContact O-NZ 3.5Å; K75-S77 VanDerWaalsContact C-N 3.28Å; K75-S77 PolarHBondContact O-N 3.46Å; K75-V78 PolarHBondContact O-N 2.9Å; K75-V78 VanDerWaalsContact O-N 3.11Å; K75-C79 PolarHBondContact O-N 3.1Å; K75-C79 PolarHBondContact O-SG 3.27Å; K75-E169 HydrophobicContact CB-CG 3.97Å; K75-E169 WeakPolarHBondContact CB-OE1 3.48Å; K75-E169 HydrophobicContact CD-CG 4.21Å; K75-V170 VanDerWaalsContact CE-O 3.31Å; K75-V170 WeakPolarHBondContact CE-O 3.22Å; K75-T191 HydrophobicContact CG-CG2 4.47Å |
| 76 | G | 95 | Very high | 97 | Very high | 8 Ų | 8 | 9 Ų | 9 | 8% | 0.082 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -57.9 | -32.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G74 S80 E169 | G74-G76 PolarHBondContact O-N 2.93Å; G76-S80 VanDerWaalsContact O-CB 3.25Å; G76-S80 WeakPolarHBondContact O-CB 3.3Å; G76-S80 PolarHBondContact O-N 3.21Å; G76-E169 PolarHBondContact N-OE1 2.67Å |
| 77 | S | 94.7 | Very high | 97 | Very high | 10 Ų | 10 | 11.8 Ų | 11.8 | 7% | 0.07 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.9 | -46.1 | 173.9 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | G74 K75 S80 M81 | G74-S77 WeakPolarHBondContact O-CA 3.44Å; G74-S77 WeakPolarHBondContact O-CB 3.33Å; G74-S77 PolarHBondContact O-N 3.42Å; K75-S77 VanDerWaalsContact C-N 3.28Å; K75-S77 PolarHBondContact O-N 3.46Å; S77-S80 PolarHBondContact O-N 3.44Å; S77-M81 VanDerWaalsContact O-CG 3.3Å; S77-M81 WeakPolarHBondContact O-CG 3.38Å; S77-M81 PolarHBondContact O-N 2.91Å |
| 78 | V | 98 | Very high | 97 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 177.3 | 168 | 0 | 0 | 0 | 0 | 110.3 | V69 G74 K75 S80 M81 I82 V189 T191 N283 L286 S287 | V69-V78 HydrophobicContact CG1-CG1 4.18Å; G74-V78 WeakPolarHBondContact O-CG2 3.38Å; G74-V78 PolarHBondContact O-N 3.09Å; K75-V78 PolarHBondContact O-N 2.9Å; K75-V78 VanDerWaalsContact O-N 3.11Å; V78-S80 VanDerWaalsContact C-N 3.31Å; V78-S80 PolarHBondContact O-N 3.08Å; V78-M81 PolarHBondContact O-N 3.37Å; V78-I82 HydrophobicContact CG1-CD1 3.57Å; V78-I82 HydrophobicContact CG1-CG1 4.39Å; V78-I82 WeakPolarHBondContact O-CB 3.18Å; V78-I82 WeakPolarHBondContact O-CD1 3.41Å; V78-I82 VanDerWaalsContact O-CG1 3.26Å; V78-I82 WeakPolarHBondContact O-CG1 3.47Å; V78-I82 PolarHBondContact O-N 2.96Å; V78-V189 HydrophobicContact CG1-CG1 4.34Å; V78-T191 HydrophobicContact CB-CG2 4.05Å; V78-T191 HydrophobicContact CG1-CG2 4.35Å; V78-T191 HydrophobicContact CG2-CG2 3.73Å; V78-N283 HydrophobicContact CG2-CB 3.61Å; V78-L286 HydrophobicContact CG1-CD2 4.45Å; V78-L286 HydrophobicContact CG1-CG 4.48Å; V78-L286 HydrophobicContact CG2-CD2 4.16Å; V78-S287 WeakPolarHBondContact CA-OG 3.31Å; V78-S287 PolarHBondContact O-OG 3.44Å |
| 79 | C | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.8 | -43 | 175.1 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | V69 K75 M81 I82 E83 F95 I167 | V69-C79 VanDerWaalsContact CB-SG 3.54Å; V69-C79 VanDerWaalsContact CG2-SG 3.58Å; K75-C79 PolarHBondContact O-N 3.1Å; K75-C79 PolarHBondContact O-SG 3.27Å; C79-M81 PolarHBondContact O-N 3.41Å; C79-I82 PolarHBondContact O-N 3.31Å; C79-E83 VanDerWaalsContact O-CB 3.25Å; C79-E83 WeakPolarHBondContact O-CB 3.18Å; C79-E83 PolarHBondContact O-N 2.91Å; C79-F95 HydrophobicContact CB-CD2 4.04Å; C79-F95 HydrophobicContact CB-CE1 3.88Å; C79-F95 HydrophobicContact CB-CE2 3.32Å; C79-F95 HydrophobicContact CB-CZ 3.23Å; C79-I167 HydrophobicContact CB-CG2 3.85Å |
| 80 | S | 97.6 | Very high | 96.8 | Very high | 8 Ų | 8 | 22.5 Ų | 22.5 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.9 | -36.3 | 178.1 | 179.7 | 0 | 0 | 0 | 0 | 113 | G76 S77 V78 N84 R332 | G76-S80 VanDerWaalsContact O-CB 3.25Å; G76-S80 WeakPolarHBondContact O-CB 3.3Å; G76-S80 PolarHBondContact O-N 3.21Å; S77-S80 PolarHBondContact O-N 3.44Å; V78-S80 VanDerWaalsContact C-N 3.31Å; V78-S80 PolarHBondContact O-N 3.08Å; S80-N84 WeakPolarHBondContact O-CB 3.5Å; S80-N84 PolarHBondContact O-N 3.37Å; S80-N84 VanDerWaalsContact O-N 3.07Å; S80-R332 PolarHBondContact OG-O 3Å |
| 81 | M | 98.1 | Very high | 96.8 | Very high | 22 Ų | 22 | 24.6 Ų | 24.6 | 11% | 0.108 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69 | -47.9 | 176 | -72.8 | 169.8 | -177.6 | 0 | 0 | 110.5 | S77 V78 C79 E83 N84 I85 N283 L284 S287 A331 | S77-M81 VanDerWaalsContact O-CG 3.3Å; S77-M81 WeakPolarHBondContact O-CG 3.38Å; S77-M81 PolarHBondContact O-N 2.91Å; V78-M81 PolarHBondContact O-N 3.37Å; C79-M81 PolarHBondContact O-N 3.41Å; M81-E83 PolarHBondContact O-N 3.25Å; M81-N84 PolarHBondContact O-N 3.11Å; M81-I85 WeakPolarHBondContact O-CD1 3.47Å; M81-I85 WeakPolarHBondContact O-CG1 3.37Å; M81-I85 PolarHBondContact O-N 3.15Å; M81-N283 HydrophobicContact SD-CB 4.29Å; M81-L284 HydrophobicContact SD-CB 4.28Å; M81-L284 HydrophobicContact SD-CD1 4.35Å; M81-S287 WeakPolarHBondContact CB-OG 3.32Å; M81-A331 HydrophobicContact CB-CB 4.36Å; M81-A331 HydrophobicContact CG-CB 3.87Å |
| 82 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.6 | -50.4 | 175.3 | -67.2 | 163.6 | 0 | 0 | 0 | 110.6 | I67 V69 V78 C79 N84 I85 L86 I167 T290 V291 | I67-I82 HydrophobicContact CD1-CG2 3.55Å; I67-I82 HydrophobicContact CG2-CD1 4.28Å; V69-I82 HydrophobicContact CG2-CD1 4.44Å; V78-I82 HydrophobicContact CG1-CD1 3.57Å; V78-I82 HydrophobicContact CG1-CG1 4.39Å; V78-I82 WeakPolarHBondContact O-CB 3.18Å; V78-I82 WeakPolarHBondContact O-CD1 3.41Å; V78-I82 VanDerWaalsContact O-CG1 3.26Å; V78-I82 WeakPolarHBondContact O-CG1 3.47Å; V78-I82 PolarHBondContact O-N 2.96Å; C79-I82 PolarHBondContact O-N 3.31Å; I82-N84 VanDerWaalsContact C-N 3.33Å; I82-N84 PolarHBondContact O-N 3.35Å; I82-I85 PolarHBondContact O-N 3.15Å; I82-L86 HydrophobicContact CG2-CD1 3.79Å; I82-L86 HydrophobicContact CG2-CG 4.44Å; I82-L86 WeakPolarHBondContact O-CG 3.27Å; I82-L86 PolarHBondContact O-N 3.16Å; I82-I167 HydrophobicContact CG2-CD1 3.91Å; I82-I167 HydrophobicContact CG2-CG1 4.28Å; I82-T290 HydrophobicContact CD1-CG2 3.66Å; I82-T290 HydrophobicContact CG1-CG2 4.27Å; I82-V291 HydrophobicContact CB-CG2 4.33Å; I82-V291 HydrophobicContact CG1-CG2 4.28Å; I82-V291 HydrophobicContact CG2-CG2 4.01Å |
| 83 | E | 98.7 | Very high | 97.2 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.9 | -48.3 | 178.2 | -173 | -72.8 | 145.4 | 0 | 0 | 111.3 | C79 M81 I85 L86 R87 T93 F95 G112 I167 | C79-E83 VanDerWaalsContact O-CB 3.25Å; C79-E83 WeakPolarHBondContact O-CB 3.18Å; C79-E83 PolarHBondContact O-N 2.91Å; M81-E83 PolarHBondContact O-N 3.25Å; E83-I85 PolarHBondContact O-N 2.67Å; E83-L86 PolarHBondContact O-N 2.58Å; E83-R87 VanDerWaalsContact O-CB 3.26Å; E83-R87 WeakPolarHBondContact O-CB 3.38Å; E83-R87 PolarHBondContact O-N 3.09Å; E83-R87 WeakPolarHBondContact OE1-CD 3.34Å; E83-R87 IonicContact OE1-CZ 2.62Å; E83-R87 IonicContact OE1-NE 3.97Å; E83-R87 PolarHBondContact OE1-NE 3.36Å; E83-R87 IonicContact OE1-NH2 3.37Å; E83-R87 IonicContact OE2-CZ 3.37Å; E83-R87 IonicContact OE2-NE 3.78Å; E83-R87 PolarHBondContact OE2-NE 3.32Å; E83-R87 IonicContact OE2-NH2 2.67Å; E83-R87 PolarHBondContact OE2-NH2 2.82Å; E83-T93 HydrophobicContact CG-CG2 4.37Å; E83-T93 PolarHBondContact OE1-OG1 3.06Å; E83-F95 HydrophobicContact CG-CB 4.32Å; E83-G112 VanDerWaalsContact OE1-CA 3.27Å; E83-G112 WeakPolarHBondContact OE1-CA 3.49Å; E83-G112 PolarHBondContact OE1-N 2.96Å; E83-I167 VanDerWaalsContact CA-CD1 3.47Å; E83-I167 HydrophobicContact CB-CD1 3.64Å; E83-I167 HydrophobicContact CG-CD1 4.19Å |
| 84 | N | 98.5 | Very high | 97.6 | Very high | 11 Ų | 11 | 25.4 Ų | 25.4 | 6% | 0.059 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.5 | -39.3 | -177.2 | -167.7 | 55.5 | 0 | 0 | 0 | 111.2 | S80 M81 I82 R87 Q88 N327 S330 A331 | S80-N84 WeakPolarHBondContact O-CB 3.5Å; S80-N84 PolarHBondContact O-N 3.37Å; S80-N84 VanDerWaalsContact O-N 3.07Å; M81-N84 PolarHBondContact O-N 3.11Å; I82-N84 VanDerWaalsContact C-N 3.33Å; I82-N84 PolarHBondContact O-N 3.35Å; N84-R87 PolarHBondContact OD1-NH2 3.31Å; N84-Q88 VanDerWaalsContact O-CB 3.29Å; N84-Q88 WeakPolarHBondContact O-CB 3.22Å; N84-Q88 WeakPolarHBondContact O-CG 3.32Å; N84-Q88 PolarHBondContact O-N 2.93Å; N84-N327 PolarHBondContact ND2-O 3Å; N84-S330 PolarHBondContact ND2-OG 3.05Å; N84-A331 HydrophobicContact CB-CB 3.91Å; N84-A331 PolarHBondContact ND2-N 3.19Å |
| 85 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.3 | -53.8 | 175.4 | -62.4 | 157.3 | 0 | 0 | 0 | 110 | M81 I82 E83 R87 Q88 S89 L288 V291 V324 N327 A328 | M81-I85 WeakPolarHBondContact O-CD1 3.47Å; M81-I85 WeakPolarHBondContact O-CG1 3.37Å; M81-I85 PolarHBondContact O-N 3.15Å; I82-I85 PolarHBondContact O-N 3.15Å; E83-I85 PolarHBondContact O-N 2.67Å; I85-R87 PolarHBondContact O-N 2.73Å; I85-Q88 PolarHBondContact O-N 3.28Å; I85-S89 PolarHBondContact O-N 3.16Å; I85-S89 PolarHBondContact O-OG 3.28Å; I85-S89 VanDerWaalsContact O-OG 3.05Å; I85-L288 HydrophobicContact CD1-CD2 4.25Å; I85-V291 HydrophobicContact CB-CG2 4.15Å; I85-V291 HydrophobicContact CD1-CG2 3.95Å; I85-V291 HydrophobicContact CG2-CB 4.39Å; I85-V291 HydrophobicContact CG2-CG1 3.81Å; I85-V291 HydrophobicContact CG2-CG2 4.13Å; I85-V324 HydrophobicContact CG2-CG1 3.98Å; I85-N327 HydrophobicContact CG1-CB 4.37Å; I85-A328 HydrophobicContact CD1-CB 3.57Å; I85-A328 HydrophobicContact CG1-CB 3.71Å |
| 86 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | -175 | -67.2 | 176 | 0 | 0 | 0 | 112.1 | I67 I82 E83 Q88 S89 G90 F91 T93 V165 V291 W294 | I67-L86 HydrophobicContact CD1-CD1 3.75Å; I82-L86 HydrophobicContact CG2-CD1 3.79Å; I82-L86 HydrophobicContact CG2-CG 4.44Å; I82-L86 WeakPolarHBondContact O-CG 3.27Å; I82-L86 PolarHBondContact O-N 3.16Å; E83-L86 PolarHBondContact O-N 2.58Å; L86-Q88 PolarHBondContact O-N 3.29Å; L86-S89 CarbonylContact O-C 3.52Å; L86-S89 WeakPolarHBondContact O-CB 3.06Å; L86-S89 PolarHBondContact O-N 3.1Å; L86-S89 VanDerWaalsContact O-N 3.13Å; L86-G90 PolarHBondContact O-N 3.1Å; L86-F91 HydrophobicContact CB-CB 4.43Å; L86-F91 HydrophobicContact CB-CD2 4.37Å; L86-F91 HydrophobicContact CD2-CD2 4.14Å; L86-F91 HydrophobicContact CD2-CE2 4.42Å; L86-F91 WeakPolarHBondContact O-CD2 3.37Å; L86-F91 PolarHBondContact O-N 3.32Å; L86-F91 VanDerWaalsContact O-N 3.13Å; L86-T93 HydrophobicContact CB-CG2 4.01Å; L86-V165 HydrophobicContact CB-CG1 4.32Å; L86-V165 HydrophobicContact CD1-CB 4.36Å; L86-V165 HydrophobicContact CD1-CG1 3.87Å; L86-V165 HydrophobicContact CD1-CG2 3.86Å; L86-V291 HydrophobicContact CD2-CG1 3.81Å; L86-V291 HydrophobicContact CD2-CG2 4.28Å; L86-V291 HydrophobicContact CG-CG2 4.16Å; L86-W294 HydrophobicContact CD1-CD2 4.47Å; L86-W294 HydrophobicContact CD1-CE3 4.32Å; L86-W294 HydrophobicContact CD1-CZ3 4.48Å; L86-W294 HydrophobicContact CD2-CE3 3.63Å; L86-W294 HydrophobicContact CD2-CZ3 3.62Å |
| 87 | R | 98.5 | Very high | 98.1 | Very high | 66 Ų | 66 | 23.2 Ų | 23.2 | 25% | 0.249 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 175.8 | 176.7 | 168.5 | 48.5 | 67.7 | 7.9 | 112.5 | E83 N84 I85 S89 G90 F91 T93 N111 | E83-R87 VanDerWaalsContact O-CB 3.26Å; E83-R87 WeakPolarHBondContact O-CB 3.38Å; E83-R87 PolarHBondContact O-N 3.09Å; E83-R87 WeakPolarHBondContact OE1-CD 3.34Å; E83-R87 IonicContact OE1-CZ 2.62Å; E83-R87 IonicContact OE1-NE 3.97Å; E83-R87 PolarHBondContact OE1-NE 3.36Å; E83-R87 IonicContact OE1-NH2 3.37Å; E83-R87 IonicContact OE2-CZ 3.37Å; E83-R87 IonicContact OE2-NE 3.78Å; E83-R87 PolarHBondContact OE2-NE 3.32Å; E83-R87 IonicContact OE2-NH2 2.67Å; E83-R87 PolarHBondContact OE2-NH2 2.82Å; N84-R87 PolarHBondContact OD1-NH2 3.31Å; I85-R87 PolarHBondContact O-N 2.73Å; R87-S89 PolarHBondContact O-N 3.09Å; R87-G90 PolarHBondContact O-N 3.13Å; R87-G90 VanDerWaalsContact O-N 3.07Å; R87-F91 WeakPolarHBondContact CA-O 2.99Å; R87-T93 HydrophobicContact CB-CG2 3.83Å; R87-N111 WeakPolarHBondContact CD-O 3.39Å; R87-N111 PolarHBondContact NE-O 3.38Å |
| 88 | Q | 98.1 | Very high | 97.9 | Very high | 101 Ų | 101 | 24 Ų | 24 | 47% | 0.472 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -70.6 | -20.8 | 178.5 | -62.8 | -69.9 | -8.3 | 0 | 0 | 112.2 | N84 I85 L86 G90 N327 | N84-Q88 VanDerWaalsContact O-CB 3.29Å; N84-Q88 WeakPolarHBondContact O-CB 3.22Å; N84-Q88 WeakPolarHBondContact O-CG 3.32Å; N84-Q88 PolarHBondContact O-N 2.93Å; I85-Q88 PolarHBondContact O-N 3.28Å; L86-Q88 PolarHBondContact O-N 3.29Å; Q88-G90 VanDerWaalsContact C-N 3.26Å; Q88-N327 HydrophobicContact CB-CB 4.21Å; Q88-N327 VanDerWaalsContact CB-ND2 3.27Å; Q88-N327 WeakPolarHBondContact CB-ND2 3.29Å; Q88-N327 HydrophobicContact CG-CB 4.44Å |
| 89 | S | 96.9 | Very high | 97.6 | Very high | 58 Ų | 58 | 28.6 Ų | 28.6 | 41% | 0.406 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 1.6 | 170.1 | -61.3 | 0 | 0 | 0 | 0 | 113.8 | I85 L86 R87 | I85-S89 PolarHBondContact O-N 3.16Å; I85-S89 PolarHBondContact O-OG 3.28Å; I85-S89 VanDerWaalsContact O-OG 3.05Å; L86-S89 CarbonylContact O-C 3.52Å; L86-S89 WeakPolarHBondContact O-CB 3.06Å; L86-S89 PolarHBondContact O-N 3.1Å; L86-S89 VanDerWaalsContact O-N 3.13Å; R87-S89 PolarHBondContact O-N 3.09Å |
| 90 | G | 97.5 | Very high | 97.4 | Very high | 66 Ų | 66 | 31.6 Ų | 31.6 | 68% | 0.68 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 99.2 | -1.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L86 R87 Q88 | L86-G90 PolarHBondContact O-N 3.1Å; R87-G90 PolarHBondContact O-N 3.13Å; R87-G90 VanDerWaalsContact O-N 3.07Å; Q88-G90 VanDerWaalsContact C-N 3.26Å |
| 91 | F | 98.5 | Very high | 97.1 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 20% | 0.197 | 20% | 0.199 | C | C | . | . | trans | -77.1 | 142.1 | 176 | -63.6 | -80.3 | 0 | 0 | 0 | 111.5 | L86 R87 T93 D164 V165 W294 L295 L298 | L86-F91 HydrophobicContact CB-CB 4.43Å; L86-F91 HydrophobicContact CB-CD2 4.37Å; L86-F91 HydrophobicContact CD2-CD2 4.14Å; L86-F91 HydrophobicContact CD2-CE2 4.42Å; L86-F91 WeakPolarHBondContact O-CD2 3.37Å; L86-F91 PolarHBondContact O-N 3.32Å; L86-F91 VanDerWaalsContact O-N 3.13Å; R87-F91 WeakPolarHBondContact CA-O 2.99Å; F91-T93 PolarHBondContact O-N 3.48Å; F91-D164 HydrophobicContact CB-CB 4.32Å; F91-D164 HydrophobicContact CD1-CB 4Å; F91-V165 HydrophobicContact CB-CG1 4.38Å; F91-W294 AromaticContact CD1-CH2 3.92Å; F91-W294 HydrophobicContact CD1-CH2 3.92Å; F91-W294 HydrophobicContact CD1-CZ3 4.33Å; F91-W294 HydrophobicContact CD2-CZ3 4.26Å; F91-W294 AromaticContact CE1-CH2 3.86Å; F91-W294 HydrophobicContact CE1-CH2 3.86Å; F91-W294 HydrophobicContact CE1-CZ3 4.03Å; F91-W294 HydrophobicContact CE2-CH2 4.5Å; F91-W294 AromaticContact CE2-CZ3 3.97Å; F91-W294 HydrophobicContact CE2-CZ3 3.97Å; F91-W294 HydrophobicContact CG-CH2 4.26Å; F91-W294 HydrophobicContact CG-CZ3 4.44Å; F91-W294 HydrophobicContact CZ-CH2 4.16Å; F91-W294 AromaticContact CZ-CZ3 3.84Å; F91-W294 HydrophobicContact CZ-CZ3 3.84Å; F91-L295 HydrophobicContact CE2-CD2 3.86Å; F91-L295 HydrophobicContact CZ-CD2 3.9Å; F91-L298 HydrophobicContact CE1-CD2 3.73Å; F91-L298 HydrophobicContact CZ-CD2 3.96Å | ||
| 92 | R | 98.7 | Very high | 96.7 | Very high | 84 Ų | 84 | 40.7 Ų | 40.7 | 32% | 0.317 | 22% | 0.224 | S | C | . | . | trans | -77.6 | 115.5 | 168.1 | -167.1 | 168.8 | -167 | 178.4 | -0.4 | 109 | N111 E161 V163 D164 V165 | R92-N111 WeakPolarHBondContact CA-OD1 3.38Å; R92-E161 VanDerWaalsContact CD-O 3.29Å; R92-E161 WeakPolarHBondContact CD-O 3.29Å; R92-E161 IonicContact CZ-OE2 2.66Å; R92-E161 PolarHBondContact NE-O 3.32Å; R92-E161 VanDerWaalsContact NE-O 3.1Å; R92-E161 PolarHBondContact NH1-O 3.45Å; R92-E161 IonicContact NH1-OE2 3.56Å; R92-E161 IonicContact NH2-OE2 3.39Å; R92-E161 PolarHBondContact NH2-OE2 3.21Å; R92-V163 HydrophobicContact CG-CG2 4.29Å; R92-V163 WeakPolarHBondContact O-CG1 3.17Å; R92-D164 WeakPolarHBondContact CB-OD2 3.36Å; R92-D164 PolarHBondContact N-OD2 2.94Å; R92-D164 PolarHBondContact O-N 2.83Å; R92-V165 PolarHBondContact O-N 3.34Å | ||
| 93 | T | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139.7 | -172.4 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | E83 L86 R87 F91 I110 N111 V165 | E83-T93 HydrophobicContact CG-CG2 4.37Å; E83-T93 PolarHBondContact OE1-OG1 3.06Å; L86-T93 HydrophobicContact CB-CG2 4.01Å; R87-T93 HydrophobicContact CB-CG2 3.83Å; F91-T93 PolarHBondContact O-N 3.48Å; T93-I110 CarbonylContact O-C 3.5Å; T93-I110 WeakPolarHBondContact O-CA 3.41Å; T93-N111 PolarHBondContact N-OD1 2.99Å; T93-N111 PolarHBondContact O-N 3.13Å; T93-N111 WeakPolarHBondContact OG1-CA 3.47Å; T93-N111 PolarHBondContact OG1-N 3.29Å; T93-V165 HydrophobicContact CG2-CG1 3.73Å |
| 94 | G | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | R109 F158 V165 I167 | G94-R109 CarbonylContact C-O 3.49Å; G94-R109 WeakPolarHBondContact CA-O 3.3Å; G94-F158 VanDerWaalsContact C-CZ 3.48Å; G94-V165 PolarHBondContact N-O 2.72Å; G94-I167 PolarHBondContact O-N 3.1Å |
| 95 | F | 98.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 117.9 | 178.6 | 172.5 | -156.3 | 0 | 0 | 0 | 111 | C79 E83 S97 R109 F158 I167 E169 W333 | C79-F95 HydrophobicContact CB-CD2 4.04Å; C79-F95 HydrophobicContact CB-CE1 3.88Å; C79-F95 HydrophobicContact CB-CE2 3.32Å; C79-F95 HydrophobicContact CB-CZ 3.23Å; E83-F95 HydrophobicContact CG-CB 4.32Å; F95-S97 VanDerWaalsContact CZ-CB 3.42Å; F95-R109 HydrophobicContact CB-CB 4.25Å; F95-R109 PolarHBondContact N-O 2.95Å; F95-R109 PolarHBondContact O-N 2.92Å; F95-F158 VanDerWaalsContact C-CZ 3.48Å; F95-I167 CarbonylContact C-O 3.48Å; F95-I167 WeakPolarHBondContact CA-O 3.28Å; F95-I167 HydrophobicContact CB-CB 4.36Å; F95-I167 HydrophobicContact CD2-CB 4.23Å; F95-I167 HydrophobicContact CD2-CG2 4.05Å; F95-I167 WeakPolarHBondContact CD2-O 3.31Å; F95-E169 HydrophobicContact CE2-CB 4.14Å; F95-W333 HydrophobicContact CD1-CH2 4.09Å; F95-W333 HydrophobicContact CD1-CZ3 4.07Å; F95-W333 HydrophobicContact CE1-CE3 4.23Å; F95-W333 AromaticContact CE1-CH2 3.22Å; F95-W333 HydrophobicContact CE1-CH2 3.22Å; F95-W333 AromaticContact CE1-CZ2 3.99Å; F95-W333 HydrophobicContact CE1-CZ2 3.99Å; F95-W333 AromaticContact CE1-CZ3 3.37Å; F95-W333 HydrophobicContact CE1-CZ3 3.37Å; F95-W333 AromaticContact CZ-CH2 3.73Å; F95-W333 HydrophobicContact CZ-CH2 3.73Å; F95-W333 HydrophobicContact CZ-CZ2 4.09Å; F95-W333 HydrophobicContact CZ-CZ3 4.27Å |
| 96 | L | 98.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 113.2 | 168.7 | 175.9 | 60.4 | 0 | 0 | 0 | 110.5 | R107 I108 I150 F151 A154 F158 I167 F168 E169 T179 | L96-R107 CarbonylContact C-O 3.55Å; L96-R107 WeakPolarHBondContact CA-O 3.35Å; L96-R107 HydrophobicContact CD1-CB 4.3Å; L96-I108 HydrophobicContact CD1-CG1 4.49Å; L96-I150 HydrophobicContact CD1-CG2 3.59Å; L96-F151 HydrophobicContact CD2-CB 4.42Å; L96-F151 HydrophobicContact CD2-CD2 3.83Å; L96-A154 HydrophobicContact CB-CB 4.18Å; L96-A154 HydrophobicContact CD1-CB 3.98Å; L96-A154 HydrophobicContact CD2-CB 4.14Å; L96-A154 HydrophobicContact CG-CB 4.31Å; L96-F158 HydrophobicContact CB-CE2 4.42Å; L96-F158 HydrophobicContact CB-CZ 4.35Å; L96-I167 PolarHBondContact N-O 3.15Å; L96-F168 HydrophobicContact CB-CD1 3.86Å; L96-F168 HydrophobicContact CB-CE1 4.22Å; L96-F168 HydrophobicContact CD2-CD1 3.73Å; L96-F168 HydrophobicContact CD2-CE1 4.14Å; L96-F168 HydrophobicContact CG-CD1 4.4Å; L96-E169 VanDerWaalsContact O-CB 3.3Å; L96-E169 WeakPolarHBondContact O-CB 3.15Å; L96-E169 PolarHBondContact O-N 3.28Å; L96-T179 HydrophobicContact CD2-CG2 4.21Å |
| 97 | S | 97.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | trans | -107.9 | 159.3 | -180 | 79.9 | 0 | 0 | 0 | 0 | 114.2 | F95 E106 R107 E169 | F95-S97 VanDerWaalsContact CZ-CB 3.42Å; S97-E106 PolarHBondContact OG-O 3.48Å; S97-R107 PolarHBondContact N-O 3.11Å; S97-R107 PolarHBondContact O-NH1 3.09Å; S97-E169 WeakPolarHBondContact CA-OE2 3.42Å | ||
| 98 | S | 90.3 | Very high | 96.3 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -151.2 | 134.9 | 173.9 | -171.2 | 0 | 0 | 0 | 0 | 114.5 | R107 E169 | S98-R107 VanDerWaalsContact CB-NH1 3.29Å; S98-R107 PolarHBondContact OG-NH1 3.09Å; S98-E169 PolarHBondContact N-OE2 2.96Å |
| 99 | P | 91.9 | Very high | 96.3 | Very high | 97 Ų | 97 | 38.8 Ų | 38.8 | 63% | 0.63 | 22% | 0.218 | S | C | * | . | S | Bend | cis | -75.5 | 178.1 | -12.3 | 34 | -35.7 | 0 | 0 | 0 | 112.6 | ||
| 100 | H | 93.3 | Very high | 96.4 | Very high | 62 Ų | 62 | 37 Ų | 37 | 29% | 0.287 | 20% | 0.204 | S | C | . | . | trans | -74.7 | 159.8 | 161.3 | 48.6 | -106.2 | 0 | 0 | 0 | 110.7 | N103 V104 E106 R107 | H100-N103 WeakPolarHBondContact CB-O 3.28Å; H100-V104 WeakPolarHBondContact ND1-CA 3.2Å; H100-E106 HydrophobicContact CB-CB 4.05Å; H100-R107 HydrophobicContact CB-CG 3.95Å; H100-R107 PolarHBondContact ND1-NE 3.11Å | ||
| 101 | L | 90.8 | Very high | 96.4 | Very high | 95 Ų | 95 | 36.7 Ų | 36.7 | 50% | 0.497 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -90.6 | -47.9 | 176.6 | -176.6 | 66.8 | 0 | 0 | 0 | 111.5 | E106 P334 | L101-E106 WeakPolarHBondContact CA-OE2 3.33Å; L101-E106 WeakPolarHBondContact CB-OE2 3.44Å; L101-E106 PolarHBondContact N-OE2 3.27Å; L101-P334 HydrophobicContact CD2-CB 3.95Å |
| 102 | I | 91.5 | Very high | 96.4 | Very high | 127 Ų | 127 | 35.5 Ų | 35.5 | 65% | 0.651 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -123 | -58.5 | -178.9 | -53.9 | 165.3 | 0 | 0 | 0 | 110.7 | E106 | I102-E106 VanDerWaalsContact CB-OE1 3.31Å; I102-E106 WeakPolarHBondContact CB-OE1 3.48Å; I102-E106 PolarHBondContact N-OE1 2.77Å; I102-E106 PolarHBondContact N-OE2 3.16Å |
| 103 | N | 94.8 | Very high | 96.3 | Very high | 48 Ų | 48 | 40.7 Ų | 40.7 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | trans | -118.6 | 149.9 | -174 | -49.9 | -90.7 | 0 | 0 | 0 | 112.3 | H100 E105 E106 R117 | H100-N103 WeakPolarHBondContact CB-O 3.28Å; N103-E105 VanDerWaalsContact C-N 3.29Å; N103-E105 HydrophobicContact CB-CG 4.3Å; N103-E105 WeakPolarHBondContact CB-OE1 3.23Å; N103-E105 WeakPolarHBondContact CB-OE2 3.38Å; N103-E105 PolarHBondContact O-N 2.96Å; N103-E106 VanDerWaalsContact N-CD 3.35Å; N103-E106 PolarHBondContact N-OE1 3.09Å; N103-E106 VanDerWaalsContact O-CB 3.23Å; N103-E106 WeakPolarHBondContact O-CB 3.13Å; N103-E106 VanDerWaalsContact O-CG 3.26Å; N103-E106 WeakPolarHBondContact O-CG 3.42Å; N103-E106 PolarHBondContact O-N 3.16Å; N103-E106 VanDerWaalsContact O-N 3.09Å; N103-R117 PolarHBondContact OD1-NH2 3.41Å; N103-R117 VanDerWaalsContact OD1-NH2 3.16Å | ||
| 104 | V | 96.6 | Very high | 96.3 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -65.1 | -29.8 | -173 | 70.2 | 0 | 0 | 0 | 0 | 114.2 | I18 L21 H100 E106 R107 F120 F146 I150 | I18-V104 HydrophobicContact CD1-CB 4.42Å; I18-V104 HydrophobicContact CD1-CG1 3.22Å; L21-V104 HydrophobicContact CD2-CG2 4.33Å; H100-V104 WeakPolarHBondContact ND1-CA 3.2Å; V104-E106 PolarHBondContact O-N 3.05Å; V104-E106 VanDerWaalsContact O-N 3.16Å; V104-R107 WeakPolarHBondContact O-CB 3.26Å; V104-R107 WeakPolarHBondContact O-CG 3.14Å; V104-R107 PolarHBondContact O-N 2.95Å; V104-R107 VanDerWaalsContact O-N 3.09Å; V104-F120 HydrophobicContact CB-CE2 4.42Å; V104-F120 HydrophobicContact CB-CZ 4.29Å; V104-F120 HydrophobicContact CG1-CD1 4.38Å; V104-F120 HydrophobicContact CG1-CD2 4.3Å; V104-F120 HydrophobicContact CG1-CE1 3.76Å; V104-F120 HydrophobicContact CG1-CE2 3.68Å; V104-F120 HydrophobicContact CG1-CZ 3.38Å; V104-F120 HydrophobicContact CG2-CE2 4.04Å; V104-F120 HydrophobicContact CG2-CZ 3.91Å; V104-F146 HydrophobicContact CG2-CE2 4.39Å; V104-F146 HydrophobicContact CG2-CZ 3.81Å; V104-I150 HydrophobicContact CG2-CD1 3.62Å |
| 105 | E | 97 | Very high | 96.2 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -61.4 | -21.3 | 176.3 | 62.7 | -89 | -157.4 | 0 | 0 | 112.7 | Y14 N103 R107 I108 P114 I115 R117 F120 | Y14-E105 PolarHBondContact OH-OE2 3.37Å; N103-E105 VanDerWaalsContact C-N 3.29Å; N103-E105 HydrophobicContact CB-CG 4.3Å; N103-E105 WeakPolarHBondContact CB-OE1 3.23Å; N103-E105 WeakPolarHBondContact CB-OE2 3.38Å; N103-E105 PolarHBondContact O-N 2.96Å; E105-R107 PolarHBondContact O-N 2.92Å; E105-R107 VanDerWaalsContact O-N 3.11Å; E105-I108 PolarHBondContact O-N 3.3Å; E105-I108 VanDerWaalsContact O-N 3.09Å; E105-P114 HydrophobicContact CG-CB 4.35Å; E105-I115 HydrophobicContact CB-CG1 4.18Å; E105-I115 WeakPolarHBondContact CB-O 3.37Å; E105-R117 IonicContact OE1-NE 3.43Å; E105-R117 PolarHBondContact OE1-NE 3.13Å; E105-F120 HydrophobicContact CB-CB 4.41Å; E105-F120 HydrophobicContact CB-CD2 4.15Å; E105-F120 HydrophobicContact CB-CG 4.5Å |
| 106 | E | 97 | Very high | 96.2 | Very high | 24 Ų | 24 | 46.9 Ų | 46.9 | 11% | 0.112 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -61.3 | -21.5 | 175.4 | -65.5 | 166.5 | -161.8 | 0 | 0 | 113.3 | S97 H100 L101 I102 N103 V104 I108 R109 P114 | S97-E106 PolarHBondContact OG-O 3.48Å; H100-E106 HydrophobicContact CB-CB 4.05Å; L101-E106 WeakPolarHBondContact CA-OE2 3.33Å; L101-E106 WeakPolarHBondContact CB-OE2 3.44Å; L101-E106 PolarHBondContact N-OE2 3.27Å; I102-E106 VanDerWaalsContact CB-OE1 3.31Å; I102-E106 WeakPolarHBondContact CB-OE1 3.48Å; I102-E106 PolarHBondContact N-OE1 2.77Å; I102-E106 PolarHBondContact N-OE2 3.16Å; N103-E106 VanDerWaalsContact N-CD 3.35Å; N103-E106 PolarHBondContact N-OE1 3.09Å; N103-E106 VanDerWaalsContact O-CB 3.23Å; N103-E106 WeakPolarHBondContact O-CB 3.13Å; N103-E106 VanDerWaalsContact O-CG 3.26Å; N103-E106 WeakPolarHBondContact O-CG 3.42Å; N103-E106 PolarHBondContact O-N 3.16Å; N103-E106 VanDerWaalsContact O-N 3.09Å; V104-E106 PolarHBondContact O-N 3.05Å; V104-E106 VanDerWaalsContact O-N 3.16Å; E106-I108 VanDerWaalsContact C-N 3.34Å; E106-R109 PolarHBondContact O-NE 3.03Å; E106-R109 VanDerWaalsContact O-NE 3.1Å; E106-P114 HydrophobicContact CG-CG 4.29Å |
| 107 | R | 98 | Very high | 96.2 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -68.9 | -31.9 | 177 | -64 | -178.1 | 170.5 | -90.9 | 3.2 | 112.2 | L96 S97 S98 H100 V104 E105 I150 | L96-R107 CarbonylContact C-O 3.55Å; L96-R107 WeakPolarHBondContact CA-O 3.35Å; L96-R107 HydrophobicContact CD1-CB 4.3Å; S97-R107 PolarHBondContact N-O 3.11Å; S97-R107 PolarHBondContact O-NH1 3.09Å; S98-R107 VanDerWaalsContact CB-NH1 3.29Å; S98-R107 PolarHBondContact OG-NH1 3.09Å; H100-R107 HydrophobicContact CB-CG 3.95Å; H100-R107 PolarHBondContact ND1-NE 3.11Å; V104-R107 WeakPolarHBondContact O-CB 3.26Å; V104-R107 WeakPolarHBondContact O-CG 3.14Å; V104-R107 PolarHBondContact O-N 2.95Å; V104-R107 VanDerWaalsContact O-N 3.09Å; E105-R107 PolarHBondContact O-N 2.92Å; E105-R107 VanDerWaalsContact O-N 3.11Å; R107-I150 HydrophobicContact CB-CG2 4.21Å |
| 108 | I | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 109.8 | -176.1 | -52.3 | 176.4 | 0 | 0 | 0 | 107.7 | L96 E105 E106 P114 I115 M153 A154 A157 F158 | L96-I108 HydrophobicContact CD1-CG1 4.49Å; E105-I108 PolarHBondContact O-N 3.3Å; E105-I108 VanDerWaalsContact O-N 3.09Å; E106-I108 VanDerWaalsContact C-N 3.34Å; I108-P114 WeakPolarHBondContact O-CA 3.03Å; I108-I115 HydrophobicContact CB-CD1 3.92Å; I108-I115 HydrophobicContact CB-CG1 4.12Å; I108-I115 HydrophobicContact CB-CG2 4.49Å; I108-I115 HydrophobicContact CD1-CD1 4.09Å; I108-I115 HydrophobicContact CG2-CD1 4.05Å; I108-I115 HydrophobicContact CG2-CG1 4.46Å; I108-I115 HydrophobicContact CG2-CG2 4.04Å; I108-I115 PolarHBondContact O-N 2.96Å; I108-M153 HydrophobicContact CD1-CB 3.85Å; I108-M153 HydrophobicContact CD1-CE 4.24Å; I108-A154 HydrophobicContact CD1-CB 4.21Å; I108-A154 HydrophobicContact CG1-CB 4.05Å; I108-A154 HydrophobicContact CG2-CB 4.32Å; I108-A157 HydrophobicContact CG2-CB 4.05Å; I108-F158 HydrophobicContact CG2-CE1 3.81Å; I108-F158 HydrophobicContact CG2-CZ 4.4Å |
| 109 | R | 98.7 | Very high | 96.5 | Very high | 27 Ų | 27 | 59.7 Ų | 59.7 | 10% | 0.102 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 137.1 | -177.4 | -64.1 | 177.6 | 171.6 | -103.7 | -2.2 | 111.4 | G94 F95 E106 G112 R113 | G94-R109 CarbonylContact C-O 3.49Å; G94-R109 WeakPolarHBondContact CA-O 3.3Å; F95-R109 HydrophobicContact CB-CB 4.25Å; F95-R109 PolarHBondContact N-O 2.95Å; F95-R109 PolarHBondContact O-N 2.92Å; E106-R109 PolarHBondContact O-NE 3.03Å; E106-R109 VanDerWaalsContact O-NE 3.1Å; R109-G112 PolarHBondContact NH1-O 3.49Å; R109-R113 CarbonylContact C-O 3.59Å; R109-R113 WeakPolarHBondContact CA-O 3.15Å; R109-R113 WeakPolarHBondContact CB-O 3.17Å |
| 110 | I | 98.7 | Very high | 96.8 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 11% | 0.108 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.8 | 169.5 | -53.3 | -66.7 | 0 | 0 | 0 | 107.3 | T93 G112 R113 I115 F158 E161 V163 | T93-I110 CarbonylContact O-C 3.5Å; T93-I110 WeakPolarHBondContact O-CA 3.41Å; I110-G112 VanDerWaalsContact C-N 3.27Å; I110-G112 PolarHBondContact O-N 3.34Å; I110-R113 PolarHBondContact N-O 2.94Å; I110-R113 PolarHBondContact O-N 3.18Å; I110-I115 HydrophobicContact CG1-CG2 3.96Å; I110-F158 HydrophobicContact CD1-CD1 3.45Å; I110-F158 VanDerWaalsContact CD1-CD1 3.45Å; I110-F158 HydrophobicContact CD1-CE1 3.79Å; I110-E161 HydrophobicContact CD1-CB 4.2Å; I110-E161 HydrophobicContact CD1-CG 4.23Å; I110-E161 HydrophobicContact CG1-CG 4.29Å; I110-E161 HydrophobicContact CG2-CB 4.49Å; I110-V163 HydrophobicContact CD1-CG2 3.93Å |
| 111 | N | 98.2 | Very high | 97 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 32% | 0.321 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 47 | -178.5 | -68.6 | -22.1 | 0 | 0 | 0 | 113.2 | R87 R92 T93 R113 | R87-N111 WeakPolarHBondContact CD-O 3.39Å; R87-N111 PolarHBondContact NE-O 3.38Å; R92-N111 WeakPolarHBondContact CA-OD1 3.38Å; T93-N111 PolarHBondContact N-OD1 2.99Å; T93-N111 PolarHBondContact O-N 3.13Å; T93-N111 WeakPolarHBondContact OG1-CA 3.47Å; T93-N111 PolarHBondContact OG1-N 3.29Å; N111-R113 PolarHBondContact O-N 2.62Å |
| 112 | G | 97 | Very high | 97.3 | Very high | 19 Ų | 19 | 51.8 Ų | 51.8 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | -4.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | E83 R109 I110 | E83-G112 VanDerWaalsContact OE1-CA 3.27Å; E83-G112 WeakPolarHBondContact OE1-CA 3.49Å; E83-G112 PolarHBondContact OE1-N 2.96Å; R109-G112 PolarHBondContact NH1-O 3.49Å; I110-G112 VanDerWaalsContact C-N 3.27Å; I110-G112 PolarHBondContact O-N 3.34Å |
| 113 | R | 97.6 | Very high | 97.6 | Very high | 194 Ų | 194 | 46 Ų | 46 | 73% | 0.732 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 136.7 | -176.3 | -62.8 | -177.3 | -178.4 | -179.5 | 1.7 | 111.4 | R109 I110 N111 | R109-R113 CarbonylContact C-O 3.59Å; R109-R113 WeakPolarHBondContact CA-O 3.15Å; R109-R113 WeakPolarHBondContact CB-O 3.17Å; I110-R113 PolarHBondContact N-O 2.94Å; I110-R113 PolarHBondContact O-N 3.18Å; N111-R113 PolarHBondContact O-N 2.62Å |
| 114 | P | 98.1 | Very high | 97.8 | Very high | 54 Ų | 54 | 43.8 Ų | 43.8 | 35% | 0.351 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 144.5 | 168.3 | -24.9 | 36.8 | 0 | 0 | 0 | 111.1 | E105 E106 I108 | E105-P114 HydrophobicContact CG-CB 4.35Å; E106-P114 HydrophobicContact CG-CG 4.29Å; I108-P114 WeakPolarHBondContact O-CA 3.03Å |
| 115 | I | 98.3 | Very high | 97.8 | Very high | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 154.6 | 169.5 | 61.6 | 173.6 | 0 | 0 | 0 | 110.6 | E105 I108 I110 H119 F120 L123 | E105-I115 HydrophobicContact CB-CG1 4.18Å; E105-I115 WeakPolarHBondContact CB-O 3.37Å; I108-I115 HydrophobicContact CB-CD1 3.92Å; I108-I115 HydrophobicContact CB-CG1 4.12Å; I108-I115 HydrophobicContact CB-CG2 4.49Å; I108-I115 HydrophobicContact CD1-CD1 4.09Å; I108-I115 HydrophobicContact CG2-CD1 4.05Å; I108-I115 HydrophobicContact CG2-CG1 4.46Å; I108-I115 HydrophobicContact CG2-CG2 4.04Å; I108-I115 PolarHBondContact O-N 2.96Å; I110-I115 HydrophobicContact CG1-CG2 3.96Å; I115-H119 HydrophobicContact CB-CB 4.41Å; I115-F120 HydrophobicContact CD1-CB 3.92Å; I115-F120 HydrophobicContact CD1-CD2 4Å; I115-F120 HydrophobicContact CD1-CG 4.45Å; I115-F120 HydrophobicContact CG1-CB 4.26Å; I115-F120 HydrophobicContact CG1-CD2 4.49Å; I115-L123 HydrophobicContact CD1-CD1 3.8Å |
| 116 | S | 98.1 | Very high | 97.8 | Very high | 67 Ų | 67 | 48 Ų | 48 | 47% | 0.469 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -68.5 | 158.5 | 178 | 70.5 | 0 | 0 | 0 | 0 | 111.2 | D118 H119 F120 | S116-D118 VanDerWaalsContact C-N 3.25Å; S116-D118 PolarHBondContact O-N 3.1Å; S116-H119 PolarHBondContact O-N 3.31Å; S116-H119 VanDerWaalsContact OG-CB 3.3Å; S116-H119 WeakPolarHBondContact OG-CB 3.36Å; S116-H119 PolarHBondContact OG-N 3.01Å; S116-H119 VanDerWaalsContact OG-N 3.08Å; S116-F120 WeakPolarHBondContact O-CB 3.33Å; S116-F120 PolarHBondContact O-N 2.96Å |
| 117 | R | 97.6 | Very high | 97.8 | Very high | 124 Ų | 124 | 46.9 Ų | 46.9 | 47% | 0.468 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.4 | -39.9 | 174.2 | -70.7 | -175.9 | 173.9 | 175.6 | -6.4 | 112.1 | Y14 N103 E105 F120 A121 | Y14-R117 HydrophobicContact CD1-CB 4.27Å; Y14-R117 HydrophobicContact CD1-CG 4.23Å; Y14-R117 HydrophobicContact CD2-CB 3.56Å; Y14-R117 HydrophobicContact CD2-CG 3.93Å; Y14-R117 VanDerWaalsContact CD2-O 3.29Å; Y14-R117 WeakPolarHBondContact CD2-O 3.35Å; Y14-R117 HydrophobicContact CE1-CG 4.03Å; Y14-R117 HydrophobicContact CE2-CB 3.82Å; Y14-R117 HydrophobicContact CE2-CG 3.67Å; Y14-R117 HydrophobicContact CG-CB 3.78Å; Y14-R117 HydrophobicContact CG-CG 4.18Å; N103-R117 PolarHBondContact OD1-NH2 3.41Å; N103-R117 VanDerWaalsContact OD1-NH2 3.16Å; E105-R117 IonicContact OE1-NE 3.43Å; E105-R117 PolarHBondContact OE1-NE 3.13Å; R117-F120 PolarHBondContact O-N 3.36Å; R117-A121 WeakPolarHBondContact O-CB 3.36Å; R117-A121 PolarHBondContact O-N 3.27Å |
| 118 | D | 97.1 | Very high | 97.7 | Very high | 129 Ų | 129 | 48.2 Ų | 48.2 | 69% | 0.69 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -67.4 | -42.3 | 177.7 | -60.6 | -27.5 | 0 | 0 | 0 | 111.7 | S116 A121 S122 | S116-D118 VanDerWaalsContact C-N 3.25Å; S116-D118 PolarHBondContact O-N 3.1Å; D118-A121 PolarHBondContact O-N 3.41Å; D118-S122 WeakPolarHBondContact O-CB 3.41Å; D118-S122 PolarHBondContact O-N 3.19Å |
| 119 | H | 97.5 | Very high | 97.6 | Very high | 49 Ų | 49 | 49.6 Ų | 49.6 | 23% | 0.227 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 175.7 | -169.6 | 178.8 | 0 | 0 | 0 | 110.8 | I115 S116 A121 S122 L123 E161 | I115-H119 HydrophobicContact CB-CB 4.41Å; S116-H119 PolarHBondContact O-N 3.31Å; S116-H119 VanDerWaalsContact OG-CB 3.3Å; S116-H119 WeakPolarHBondContact OG-CB 3.36Å; S116-H119 PolarHBondContact OG-N 3.01Å; S116-H119 VanDerWaalsContact OG-N 3.08Å; H119-A121 PolarHBondContact O-N 3.29Å; H119-S122 PolarHBondContact O-N 3.06Å; H119-L123 WeakPolarHBondContact O-CB 3.49Å; H119-L123 WeakPolarHBondContact O-CG 3.14Å; H119-L123 PolarHBondContact O-N 3.43Å; H119-E161 IonicContact CE1-OE1 3.89Å; H119-E161 PolarHBondContact CE1-OE1 3.43Å |
| 120 | F | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58 | -48.2 | 174.6 | -175.2 | -81.8 | 0 | 0 | 0 | 111.8 | Y14 I18 L21 V104 E105 I115 S116 R117 L123 F124 I150 M153 | Y14-F120 HydrophobicContact CD2-CD1 4.24Å; Y14-F120 HydrophobicContact CE2-CB 4.45Å; Y14-F120 HydrophobicContact CE2-CD1 4.01Å; Y14-F120 HydrophobicContact CE2-CG 4.39Å; I18-F120 HydrophobicContact CD1-CD1 4.44Å; I18-F120 HydrophobicContact CD1-CE1 3.92Å; L21-F120 HydrophobicContact CD2-CE1 4.13Å; L21-F120 HydrophobicContact CD2-CZ 3.71Å; V104-F120 HydrophobicContact CB-CE2 4.42Å; V104-F120 HydrophobicContact CB-CZ 4.29Å; V104-F120 HydrophobicContact CG1-CD1 4.38Å; V104-F120 HydrophobicContact CG1-CD2 4.3Å; V104-F120 HydrophobicContact CG1-CE1 3.76Å; V104-F120 HydrophobicContact CG1-CE2 3.68Å; V104-F120 HydrophobicContact CG1-CZ 3.38Å; V104-F120 HydrophobicContact CG2-CE2 4.04Å; V104-F120 HydrophobicContact CG2-CZ 3.91Å; E105-F120 HydrophobicContact CB-CB 4.41Å; E105-F120 HydrophobicContact CB-CD2 4.15Å; E105-F120 HydrophobicContact CB-CG 4.5Å; I115-F120 HydrophobicContact CD1-CB 3.92Å; I115-F120 HydrophobicContact CD1-CD2 4Å; I115-F120 HydrophobicContact CD1-CG 4.45Å; I115-F120 HydrophobicContact CG1-CB 4.26Å; I115-F120 HydrophobicContact CG1-CD2 4.49Å; S116-F120 WeakPolarHBondContact O-CB 3.33Å; S116-F120 PolarHBondContact O-N 2.96Å; R117-F120 PolarHBondContact O-N 3.36Å; F120-L123 PolarHBondContact O-N 3.3Å; F120-F124 WeakPolarHBondContact O-CB 2.98Å; F120-F124 PolarHBondContact O-N 3.36Å; F120-I150 HydrophobicContact CE2-CD1 3.9Å; F120-I150 HydrophobicContact CZ-CD1 3.91Å; F120-M153 HydrophobicContact CD1-CE 4.15Å; F120-M153 HydrophobicContact CD2-CE 3.67Å; F120-M153 HydrophobicContact CE1-CE 3.96Å; F120-M153 HydrophobicContact CE2-CE 3.44Å; F120-M153 VanDerWaalsContact CE2-CE 3.44Å; F120-M153 HydrophobicContact CG-CE 4Å; F120-M153 HydrophobicContact CZ-CE 3.59Å; F120-M153 HydrophobicContact CZ-SD 4.46Å |
| 121 | A | 97.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 5% | 0.05 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A17 R117 D118 H119 F124 W125 | A17-A121 HydrophobicContact CB-CB 4.23Å; R117-A121 WeakPolarHBondContact O-CB 3.36Å; R117-A121 PolarHBondContact O-N 3.27Å; D118-A121 PolarHBondContact O-N 3.41Å; H119-A121 PolarHBondContact O-N 3.29Å; A121-F124 PolarHBondContact O-N 3.32Å; A121-W125 PolarHBondContact O-N 3.05Å |
| 122 | S | 97.2 | Very high | 97.2 | Very high | 81 Ų | 81 | 49.5 Ų | 49.5 | 57% | 0.566 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -57.4 | -51.1 | 176.8 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | D118 H119 F124 W125 D126 | D118-S122 WeakPolarHBondContact O-CB 3.41Å; D118-S122 PolarHBondContact O-N 3.19Å; H119-S122 PolarHBondContact O-N 3.06Å; S122-F124 VanDerWaalsContact C-N 3.35Å; S122-F124 PolarHBondContact O-N 3.26Å; S122-W125 PolarHBondContact O-N 2.87Å; S122-D126 WeakPolarHBondContact O-CB 3.27Å; S122-D126 PolarHBondContact O-N 3.01Å |
| 123 | L | 97.7 | Very high | 97.1 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 177 | -77 | 166.4 | 0 | 0 | 0 | 111.8 | I115 H119 F120 W125 D126 V127 M153 K156 A157 | I115-L123 HydrophobicContact CD1-CD1 3.8Å; H119-L123 WeakPolarHBondContact O-CB 3.49Å; H119-L123 WeakPolarHBondContact O-CG 3.14Å; H119-L123 PolarHBondContact O-N 3.43Å; F120-L123 PolarHBondContact O-N 3.3Å; L123-W125 PolarHBondContact O-N 3.4Å; L123-D126 PolarHBondContact O-N 3.44Å; L123-V127 WeakPolarHBondContact O-CB 3.37Å; L123-V127 VanDerWaalsContact O-CG2 3.26Å; L123-V127 WeakPolarHBondContact O-CG2 3.35Å; L123-V127 PolarHBondContact O-N 2.89Å; L123-M153 HydrophobicContact CB-CE 4.02Å; L123-M153 HydrophobicContact CB-CG 4.29Å; L123-K156 HydrophobicContact CD2-CB 4.19Å; L123-K156 HydrophobicContact CD2-CD 4.13Å; L123-K156 HydrophobicContact CD2-CG 3.83Å; L123-A157 HydrophobicContact CD1-CB 3.75Å |
| 124 | F | 98 | Very high | 97 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.6 | -46.8 | -179.6 | 174.6 | -103.7 | 0 | 0 | 0 | 111.8 | A17 E20 L21 F120 A121 S122 R128 Y149 M153 | A17-F124 HydrophobicContact CB-CB 4.35Å; A17-F124 HydrophobicContact CB-CD1 3.53Å; A17-F124 HydrophobicContact CB-CE1 4.15Å; A17-F124 HydrophobicContact CB-CG 4.18Å; A17-F124 WeakPolarHBondContact O-CE1 2.85Å; E20-F124 HydrophobicContact CB-CE1 3.74Å; E20-F124 HydrophobicContact CB-CZ 3.74Å; L21-F124 HydrophobicContact CB-CD2 4.29Å; L21-F124 HydrophobicContact CB-CE2 3.71Å; L21-F124 HydrophobicContact CB-CZ 3.94Å; L21-F124 HydrophobicContact CD1-CD2 4.27Å; L21-F124 HydrophobicContact CD1-CE2 3.83Å; L21-F124 HydrophobicContact CG-CE2 4.29Å; F120-F124 WeakPolarHBondContact O-CB 2.98Å; F120-F124 PolarHBondContact O-N 3.36Å; A121-F124 PolarHBondContact O-N 3.32Å; S122-F124 VanDerWaalsContact C-N 3.35Å; S122-F124 PolarHBondContact O-N 3.26Å; F124-R128 HydrophobicContact CE1-CB 4.48Å; F124-R128 HydrophobicContact CE2-CB 4.37Å; F124-R128 HydrophobicContact CZ-CB 4.31Å; F124-R128 HydrophobicContact CZ-CG 4.28Å; F124-R128 WeakPolarHBondContact O-CB 3.43Å; F124-R128 PolarHBondContact O-N 2.87Å; F124-Y149 HydrophobicContact CE2-CD1 4.34Å; F124-Y149 HydrophobicContact CE2-CG 4.42Å; F124-M153 HydrophobicContact CB-CE 4.01Å; F124-M153 HydrophobicContact CB-SD 3.9Å; F124-M153 HydrophobicContact CD2-SD 4.02Å; F124-M153 HydrophobicContact CG-SD 4.48Å |
| 125 | W | 97.4 | Very high | 96.7 | Very high | 37 Ų | 37 | 45.3 Ų | 45.3 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.9 | -35.7 | -177.2 | -69.8 | 124.4 | 0 | 0 | 0 | 113.2 | R12 S13 D16 A17 E20 A121 S122 L123 G129 | R12-W125 HydrophobicContact CB-CD2 3.82Å; R12-W125 HydrophobicContact CB-CG 3.97Å; R12-W125 HydrophobicContact CB-CH2 4.48Å; R12-W125 HydrophobicContact CB-CZ2 3.71Å; R12-W125 VanDerWaalsContact CD-CE3 3.42Å; R12-W125 HydrophobicContact CG-CD2 4.27Å; R12-W125 HydrophobicContact CG-CZ2 4.34Å; R12-W125 PolarHBondContact O-NE1 3.45Å; S13-W125 PolarHBondContact O-NE1 2.89Å; D16-W125 HydrophobicContact CB-CH2 4.26Å; D16-W125 HydrophobicContact CB-CZ2 3.64Å; A17-W125 HydrophobicContact CB-CZ2 4.15Å; E20-W125 HydrophobicContact CB-CH2 4.19Å; E20-W125 HydrophobicContact CG-CH2 3.68Å; E20-W125 HydrophobicContact CG-CZ3 4.14Å; A121-W125 PolarHBondContact O-N 3.05Å; S122-W125 PolarHBondContact O-N 2.87Å; L123-W125 PolarHBondContact O-N 3.4Å; W125-G129 PolarHBondContact O-N 3.5Å |
| 126 | D | 96.6 | Very high | 96.5 | Very high | 79 Ų | 79 | 51 Ų | 51 | 42% | 0.422 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.5 | -55.2 | 173.6 | -175.3 | 27 | 0 | 0 | 0 | 111.3 | S122 L123 R128 G129 T130 K156 | S122-D126 WeakPolarHBondContact O-CB 3.27Å; S122-D126 PolarHBondContact O-N 3.01Å; L123-D126 PolarHBondContact O-N 3.44Å; D126-R128 PolarHBondContact O-N 2.72Å; D126-G129 PolarHBondContact O-N 2.83Å; D126-T130 PolarHBondContact O-N 3.33Å; D126-T130 PolarHBondContact O-OG1 3.1Å; D126-K156 WeakPolarHBondContact OD2-CE 3.44Å; D126-K156 IonicContact OD2-NZ 2.77Å |
| 127 | V | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.7 | -48.3 | 178.9 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | 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 3.37Å; L123-V127 VanDerWaalsContact O-CG2 3.26Å; L123-V127 WeakPolarHBondContact O-CG2 3.35Å; L123-V127 PolarHBondContact O-N 2.89Å; V127-G129 PolarHBondContact O-N 2.74Å; V127-T130 PolarHBondContact O-N 3.36Å; V127-L131 HydrophobicContact CG1-CD1 3.63Å; V127-L131 HydrophobicContact CG1-CG 4.3Å; V127-L131 WeakPolarHBondContact O-CB 3.31Å; V127-L131 VanDerWaalsContact O-CG 3.26Å; V127-L131 WeakPolarHBondContact O-CG 3.41Å; V127-L131 PolarHBondContact O-N 3.01Å; V127-Y149 HydrophobicContact CG1-CD1 3.94Å; V127-Y149 HydrophobicContact CG1-CE1 4.14Å; V127-V152 HydrophobicContact CG1-CB 4.31Å; V127-V152 HydrophobicContact CG1-CG1 3.78Å; V127-V152 HydrophobicContact CG2-CG1 4.19Å; V127-M153 HydrophobicContact CB-CG 4.32Å; V127-M153 HydrophobicContact CG2-CG 4.05Å; V127-K156 HydrophobicContact CG2-CD 4.07Å |
| 128 | R | 96.3 | Very high | 95.7 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 18% | 0.177 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 179.8 | -172.6 | -162.7 | 178.1 | -69.7 | 9 | 111.7 | E20 F124 D126 L132 Y149 | E20-R128 IonicContact OE2-CZ 3.48Å; E20-R128 IonicContact OE2-NE 3.38Å; E20-R128 PolarHBondContact OE2-NE 2.77Å; E20-R128 IonicContact OE2-NH2 2.78Å; E20-R128 PolarHBondContact OE2-NH2 2.88Å; F124-R128 HydrophobicContact CE1-CB 4.48Å; F124-R128 HydrophobicContact CE2-CB 4.37Å; F124-R128 HydrophobicContact CZ-CB 4.31Å; F124-R128 HydrophobicContact CZ-CG 4.28Å; F124-R128 WeakPolarHBondContact O-CB 3.43Å; F124-R128 PolarHBondContact O-N 2.87Å; D126-R128 PolarHBondContact O-N 2.72Å; R128-L132 VanDerWaalsContact O-CB 3.24Å; R128-L132 WeakPolarHBondContact O-CB 3.22Å; R128-L132 PolarHBondContact O-N 2.9Å; R128-Y149 HydrophobicContact CB-CE1 4.04Å; R128-Y149 HydrophobicContact CG-CE1 4.33Å |
| 129 | G | 95.4 | Very high | 95 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.6 | -49.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | W125 D126 V127 L132 E133 | W125-G129 PolarHBondContact O-N 3.5Å; D126-G129 PolarHBondContact O-N 2.83Å; V127-G129 PolarHBondContact O-N 2.74Å; G129-L132 PolarHBondContact O-N 3.26Å; G129-E133 PolarHBondContact O-N 2.87Å |
| 130 | T | 96.9 | Very high | 94.4 | Very high | 51 Ų | 51 | 54.8 Ų | 54.8 | 31% | 0.313 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 179.3 | -58.4 | 0 | 0 | 0 | 0 | 112 | A53 V54 D126 V127 L132 E133 F134 | A53-T130 VanDerWaalsContact O-CG2 3.25Å; A53-T130 WeakPolarHBondContact O-CG2 3.47Å; V54-T130 HydrophobicContact CG1-CG2 4.18Å; D126-T130 PolarHBondContact O-N 3.33Å; D126-T130 PolarHBondContact O-OG1 3.1Å; V127-T130 PolarHBondContact O-N 3.36Å; T130-L132 VanDerWaalsContact C-N 3.31Å; T130-L132 PolarHBondContact O-N 3.17Å; T130-E133 PolarHBondContact O-N 3.48Å; T130-F134 WeakPolarHBondContact O-CB 3.35Å; T130-F134 PolarHBondContact O-N 2.97Å |
| 131 | L | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.5 | -27.2 | -178.8 | -66 | 179.5 | 0 | 0 | 0 | 113.4 | Y50 A53 V54 V127 F134 T135 P144 Y149 | Y50-L131 HydrophobicContact CD1-CD1 4.32Å; Y50-L131 HydrophobicContact CD1-CD2 3.9Å; Y50-L131 HydrophobicContact CG-CD1 4.31Å; Y50-L131 HydrophobicContact CG-CD2 4.37Å; A53-L131 HydrophobicContact CB-CD2 3.66Å; V54-L131 HydrophobicContact CG1-CD1 4.33Å; 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 3.31Å; V127-L131 VanDerWaalsContact O-CG 3.26Å; V127-L131 WeakPolarHBondContact O-CG 3.41Å; V127-L131 PolarHBondContact O-N 3.01Å; L131-F134 HydrophobicContact CD2-CD1 4.46Å; L131-T135 WeakPolarHBondContact O-CB 3.47Å; L131-T135 VanDerWaalsContact O-CG2 3.26Å; L131-T135 WeakPolarHBondContact O-CG2 3.4Å; L131-T135 PolarHBondContact O-N 3.46Å; L131-T135 PolarHBondContact O-OG1 2.81Å; L131-P144 HydrophobicContact CB-CG 4.33Å; L131-P144 HydrophobicContact CD1-CG 3.5Å; L131-P144 VanDerWaalsContact CD1-CG 3.5Å; L131-P144 HydrophobicContact CG-CG 4.48Å; L131-Y149 HydrophobicContact CD1-CE1 4.14Å |
| 132 | L | 94.6 | Very high | 93.7 | Very high | 54 Ų | 54 | 59.2 Ų | 59.2 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 173 | 179.6 | 66.4 | 0 | 0 | 0 | 111.5 | R128 G129 T130 T135 K136 M143 | R128-L132 VanDerWaalsContact O-CB 3.24Å; R128-L132 WeakPolarHBondContact O-CB 3.22Å; R128-L132 PolarHBondContact O-N 2.9Å; G129-L132 PolarHBondContact O-N 3.26Å; T130-L132 VanDerWaalsContact C-N 3.31Å; T130-L132 PolarHBondContact O-N 3.17Å; L132-T135 PolarHBondContact O-OG1 2.85Å; L132-K136 WeakPolarHBondContact O-CG 3.41Å; L132-K136 PolarHBondContact O-N 3.27Å; L132-M143 HydrophobicContact CD1-CE 4.32Å; L132-M143 HydrophobicContact CD1-SD 4.28Å |
| 133 | E | 94.6 | Very high | 93.4 | Very high | 106 Ų | 106 | 58.4 Ų | 58.4 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.6 | -41.3 | 178.1 | -65.1 | -53 | 122.5 | 0 | 0 | 111.2 | G129 T130 T135 K136 T137 | G129-E133 PolarHBondContact O-N 2.87Å; T130-E133 PolarHBondContact O-N 3.48Å; E133-T135 PolarHBondContact O-N 3.41Å; E133-K136 PolarHBondContact O-N 2.86Å; E133-K136 IonicContact OE1-NZ 2.7Å; E133-K136 PolarHBondContact OE1-NZ 3.35Å; E133-K136 IonicContact OE2-NZ 3.62Å; E133-T137 PolarHBondContact O-N 2.88Å; E133-T137 PolarHBondContact O-OG1 2.89Å |
| 134 | F | 95.5 | Very high | 93.2 | Very high | 50 Ų | 50 | 58.3 Ų | 58.3 | 22% | 0.219 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.6 | -51.8 | 175.3 | 173.8 | -105.6 | 0 | 0 | 0 | 112.2 | V49 A53 T130 L131 K136 T137 S138 I141 | V49-F134 HydrophobicContact CG1-CE1 3.86Å; V49-F134 HydrophobicContact CG1-CZ 3.74Å; A53-F134 HydrophobicContact CB-CB 4.27Å; A53-F134 HydrophobicContact CB-CD1 3.72Å; A53-F134 HydrophobicContact CB-CD2 3.74Å; A53-F134 HydrophobicContact CB-CE1 3.9Å; A53-F134 HydrophobicContact CB-CE2 3.91Å; A53-F134 HydrophobicContact CB-CG 3.63Å; A53-F134 HydrophobicContact CB-CZ 3.99Å; T130-F134 WeakPolarHBondContact O-CB 3.35Å; T130-F134 PolarHBondContact O-N 2.97Å; L131-F134 HydrophobicContact CD2-CD1 4.46Å; F134-K136 VanDerWaalsContact C-N 3.27Å; F134-K136 PolarHBondContact O-N 2.91Å; F134-T137 PolarHBondContact O-N 3.36Å; F134-T137 PolarHBondContact O-OG1 3.25Å; F134-S138 WeakPolarHBondContact CD2-OG 3.22Å; F134-S138 WeakPolarHBondContact CE2-OG 3.31Å; F134-S138 VanDerWaalsContact CZ-OG 3.31Å; F134-S138 WeakPolarHBondContact CZ-OG 3.27Å; F134-S138 WeakPolarHBondContact O-CB 3.3Å; F134-S138 PolarHBondContact O-N 2.88Å; F134-S138 PolarHBondContact O-OG 2.9Å; F134-I141 HydrophobicContact CE1-CB 4.44Å; F134-I141 HydrophobicContact CE1-CG2 4.06Å |
| 135 | T | 92.8 | Very high | 92.9 | Very high | 23 Ų | 23 | 59.8 Ų | 59.8 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.7 | -24.3 | -177.1 | 50.2 | 0 | 0 | 0 | 0 | 113.9 | L131 L132 E133 T137 I141 M143 | L131-T135 WeakPolarHBondContact O-CB 3.47Å; L131-T135 VanDerWaalsContact O-CG2 3.26Å; L131-T135 WeakPolarHBondContact O-CG2 3.4Å; L131-T135 PolarHBondContact O-N 3.46Å; L131-T135 PolarHBondContact O-OG1 2.81Å; L132-T135 PolarHBondContact O-OG1 2.85Å; E133-T135 PolarHBondContact O-N 3.41Å; T135-T137 VanDerWaalsContact C-N 3.29Å; T135-I141 HydrophobicContact CG2-CG2 4.37Å; T135-M143 HydrophobicContact CG2-SD 4.01Å; T135-M143 PolarHBondContact OG1-SD 3.04Å |
| 136 | K | 92.6 | Very high | 92.7 | Very high | 130 Ų | 130 | 59 Ų | 59 | 57% | 0.565 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66 | -33.1 | 170.6 | -73.7 | 170.2 | -175.6 | 170.5 | 0 | 112.6 | L132 E133 F134 | L132-K136 WeakPolarHBondContact O-CG 3.41Å; L132-K136 PolarHBondContact O-N 3.27Å; E133-K136 PolarHBondContact O-N 2.86Å; E133-K136 IonicContact OE1-NZ 2.7Å; E133-K136 PolarHBondContact OE1-NZ 3.35Å; E133-K136 IonicContact OE2-NZ 3.62Å; F134-K136 VanDerWaalsContact C-N 3.27Å; F134-K136 PolarHBondContact O-N 2.91Å |
| 137 | T | 91.6 | Very high | 92.6 | Very high | 112 Ų | 112 | 57.6 Ų | 57.6 | 69% | 0.687 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -97.1 | -20.7 | -177.1 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | E133 F134 T135 | E133-T137 PolarHBondContact O-N 2.88Å; E133-T137 PolarHBondContact O-OG1 2.89Å; F134-T137 PolarHBondContact O-N 3.36Å; F134-T137 PolarHBondContact O-OG1 3.25Å; T135-T137 VanDerWaalsContact C-N 3.29Å |
| 138 | S | 88.5 | Confident | 92.5 | Very high | 29 Ų | 29 | 58.1 Ų | 58.1 | 20% | 0.203 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -96.2 | 98.9 | -177.6 | -63.8 | 0 | 0 | 0 | 0 | 111 | F134 N140 I141 | F134-S138 WeakPolarHBondContact CD2-OG 3.22Å; F134-S138 WeakPolarHBondContact CE2-OG 3.31Å; F134-S138 VanDerWaalsContact CZ-OG 3.31Å; F134-S138 WeakPolarHBondContact CZ-OG 3.27Å; F134-S138 WeakPolarHBondContact O-CB 3.3Å; F134-S138 PolarHBondContact O-N 2.88Å; F134-S138 PolarHBondContact O-OG 2.9Å; S138-N140 PolarHBondContact O-N 3.38Å; S138-I141 PolarHBondContact O-N 2.63Å |
| 139 | N | 81.5 | Confident | 92.5 | Very high | 146 Ų | 146 | 56.3 Ų | 56.3 | 78% | 0.781 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 134.3 | 174.7 | -75.1 | -17.6 | 0 | 0 | 0 | 111 | I141 | N139-I141 VanDerWaalsContact C-N 3.28Å; N139-I141 PolarHBondContact O-N 2.86Å |
| 140 | N | 85 | Confident | 92.6 | Very high | 163 Ų | 163 | 55 Ų | 55 | 87% | 0.872 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 4.4 | 176.4 | -52.8 | -40.2 | 0 | 0 | 0 | 117.4 | S138 P142 | S138-N140 PolarHBondContact O-N 3.38Å; N140-P142 WeakPolarHBondContact O-CD 3.33Å |
| 141 | I | 90 | Very high | 92.7 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | trans | -93.2 | 115.6 | 171.2 | -55 | -60.4 | 0 | 0 | 0 | 109.6 | L46 V49 Y50 F134 T135 S138 N139 | L46-I141 HydrophobicContact CD2-CD1 4.14Å; L46-I141 HydrophobicContact CD2-CG2 4.43Å; V49-I141 HydrophobicContact CG1-CD1 4.43Å; Y50-I141 HydrophobicContact CE1-CG2 3.73Å; F134-I141 HydrophobicContact CE1-CB 4.44Å; F134-I141 HydrophobicContact CE1-CG2 4.06Å; T135-I141 HydrophobicContact CG2-CG2 4.37Å; S138-I141 PolarHBondContact O-N 2.63Å; N139-I141 VanDerWaalsContact C-N 3.28Å; N139-I141 PolarHBondContact O-N 2.86Å | ||
| 142 | P | 90.8 | Very high | 92.8 | Very high | 53 Ų | 53 | 52.6 Ų | 52.6 | 34% | 0.344 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -74 | 164.3 | 179.6 | 32 | -35.2 | 0 | 0 | 0 | 111.3 | L46 Y50 N140 | L46-P142 HydrophobicContact CD1-CG 3.94Å; Y50-P142 PolarHBondContact OH-O 3.17Å; N140-P142 WeakPolarHBondContact O-CD 3.33Å |
| 143 | M | 92.1 | Very high | 93 | Very high | 64 Ų | 64 | 50 Ų | 50 | 32% | 0.315 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 142.8 | 165.6 | -77.1 | -64.4 | -73 | 0 | 0 | 110.9 | L132 T135 Y149 | L132-M143 HydrophobicContact CD1-CE 4.32Å; L132-M143 HydrophobicContact CD1-SD 4.28Å; T135-M143 HydrophobicContact CG2-SD 4.01Å; T135-M143 PolarHBondContact OG1-SD 3.04Å; M143-Y149 WeakPolarHBondContact CE-OH 3.41Å |
| 144 | P | 92.7 | Very high | 93.2 | Very high | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 145.6 | -178.5 | -18.1 | 26.8 | 0 | 0 | 0 | 112.7 | Y50 L131 H148 Y149 | Y50-P144 HydrophobicContact CD1-CG 4.09Å; Y50-P144 HydrophobicContact CD2-CB 4.15Å; Y50-P144 HydrophobicContact CD2-CG 4.18Å; Y50-P144 HydrophobicContact CE1-CG 3.87Å; Y50-P144 HydrophobicContact CE2-CB 3.79Å; Y50-P144 HydrophobicContact CE2-CG 3.98Å; Y50-P144 HydrophobicContact CG-CG 4.24Å; L131-P144 HydrophobicContact CB-CG 4.33Å; L131-P144 HydrophobicContact CD1-CG 3.5Å; L131-P144 VanDerWaalsContact CD1-CG 3.5Å; L131-P144 HydrophobicContact CG-CG 4.48Å; P144-H148 HydrophobicContact CB-CB 3.75Å; P144-Y149 HydrophobicContact CB-CD1 4.41Å; P144-Y149 HydrophobicContact CB-CD2 3.86Å; P144-Y149 HydrophobicContact CB-CE1 4.31Å; P144-Y149 HydrophobicContact CB-CE2 3.76Å; P144-Y149 HydrophobicContact CB-CG 4.18Å; P144-Y149 HydrophobicContact CG-CD1 4.48Å; P144-Y149 HydrophobicContact CG-CE1 3.99Å; P144-Y149 HydrophobicContact CG-CE2 4.03Å; P144-Y149 WeakPolarHBondContact O-CE2 3.22Å |
| 145 | S | 92.3 | Very high | 93.3 | Very high | 32 Ų | 32 | 42.6 Ų | 42.6 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 168.7 | 166.2 | 77.5 | 0 | 0 | 0 | 0 | 111.2 | L147 H148 Y149 | S145-L147 VanDerWaalsContact C-N 3.25Å; S145-L147 PolarHBondContact O-N 2.83Å; S145-H148 PolarHBondContact O-N 3.25Å; S145-H148 PolarHBondContact OG-ND1 2.9Å; S145-Y149 PolarHBondContact O-N 2.9Å |
| 146 | F | 94 | Very high | 93.6 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 10% | 0.096 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -46.7 | -48.9 | 176.8 | 178.6 | -88.8 | 0 | 0 | 0 | 112.9 | L21 S24 I25 V104 Y149 I150 | L21-F146 HydrophobicContact CD1-CD2 3.86Å; L21-F146 HydrophobicContact CD1-CE2 4.26Å; L21-F146 HydrophobicContact CD2-CD2 4.11Å; L21-F146 HydrophobicContact CD2-CE2 3.65Å; L21-F146 HydrophobicContact CD2-CZ 4.39Å; L21-F146 HydrophobicContact CG-CD2 3.63Å; L21-F146 HydrophobicContact CG-CE2 3.66Å; S24-F146 WeakPolarHBondContact OG-CA 3.43Å; S24-F146 WeakPolarHBondContact OG-CB 3.28Å; S24-F146 PolarHBondContact OG-N 3.38Å; I25-F146 HydrophobicContact CD1-CD2 3.71Å; I25-F146 HydrophobicContact CD1-CE2 4.09Å; I25-F146 HydrophobicContact CD1-CG 4.18Å; I25-F146 HydrophobicContact CG1-CB 3.74Å; I25-F146 HydrophobicContact CG1-CD2 3.68Å; I25-F146 HydrophobicContact CG1-CG 3.85Å; V104-F146 HydrophobicContact CG2-CE2 4.39Å; V104-F146 HydrophobicContact CG2-CZ 3.81Å; F146-Y149 WeakPolarHBondContact O-CB 3.36Å; F146-Y149 PolarHBondContact O-N 3.38Å; F146-I150 HydrophobicContact CD1-CG1 4.25Å; F146-I150 HydrophobicContact CE1-CG1 3.82Å; F146-I150 HydrophobicContact CZ-CD1 4.37Å; F146-I150 HydrophobicContact CZ-CG1 4.06Å; F146-I150 WeakPolarHBondContact O-CG1 3.28Å; F146-I150 PolarHBondContact O-N 3.15Å; F146-I150 VanDerWaalsContact O-N 3.08Å |
| 147 | L | 94 | Very high | 93.9 | Very high | 49 Ų | 49 | 36.9 Ų | 36.9 | 26% | 0.257 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -70.9 | -34.2 | -177.1 | -70.3 | 178 | 0 | 0 | 0 | 112.6 | S145 I150 F151 H178 | S145-L147 VanDerWaalsContact C-N 3.25Å; S145-L147 PolarHBondContact O-N 2.83Å; L147-I150 PolarHBondContact O-N 3.19Å; L147-F151 WeakPolarHBondContact O-CB 3.32Å; L147-F151 PolarHBondContact O-N 3.39Å; L147-H178 PolarHBondContact O-CD2 2.73Å |
| 148 | H | 95.4 | Very high | 94.2 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 5% | 0.051 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 173.1 | -69.7 | 94.4 | 0 | 0 | 0 | 111.1 | R43 S47 Y50 P144 S145 F151 V152 | R43-H148 PolarHBondContact O-NE2 2.99Å; S47-H148 PolarHBondContact OG-CD2 3.4Å; Y50-H148 HydrophobicContact CD2-CB 3.93Å; Y50-H148 AromaticContact CD2-CD2 3.9Å; Y50-H148 HydrophobicContact CE2-CB 3.9Å; Y50-H148 AromaticContact CE2-CD2 3.74Å; Y50-H148 AromaticContact CE2-CG 3.83Å; P144-H148 HydrophobicContact CB-CB 3.75Å; S145-H148 PolarHBondContact O-N 3.25Å; S145-H148 PolarHBondContact OG-ND1 2.9Å; H148-F151 PolarHBondContact O-N 3.07Å; H148-V152 VanDerWaalsContact O-CG2 3.27Å; H148-V152 WeakPolarHBondContact O-CG2 3.46Å; H148-V152 PolarHBondContact O-N 3.31Å |
| 149 | Y | 96.9 | Very high | 94.7 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.4 | -51.6 | 174.4 | -87.9 | -60.3 | 0 | 0 | 0 | 111.9 | L21 F124 V127 R128 L131 M143 P144 S145 F146 F151 V152 M153 | L21-Y149 HydrophobicContact CD1-CD2 3.99Å; L21-Y149 HydrophobicContact CD1-CG 4.03Å; F124-Y149 HydrophobicContact CE2-CD1 4.34Å; F124-Y149 HydrophobicContact CE2-CG 4.42Å; V127-Y149 HydrophobicContact CG1-CD1 3.94Å; V127-Y149 HydrophobicContact CG1-CE1 4.14Å; R128-Y149 HydrophobicContact CB-CE1 4.04Å; R128-Y149 HydrophobicContact CG-CE1 4.33Å; L131-Y149 HydrophobicContact CD1-CE1 4.14Å; M143-Y149 WeakPolarHBondContact CE-OH 3.41Å; P144-Y149 HydrophobicContact CB-CD1 4.41Å; P144-Y149 HydrophobicContact CB-CD2 3.86Å; P144-Y149 HydrophobicContact CB-CE1 4.31Å; P144-Y149 HydrophobicContact CB-CE2 3.76Å; P144-Y149 HydrophobicContact CB-CG 4.18Å; P144-Y149 HydrophobicContact CG-CD1 4.48Å; P144-Y149 HydrophobicContact CG-CE1 3.99Å; P144-Y149 HydrophobicContact CG-CE2 4.03Å; P144-Y149 WeakPolarHBondContact O-CE2 3.22Å; S145-Y149 PolarHBondContact O-N 2.9Å; F146-Y149 WeakPolarHBondContact O-CB 3.36Å; F146-Y149 PolarHBondContact O-N 3.38Å; Y149-F151 VanDerWaalsContact C-N 3.3Å; Y149-F151 PolarHBondContact O-N 2.9Å; Y149-V152 PolarHBondContact O-N 3.12Å; Y149-M153 VanDerWaalsContact O-CB 3.32Å; Y149-M153 WeakPolarHBondContact O-CB 3.47Å; Y149-M153 WeakPolarHBondContact O-CG 3.48Å; Y149-M153 PolarHBondContact O-N 2.69Å |
| 150 | I | 97.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.9 | -43.2 | 179.8 | -66.8 | -60.4 | 0 | 0 | 0 | 111.4 | L21 L96 V104 R107 F120 F146 L147 A154 | L21-I150 HydrophobicContact CD2-CD1 4.02Å; L96-I150 HydrophobicContact CD1-CG2 3.59Å; V104-I150 HydrophobicContact CG2-CD1 3.62Å; R107-I150 HydrophobicContact CB-CG2 4.21Å; F120-I150 HydrophobicContact CE2-CD1 3.9Å; F120-I150 HydrophobicContact CZ-CD1 3.91Å; F146-I150 HydrophobicContact CD1-CG1 4.25Å; F146-I150 HydrophobicContact CE1-CG1 3.82Å; F146-I150 HydrophobicContact CZ-CD1 4.37Å; F146-I150 HydrophobicContact CZ-CG1 4.06Å; F146-I150 WeakPolarHBondContact O-CG1 3.28Å; F146-I150 PolarHBondContact O-N 3.15Å; F146-I150 VanDerWaalsContact O-N 3.08Å; L147-I150 PolarHBondContact O-N 3.19Å; I150-A154 WeakPolarHBondContact O-CB 3.27Å; I150-A154 PolarHBondContact O-N 2.81Å |
| 151 | F | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.3 | -49.3 | 179.4 | 174.7 | -96.3 | 0 | 0 | 0 | 112.4 | L96 L147 H148 Y149 M153 A154 C155 F168 T179 I181 F182 | L96-F151 HydrophobicContact CD2-CB 4.42Å; L96-F151 HydrophobicContact CD2-CD2 3.83Å; L147-F151 WeakPolarHBondContact O-CB 3.32Å; L147-F151 PolarHBondContact O-N 3.39Å; H148-F151 PolarHBondContact O-N 3.07Å; Y149-F151 VanDerWaalsContact C-N 3.3Å; Y149-F151 PolarHBondContact O-N 2.9Å; F151-M153 VanDerWaalsContact C-N 3.31Å; F151-M153 PolarHBondContact O-N 3.02Å; F151-A154 WeakPolarHBondContact O-CB 3.39Å; F151-A154 PolarHBondContact O-N 3.43Å; F151-A154 VanDerWaalsContact O-N 3.09Å; F151-C155 WeakPolarHBondContact CZ-SG 3.43Å; F151-C155 PolarHBondContact O-N 2.88Å; F151-C155 PolarHBondContact O-SG 3.13Å; F151-F168 HydrophobicContact CD2-CD1 4.16Å; F151-F168 HydrophobicContact CD2-CE1 4.18Å; F151-F168 AromaticContact CE2-CD1 3.8Å; F151-F168 HydrophobicContact CE2-CD1 3.8Å; F151-F168 AromaticContact CE2-CE1 3.78Å; F151-F168 HydrophobicContact CE2-CE1 3.78Å; F151-T179 HydrophobicContact CD2-CG2 3.82Å; 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 3.86Å; F151-I181 HydrophobicContact CZ-CD1 3.64Å; F151-I181 HydrophobicContact CZ-CG1 3.6Å; F151-F182 HydrophobicContact CE2-CE2 4.15Å; F151-F182 AromaticContact CE2-CZ 3.7Å; F151-F182 HydrophobicContact CE2-CZ 3.7Å; F151-F182 HydrophobicContact CZ-CE1 4.22Å; F151-F182 HydrophobicContact CZ-CE2 4.43Å; F151-F182 AromaticContact CZ-CZ 3.79Å; F151-F182 HydrophobicContact CZ-CZ 3.79Å |
| 152 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 178.9 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | V54 V127 H148 Y149 A154 C155 K156 | V54-V152 HydrophobicContact CG1-CG1 4.1Å; V54-V152 HydrophobicContact CG2-CG1 3.62Å; V127-V152 HydrophobicContact CG1-CB 4.31Å; V127-V152 HydrophobicContact CG1-CG1 3.78Å; V127-V152 HydrophobicContact CG2-CG1 4.19Å; H148-V152 VanDerWaalsContact O-CG2 3.27Å; H148-V152 WeakPolarHBondContact O-CG2 3.46Å; H148-V152 PolarHBondContact O-N 3.31Å; Y149-V152 PolarHBondContact O-N 3.12Å; V152-A154 VanDerWaalsContact C-N 3.32Å; V152-A154 PolarHBondContact O-N 2.65Å; V152-C155 PolarHBondContact O-N 2.74Å; V152-K156 WeakPolarHBondContact O-CB 3.26Å; V152-K156 PolarHBondContact O-N 3.48Å |
| 153 | M | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.7 | -39.2 | 174 | -72.4 | 170.4 | 54.2 | 0 | 0 | 112.2 | I108 F120 L123 F124 V127 Y149 F151 A157 | I108-M153 HydrophobicContact CD1-CB 3.85Å; I108-M153 HydrophobicContact CD1-CE 4.24Å; F120-M153 HydrophobicContact CD1-CE 4.15Å; F120-M153 HydrophobicContact CD2-CE 3.67Å; F120-M153 HydrophobicContact CE1-CE 3.96Å; F120-M153 HydrophobicContact CE2-CE 3.44Å; F120-M153 VanDerWaalsContact CE2-CE 3.44Å; F120-M153 HydrophobicContact CG-CE 4Å; F120-M153 HydrophobicContact CZ-CE 3.59Å; F120-M153 HydrophobicContact CZ-SD 4.46Å; L123-M153 HydrophobicContact CB-CE 4.02Å; L123-M153 HydrophobicContact CB-CG 4.29Å; F124-M153 HydrophobicContact CB-CE 4.01Å; F124-M153 HydrophobicContact CB-SD 3.9Å; F124-M153 HydrophobicContact CD2-SD 4.02Å; F124-M153 HydrophobicContact CG-SD 4.48Å; V127-M153 HydrophobicContact CB-CG 4.32Å; V127-M153 HydrophobicContact CG2-CG 4.05Å; Y149-M153 VanDerWaalsContact O-CB 3.32Å; Y149-M153 WeakPolarHBondContact O-CB 3.47Å; Y149-M153 WeakPolarHBondContact O-CG 3.48Å; Y149-M153 PolarHBondContact O-N 2.69Å; F151-M153 VanDerWaalsContact C-N 3.31Å; F151-M153 PolarHBondContact O-N 3.02Å; M153-A157 VanDerWaalsContact O-CB 3.31Å; M153-A157 WeakPolarHBondContact O-CB 3.45Å; M153-A157 PolarHBondContact O-N 3.47Å |
| 154 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.7 | -47.5 | 177.4 | 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 3.98Å; L96-A154 HydrophobicContact CD2-CB 4.14Å; L96-A154 HydrophobicContact CG-CB 4.31Å; I108-A154 HydrophobicContact CD1-CB 4.21Å; I108-A154 HydrophobicContact CG1-CB 4.05Å; I108-A154 HydrophobicContact CG2-CB 4.32Å; I150-A154 WeakPolarHBondContact O-CB 3.27Å; I150-A154 PolarHBondContact O-N 2.81Å; F151-A154 WeakPolarHBondContact O-CB 3.39Å; F151-A154 PolarHBondContact O-N 3.43Å; F151-A154 VanDerWaalsContact O-N 3.09Å; V152-A154 VanDerWaalsContact C-N 3.32Å; V152-A154 PolarHBondContact O-N 2.65Å; A154-K156 VanDerWaalsContact C-N 3.31Å; A154-K156 PolarHBondContact O-N 3.42Å; A154-A157 PolarHBondContact O-N 3.33Å; A154-F158 HydrophobicContact CB-CE2 4.34Å; A154-F158 HydrophobicContact CB-CZ 4.14Å; A154-F158 VanDerWaalsContact O-CD1 3.28Å; A154-F158 WeakPolarHBondContact O-CD1 3.25Å; A154-F158 WeakPolarHBondContact O-CG 3.47Å; A154-F158 PolarHBondContact O-N 3.5Å |
| 155 | C | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.2 | -48 | 174.3 | -68.8 | 0 | 0 | 0 | 0 | 111 | I56 L61 F151 V152 A157 F158 I159 | I56-C155 HydrophobicContact CD1-CB 3.91Å; L61-C155 HydrophobicContact CD2-CB 4.05Å; F151-C155 WeakPolarHBondContact CZ-SG 3.43Å; F151-C155 PolarHBondContact O-N 2.88Å; F151-C155 PolarHBondContact O-SG 3.13Å; V152-C155 PolarHBondContact O-N 2.74Å; C155-A157 PolarHBondContact O-N 2.85Å; C155-F158 PolarHBondContact O-N 3.35Å; C155-I159 WeakPolarHBondContact O-CD1 3.42Å; C155-I159 VanDerWaalsContact O-CG1 3.3Å; C155-I159 WeakPolarHBondContact O-CG1 3.36Å; C155-I159 PolarHBondContact O-N 2.88Å |
| 156 | K | 98.5 | Very high | 97.8 | Very high | 34 Ų | 34 | 25.6 Ų | 25.6 | 15% | 0.148 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.4 | -48.6 | 177.6 | -175.5 | 159.9 | 177.1 | 38.6 | 0 | 112.1 | I56 L123 D126 V127 V152 A154 F158 I159 D160 | I56-K156 HydrophobicContact CD1-CB 4.08Å; L123-K156 HydrophobicContact CD2-CB 4.19Å; L123-K156 HydrophobicContact CD2-CD 4.13Å; L123-K156 HydrophobicContact CD2-CG 3.83Å; D126-K156 WeakPolarHBondContact OD2-CE 3.44Å; D126-K156 IonicContact OD2-NZ 2.77Å; V127-K156 HydrophobicContact CG2-CD 4.07Å; V152-K156 WeakPolarHBondContact O-CB 3.26Å; V152-K156 PolarHBondContact O-N 3.48Å; A154-K156 VanDerWaalsContact C-N 3.31Å; A154-K156 PolarHBondContact O-N 3.42Å; K156-F158 VanDerWaalsContact C-N 3.32Å; K156-F158 PolarHBondContact O-N 3.49Å; K156-I159 PolarHBondContact O-N 3.46Å; K156-D160 WeakPolarHBondContact CG-OD2 3.37Å; K156-D160 IonicContact NZ-OD1 3.8Å; K156-D160 PolarHBondContact NZ-OD1 2.78Å; K156-D160 IonicContact NZ-OD2 3.69Å; K156-D160 PolarHBondContact NZ-OD2 3.42Å; K156-D160 WeakPolarHBondContact O-CB 3.38Å; K156-D160 PolarHBondContact O-N 2.95Å |
| 157 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I108 L123 M153 A154 C155 E161 | I108-A157 HydrophobicContact CG2-CB 4.05Å; L123-A157 HydrophobicContact CD1-CB 3.75Å; M153-A157 VanDerWaalsContact O-CB 3.31Å; M153-A157 WeakPolarHBondContact O-CB 3.45Å; M153-A157 PolarHBondContact O-N 3.47Å; A154-A157 PolarHBondContact O-N 3.33Å; C155-A157 PolarHBondContact O-N 2.85Å; A157-E161 WeakPolarHBondContact O-CB 3.08Å; A157-E161 WeakPolarHBondContact O-CG 3.42Å; A157-E161 PolarHBondContact O-N 2.88Å |
| 158 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.8 | -39.1 | -177.8 | -61.3 | -8.7 | 0 | 0 | 0 | 111.7 | L64 G94 F95 L96 I108 I110 A154 C155 K156 K162 V163 F168 | L64-F158 HydrophobicContact CD1-CB 4.13Å; L64-F158 HydrophobicContact CD2-CB 3.85Å; G94-F158 VanDerWaalsContact C-CZ 3.48Å; F95-F158 VanDerWaalsContact C-CZ 3.48Å; L96-F158 HydrophobicContact CB-CE2 4.42Å; L96-F158 HydrophobicContact CB-CZ 4.35Å; I108-F158 HydrophobicContact CG2-CE1 3.81Å; I108-F158 HydrophobicContact CG2-CZ 4.4Å; I110-F158 HydrophobicContact CD1-CD1 3.45Å; I110-F158 VanDerWaalsContact CD1-CD1 3.45Å; I110-F158 HydrophobicContact CD1-CE1 3.79Å; A154-F158 HydrophobicContact CB-CE2 4.34Å; A154-F158 HydrophobicContact CB-CZ 4.14Å; A154-F158 VanDerWaalsContact O-CD1 3.28Å; A154-F158 WeakPolarHBondContact O-CD1 3.25Å; A154-F158 WeakPolarHBondContact O-CG 3.47Å; A154-F158 PolarHBondContact O-N 3.5Å; C155-F158 PolarHBondContact O-N 3.35Å; K156-F158 VanDerWaalsContact C-N 3.32Å; K156-F158 PolarHBondContact O-N 3.49Å; F158-K162 PolarHBondContact O-N 3.02Å; F158-K162 VanDerWaalsContact O-N 3.11Å; F158-V163 HydrophobicContact CB-CB 4.08Å; F158-V163 HydrophobicContact CB-CG1 4.41Å; F158-V163 HydrophobicContact CB-CG2 4.17Å; F158-V163 HydrophobicContact CD1-CG2 4.44Å; F158-V163 HydrophobicContact CG-CG2 4.5Å; F158-V163 WeakPolarHBondContact O-CB 3.36Å; F158-V163 PolarHBondContact O-N 3.41Å; F158-F168 HydrophobicContact CD2-CE1 4.38Å; F158-F168 HydrophobicContact CD2-CE2 4.06Å; F158-F168 AromaticContact CD2-CZ 3.6Å; F158-F168 HydrophobicContact CD2-CZ 3.6Å; F158-F168 HydrophobicContact CE2-CE1 4.02Å; F158-F168 HydrophobicContact CE2-CE2 4.05Å; F158-F168 AromaticContact CE2-CZ 3.61Å; F158-F168 HydrophobicContact CE2-CZ 3.61Å |
| 159 | I | 98.6 | Very high | 98.4 | Very high | 26 Ų | 26 | 22.3 Ų | 22.3 | 13% | 0.133 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.3 | -50.6 | 175.7 | -68.4 | 164.6 | 0 | 0 | 0 | 110.7 | I56 Q60 L61 L64 C155 K156 E161 K162 | I56-I159 HydrophobicContact CB-CD1 4.29Å; I56-I159 HydrophobicContact CD1-CD1 4.22Å; I56-I159 HydrophobicContact CG1-CD1 3.93Å; I56-I159 HydrophobicContact CG2-CD1 3.47Å; I56-I159 VanDerWaalsContact CG2-CD1 3.47Å; Q60-I159 HydrophobicContact CB-CD1 3.78Å; Q60-I159 HydrophobicContact CB-CG1 4.18Å; Q60-I159 HydrophobicContact CB-CG2 4.38Å; L61-I159 HydrophobicContact CD2-CD1 4.35Å; L64-I159 HydrophobicContact CD1-CG1 4.22Å; L64-I159 HydrophobicContact CD2-CG1 4.28Å; L64-I159 HydrophobicContact CG-CG1 4.4Å; C155-I159 WeakPolarHBondContact O-CD1 3.42Å; C155-I159 VanDerWaalsContact O-CG1 3.3Å; C155-I159 WeakPolarHBondContact O-CG1 3.36Å; C155-I159 PolarHBondContact O-N 2.88Å; K156-I159 PolarHBondContact O-N 3.46Å; I159-E161 VanDerWaalsContact C-N 3.26Å; I159-E161 PolarHBondContact O-N 3.49Å; I159-K162 PolarHBondContact O-N 2.88Å |
| 160 | D | 97.9 | Very high | 98.5 | Very high | 85 Ų | 85 | 21.9 Ų | 21.9 | 46% | 0.455 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -61.9 | -37.3 | -178.4 | -69.9 | -13.9 | 0 | 0 | 0 | 111.1 | K156 K162 | K156-D160 WeakPolarHBondContact CG-OD2 3.37Å; K156-D160 IonicContact NZ-OD1 3.8Å; K156-D160 PolarHBondContact NZ-OD1 2.78Å; K156-D160 IonicContact NZ-OD2 3.69Å; K156-D160 PolarHBondContact NZ-OD2 3.42Å; K156-D160 WeakPolarHBondContact O-CB 3.38Å; K156-D160 PolarHBondContact O-N 2.95Å; D160-K162 VanDerWaalsContact C-N 3.3Å; D160-K162 PolarHBondContact O-N 3.32Å |
| 161 | E | 98.2 | Very high | 98.2 | Very high | 58 Ų | 58 | 22.9 Ų | 22.9 | 27% | 0.271 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 3.9 | 175.6 | -64.3 | -69 | 171.6 | 0 | 0 | 113.6 | R92 I110 H119 A157 I159 V163 | R92-E161 VanDerWaalsContact CD-O 3.29Å; R92-E161 WeakPolarHBondContact CD-O 3.29Å; R92-E161 IonicContact CZ-OE2 2.66Å; R92-E161 PolarHBondContact NE-O 3.32Å; R92-E161 VanDerWaalsContact NE-O 3.1Å; R92-E161 PolarHBondContact NH1-O 3.45Å; R92-E161 IonicContact NH1-OE2 3.56Å; R92-E161 IonicContact NH2-OE2 3.39Å; R92-E161 PolarHBondContact NH2-OE2 3.21Å; I110-E161 HydrophobicContact CD1-CB 4.2Å; I110-E161 HydrophobicContact CD1-CG 4.23Å; I110-E161 HydrophobicContact CG1-CG 4.29Å; I110-E161 HydrophobicContact CG2-CB 4.49Å; H119-E161 IonicContact CE1-OE1 3.89Å; H119-E161 PolarHBondContact CE1-OE1 3.43Å; A157-E161 WeakPolarHBondContact O-CB 3.08Å; A157-E161 WeakPolarHBondContact O-CG 3.42Å; A157-E161 PolarHBondContact O-N 2.88Å; I159-E161 VanDerWaalsContact C-N 3.26Å; I159-E161 PolarHBondContact O-N 3.49Å; E161-V163 VanDerWaalsContact C-N 3.3Å; E161-V163 HydrophobicContact CB-CG2 4.47Å; E161-V163 PolarHBondContact O-N 3.31Å |
| 162 | K | 98.2 | Very high | 97.9 | Very high | 167 Ų | 167 | 24.1 Ų | 24.1 | 73% | 0.726 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 49.6 | 177.5 | -53.5 | 179.9 | -178 | -178.2 | 0 | 112.6 | F158 I159 D160 | F158-K162 PolarHBondContact O-N 3.02Å; F158-K162 VanDerWaalsContact O-N 3.11Å; I159-K162 PolarHBondContact O-N 2.88Å; D160-K162 VanDerWaalsContact C-N 3.3Å; D160-K162 PolarHBondContact O-N 3.32Å |
| 163 | V | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 24.2 Ų | 24.2 | 4% | 0.036 | 12% | 0.123 | C | C | . | . | trans | -66 | 137 | 174.5 | 158 | 0 | 0 | 0 | 0 | 109.7 | L64 R92 I110 F158 E161 V165 | L64-V163 HydrophobicContact CD2-CB 4.3Å; L64-V163 HydrophobicContact CD2-CG1 4.41Å; R92-V163 HydrophobicContact CG-CG2 4.29Å; R92-V163 WeakPolarHBondContact O-CG1 3.17Å; I110-V163 HydrophobicContact CD1-CG2 3.93Å; F158-V163 HydrophobicContact CB-CB 4.08Å; F158-V163 HydrophobicContact CB-CG1 4.41Å; F158-V163 HydrophobicContact CB-CG2 4.17Å; F158-V163 HydrophobicContact CD1-CG2 4.44Å; F158-V163 HydrophobicContact CG-CG2 4.5Å; F158-V163 WeakPolarHBondContact O-CB 3.36Å; F158-V163 PolarHBondContact O-N 3.41Å; E161-V163 VanDerWaalsContact C-N 3.3Å; E161-V163 HydrophobicContact CB-CG2 4.47Å; E161-V163 PolarHBondContact O-N 3.31Å; V163-V165 WeakPolarHBondContact CG1-O 3.42Å | ||
| 164 | D | 98.5 | Very high | 97.7 | Very high | 69 Ų | 69 | 24.2 Ų | 24.2 | 37% | 0.369 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -79.8 | -30 | 176.6 | -56.9 | -54 | 0 | 0 | 0 | 111.9 | H65 F91 R92 | H65-D164 PolarHBondContact ND1-O 2.8Å; F91-D164 HydrophobicContact CB-CB 4.32Å; F91-D164 HydrophobicContact CD1-CB 4Å; R92-D164 WeakPolarHBondContact CB-OD2 3.36Å; R92-D164 PolarHBondContact N-OD2 2.94Å; R92-D164 PolarHBondContact O-N 2.83Å |
| 165 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 120.3 | -177.9 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | L64 I67 L86 F91 R92 T93 G94 V163 I167 W294 | L64-V165 CarbonylContact O-C 3.55Å; L64-V165 VanDerWaalsContact O-CA 3.27Å; L64-V165 WeakPolarHBondContact O-CA 3.11Å; I67-V165 HydrophobicContact CD1-CG2 3.95Å; I67-V165 HydrophobicContact CG1-CG2 4.17Å; L86-V165 HydrophobicContact CB-CG1 4.32Å; L86-V165 HydrophobicContact CD1-CB 4.36Å; L86-V165 HydrophobicContact CD1-CG1 3.87Å; L86-V165 HydrophobicContact CD1-CG2 3.86Å; F91-V165 HydrophobicContact CB-CG1 4.38Å; R92-V165 PolarHBondContact O-N 3.34Å; T93-V165 HydrophobicContact CG2-CG1 3.73Å; G94-V165 PolarHBondContact N-O 2.72Å; V163-V165 WeakPolarHBondContact CG1-O 3.42Å; V165-I167 HydrophobicContact CG2-CG1 4.27Å; V165-W294 HydrophobicContact CB-CH2 4.02Å; V165-W294 HydrophobicContact CB-CZ2 3.53Å; V165-W294 HydrophobicContact CG2-CH2 4.36Å; V165-W294 HydrophobicContact CG2-CZ2 3.58Å |
| 166 | G | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 114.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L64 I66 I67 F168 | L64-G166 PolarHBondContact O-N 2.58Å; I66-G166 WeakPolarHBondContact CA-O 3.03Å; I67-G166 PolarHBondContact N-O 3.28Å; G166-F168 WeakPolarHBondContact O-CD2 3.47Å |
| 167 | I | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.6 | 177.1 | -55.8 | 160.7 | 0 | 0 | 0 | 107.9 | I67 C79 I82 E83 G94 F95 L96 V165 | I67-I167 HydrophobicContact CB-CG1 4.4Å; I67-I167 HydrophobicContact CD1-CG1 4.46Å; I67-I167 WeakPolarHBondContact O-CA 3.45Å; C79-I167 HydrophobicContact CB-CG2 3.85Å; I82-I167 HydrophobicContact CG2-CD1 3.91Å; I82-I167 HydrophobicContact CG2-CG1 4.28Å; E83-I167 VanDerWaalsContact CA-CD1 3.47Å; E83-I167 HydrophobicContact CB-CD1 3.64Å; E83-I167 HydrophobicContact CG-CD1 4.19Å; G94-I167 PolarHBondContact O-N 3.1Å; F95-I167 CarbonylContact C-O 3.48Å; F95-I167 WeakPolarHBondContact CA-O 3.28Å; F95-I167 HydrophobicContact CB-CB 4.36Å; F95-I167 HydrophobicContact CD2-CB 4.23Å; F95-I167 HydrophobicContact CD2-CG2 4.05Å; F95-I167 WeakPolarHBondContact CD2-O 3.31Å; L96-I167 PolarHBondContact N-O 3.15Å; V165-I167 HydrophobicContact CG2-CG1 4.27Å |
| 168 | F | 98.8 | Very high | 97.1 | 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 | -116.4 | 115.4 | -175.5 | -69.6 | -98.6 | 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 3.34Å; I66-F168 HydrophobicContact CD1-CZ 4.24Å; I66-F168 HydrophobicContact CG2-CD2 4Å; I67-F168 PolarHBondContact O-N 3.43Å; H68-F168 PolarHBondContact CD2-O 3.1Å; V69-F168 PolarHBondContact N-O 2.58Å; L96-F168 HydrophobicContact CB-CD1 3.86Å; L96-F168 HydrophobicContact CB-CE1 4.22Å; L96-F168 HydrophobicContact CD2-CD1 3.73Å; L96-F168 HydrophobicContact CD2-CE1 4.14Å; L96-F168 HydrophobicContact CG-CD1 4.4Å; F151-F168 HydrophobicContact CD2-CD1 4.16Å; F151-F168 HydrophobicContact CD2-CE1 4.18Å; F151-F168 AromaticContact CE2-CD1 3.8Å; F151-F168 HydrophobicContact CE2-CD1 3.8Å; F151-F168 AromaticContact CE2-CE1 3.78Å; F151-F168 HydrophobicContact CE2-CE1 3.78Å; F158-F168 HydrophobicContact CD2-CE1 4.38Å; F158-F168 HydrophobicContact CD2-CE2 4.06Å; F158-F168 AromaticContact CD2-CZ 3.6Å; F158-F168 HydrophobicContact CD2-CZ 3.6Å; F158-F168 HydrophobicContact CE2-CE1 4.02Å; F158-F168 HydrophobicContact CE2-CE2 4.05Å; F158-F168 AromaticContact CE2-CZ 3.61Å; F158-F168 HydrophobicContact CE2-CZ 3.61Å; G166-F168 WeakPolarHBondContact O-CD2 3.47Å; F168-F182 HydrophobicContact CB-CE2 4.07Å; F168-F182 HydrophobicContact CD1-CE2 4.05Å; F168-F182 AromaticContact CD1-CZ 3.74Å; F168-F182 HydrophobicContact CD1-CZ 3.74Å; F168-F182 AromaticContact CD2-CE2 3.92Å; F168-F182 HydrophobicContact CD2-CE2 3.92Å; F168-F182 AromaticContact CD2-CZ 3.71Å; F168-F182 HydrophobicContact CD2-CZ 3.71Å; F168-F182 AromaticContact CE1-CZ 3.76Å; F168-F182 HydrophobicContact CE1-CZ 3.76Å; F168-F182 HydrophobicContact CE2-CE1 4.37Å; F168-F182 HydrophobicContact CE2-CE2 4.4Å; F168-F182 AromaticContact CE2-CZ 3.72Å; F168-F182 HydrophobicContact CE2-CZ 3.72Å; F168-F182 AromaticContact CG-CE2 3.73Å; F168-F182 HydrophobicContact CG-CE2 3.73Å; F168-F182 AromaticContact CG-CZ 3.73Å; F168-F182 HydrophobicContact CG-CZ 3.73Å; F168-F182 HydrophobicContact CZ-CE1 4.38Å; F168-F182 AromaticContact CZ-CZ 3.73Å; F168-F182 HydrophobicContact CZ-CZ 3.73Å |
| 169 | E | 98.6 | Very high | 97 | Very high | 13 Ų | 13 | 27.5 Ų | 27.5 | 6% | 0.061 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.7 | 170 | 178.7 | 172.2 | -159.7 | 0 | 0 | 110.3 | K75 G76 F95 L96 S97 S98 G171 | K75-E169 HydrophobicContact CB-CG 3.97Å; K75-E169 WeakPolarHBondContact CB-OE1 3.48Å; K75-E169 HydrophobicContact CD-CG 4.21Å; G76-E169 PolarHBondContact N-OE1 2.67Å; F95-E169 HydrophobicContact CE2-CB 4.14Å; L96-E169 VanDerWaalsContact O-CB 3.3Å; L96-E169 WeakPolarHBondContact O-CB 3.15Å; L96-E169 PolarHBondContact O-N 3.28Å; S97-E169 WeakPolarHBondContact CA-OE2 3.42Å; S98-E169 PolarHBondContact N-OE2 2.96Å; E169-G171 PolarHBondContact O-N 2.82Å |
| 170 | V | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -63.5 | 131 | 171.5 | 168.7 | 0 | 0 | 0 | 0 | 110 | H68 V69 K75 D177 I215 | H68-V170 VanDerWaalsContact NE2-CG2 3.28Å; H68-V170 WeakPolarHBondContact NE2-CG2 3.33Å; V69-V170 WeakPolarHBondContact O-CB 3.47Å; V69-V170 PolarHBondContact O-N 3.35Å; K75-V170 VanDerWaalsContact CE-O 3.31Å; K75-V170 WeakPolarHBondContact CE-O 3.22Å; V170-D177 HydrophobicContact CG1-CB 3.82Å; V170-I215 HydrophobicContact CG2-CG2 4.08Å | ||
| 171 | G | 93.2 | Very high | 96.9 | Very high | 23 Ų | 23 | 23.8 Ų | 23.8 | 24% | 0.237 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -66.2 | -54.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E169 D177 | E169-G171 PolarHBondContact O-N 2.82Å; G171-D177 PolarHBondContact N-OD1 3.39Å |
| 172 | I | 91.6 | Very high | 96.8 | Very high | 25 Ų | 25 | 21.4 Ų | 21.4 | 13% | 0.128 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -152.9 | 135 | -179.9 | -177.3 | 175.3 | 0 | 0 | 0 | 111.2 | G174 D177 H197 I200 L201 | I172-G174 PolarHBondContact O-N 3.23Å; I172-G174 VanDerWaalsContact O-N 3.17Å; I172-D177 PolarHBondContact N-OD2 2.79Å; I172-H197 HydrophobicContact CD1-CB 3.75Å; I172-H197 HydrophobicContact CG1-CB 4.42Å; I172-I200 HydrophobicContact CD1-CB 4.33Å; I172-I200 HydrophobicContact CD1-CD1 3.64Å; I172-I200 HydrophobicContact CD1-CG2 4.18Å; I172-L201 HydrophobicContact CG1-CD1 4.28Å; I172-L201 HydrophobicContact CG1-CD2 4.24Å; I172-L201 HydrophobicContact CG1-CG 4.44Å |
| 173 | G | 94.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 70.6 | -106.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T70 A211 K212 | T70-G173 PolarHBondContact OG1-O 2.87Å; G173-A211 CarbonylContact C-O 3.54Å; G173-K212 VanDerWaalsContact O-CG 3.28Å; G173-K212 WeakPolarHBondContact O-CG 3.3Å |
| 174 | G | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 162.1 | -68 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | I172 Y176 D177 N180 A211 | I172-G174 PolarHBondContact O-N 3.23Å; I172-G174 VanDerWaalsContact O-N 3.17Å; G174-Y176 VanDerWaalsContact C-N 3.27Å; G174-Y176 PolarHBondContact O-N 2.98Å; G174-Y176 VanDerWaalsContact O-N 3.12Å; G174-D177 WeakPolarHBondContact O-CB 3.33Å; G174-D177 PolarHBondContact O-N 3.39Å; G174-N180 WeakPolarHBondContact O-CB 3.01Å; G174-N180 PolarHBondContact O-ND2 3.12Å; G174-A211 CarbonylContact C-O 3.5Å; G174-A211 WeakPolarHBondContact CA-O 3.43Å; G174-A211 PolarHBondContact N-O 3.19Å |
| 175 | R | 96.9 | Very high | 96.3 | Very high | 50 Ų | 50 | 20 Ų | 20 | 19% | 0.189 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46 | -48 | -177.9 | -168.1 | 174.5 | -65.8 | -108.8 | -5.5 | 113.7 | N180 W210 A211 E239 | R175-N180 PolarHBondContact O-ND2 3.48Å; R175-W210 VanDerWaalsContact CD-CZ2 3.47Å; R175-W210 VanDerWaalsContact NE-CE2 3.34Å; R175-W210 PolarHBondContact NE-O 2.87Å; R175-W210 VanDerWaalsContact NH2-NE1 3.17Å; R175-W210 PolarHBondContact NH2-O 3.17Å; R175-W210 VanDerWaalsContact NH2-O 3.12Å; R175-A211 PolarHBondContact N-O 2.92Å; R175-E239 IonicContact CZ-OE2 3.86Å; R175-E239 IonicContact NH1-OE2 3.43Å; R175-E239 IonicContact NH2-OE1 2.81Å; R175-E239 PolarHBondContact NH2-OE1 3.28Å; R175-E239 IonicContact NH2-OE2 3.02Å; R175-E239 PolarHBondContact NH2-OE2 3.31Å |
| 176 | Y | 95.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 20.7 Ų | 20.7 | 15% | 0.149 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 28.2 | -178.3 | -49.5 | -58.4 | 0 | 0 | 0 | 112.6 | E41 Y44 G174 W210 | E41-Y176 HydrophobicContact CB-CD1 3.87Å; E41-Y176 HydrophobicContact CB-CD2 4.3Å; E41-Y176 HydrophobicContact CB-CE1 3.76Å; E41-Y176 HydrophobicContact CB-CE2 4.25Å; E41-Y176 HydrophobicContact CB-CG 4.1Å; E41-Y176 VanDerWaalsContact CD-OH 3.24Å; E41-Y176 HydrophobicContact CG-CD1 4.09Å; E41-Y176 HydrophobicContact CG-CE1 3.54Å; E41-Y176 PolarHBondContact OE1-OH 3.1Å; Y44-Y176 AromaticContact CD1-CD1 3.73Å; Y44-Y176 HydrophobicContact CD1-CD1 3.73Å; Y44-Y176 AromaticContact CE1-CD1 3.84Å; Y44-Y176 HydrophobicContact CE1-CD1 3.84Å; Y44-Y176 HydrophobicContact CE1-CE1 4.31Å; Y44-Y176 HydrophobicContact CG-CD1 4.41Å; G174-Y176 VanDerWaalsContact C-N 3.27Å; G174-Y176 PolarHBondContact O-N 2.98Å; G174-Y176 VanDerWaalsContact O-N 3.12Å; Y176-W210 AromaticContact CE2-CH2 3.86Å; Y176-W210 HydrophobicContact CE2-CH2 3.86Å; Y176-W210 HydrophobicContact CE2-CZ3 4.06Å |
| 177 | D | 95.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -83.1 | 144.7 | 171.4 | -167.6 | -111.7 | 0 | 0 | 0 | 110.6 | V170 G171 I172 G174 T179 N180 | V170-D177 HydrophobicContact CG1-CB 3.82Å; G171-D177 PolarHBondContact N-OD1 3.39Å; I172-D177 PolarHBondContact N-OD2 2.79Å; G174-D177 WeakPolarHBondContact O-CB 3.33Å; G174-D177 PolarHBondContact O-N 3.39Å; D177-T179 PolarHBondContact O-N 2.87Å; D177-T179 WeakPolarHBondContact OD1-CB 3.5Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.42Å; D177-T179 PolarHBondContact OD1-N 2.84Å; D177-T179 VanDerWaalsContact OD1-N 3.17Å; D177-T179 PolarHBondContact OD1-OG1 2.66Å; D177-N180 WeakPolarHBondContact O-CB 3.27Å; D177-N180 PolarHBondContact O-N 3.39Å |
| 178 | H | 94.2 | Very high | 96.1 | Very high | 14 Ų | 14 | 20.7 Ų | 20.7 | 7% | 0.065 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -17 | 177.2 | 64.3 | -66 | 0 | 0 | 0 | 114.2 | S47 L147 | S47-H178 WeakPolarHBondContact CB-O 3.28Å; S47-H178 PolarHBondContact OG-O 2.91Å; L147-H178 PolarHBondContact O-CD2 2.73Å |
| 179 | T | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -13.3 | 173.4 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | H68 L96 F151 D177 I181 F182 | H68-T179 WeakPolarHBondContact NE2-CB 3.39Å; H68-T179 PolarHBondContact NE2-OG1 3.14Å; L96-T179 HydrophobicContact CD2-CG2 4.21Å; F151-T179 HydrophobicContact CD2-CG2 3.82Å; F151-T179 HydrophobicContact CE2-CG2 4.18Å; D177-T179 PolarHBondContact O-N 2.87Å; D177-T179 WeakPolarHBondContact OD1-CB 3.5Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.42Å; D177-T179 PolarHBondContact OD1-N 2.84Å; D177-T179 VanDerWaalsContact OD1-N 3.17Å; D177-T179 PolarHBondContact OD1-OG1 2.66Å; T179-I181 PolarHBondContact O-N 2.98Å; T179-F182 VanDerWaalsContact O-CD2 3.31Å; T179-F182 WeakPolarHBondContact O-CD2 3.37Å; T179-F182 VanDerWaalsContact O-CE2 3.22Å; T179-F182 WeakPolarHBondContact O-CE2 3.36Å |
| 180 | N | 97.3 | Very high | 96.1 | Very high | 9 Ų | 9 | 20.1 Ų | 20.1 | 5% | 0.048 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 50.8 | -170.7 | -166 | 26.5 | 0 | 0 | 0 | 114.2 | G174 R175 D177 G214 K217 | G174-N180 WeakPolarHBondContact O-CB 3.01Å; G174-N180 PolarHBondContact O-ND2 3.12Å; R175-N180 PolarHBondContact O-ND2 3.48Å; D177-N180 WeakPolarHBondContact O-CB 3.27Å; D177-N180 PolarHBondContact O-N 3.39Å; N180-G214 PolarHBondContact ND2-O 3.26Å; N180-K217 VanDerWaalsContact OD1-CE 3.28Å; N180-K217 WeakPolarHBondContact OD1-CE 3.29Å; N180-K217 PolarHBondContact OD1-NZ 3.17Å |
| 181 | I | 96.7 | Very high | 96.1 | Very high | 25 Ų | 25 | 20.1 Ų | 20.1 | 13% | 0.128 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -12.2 | 176.3 | 66.2 | 158.5 | 0 | 0 | 0 | 113.6 | A48 L61 F151 T179 K183 | A48-I181 HydrophobicContact CB-CB 4.13Å; A48-I181 HydrophobicContact CB-CD1 4.19Å; A48-I181 HydrophobicContact CB-CG2 4.02Å; L61-I181 HydrophobicContact CD1-CD1 4.06Å; F151-I181 HydrophobicContact CE1-CD1 3.46Å; F151-I181 VanDerWaalsContact CE1-CD1 3.46Å; F151-I181 HydrophobicContact CE1-CG1 3.86Å; F151-I181 HydrophobicContact CZ-CD1 3.64Å; F151-I181 HydrophobicContact CZ-CG1 3.6Å; T179-I181 PolarHBondContact O-N 2.98Å; I181-K183 PolarHBondContact O-N 3.13Å |
| 182 | F | 96.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 20.5 Ų | 20.5 | 4% | 0.035 | 10% | 0.1 | C | C | . | . | trans | -66.5 | 125.4 | -179.6 | -51.8 | -61.7 | 0 | 0 | 0 | 110 | L61 I66 F151 F168 T179 P185 K217 | L61-F182 HydrophobicContact CD2-CE1 4.44Å; I66-F182 HydrophobicContact CD1-CD1 4Å; I66-F182 HydrophobicContact CD1-CE1 3.65Å; I66-F182 HydrophobicContact CD1-CZ 3.97Å; I66-F182 HydrophobicContact CG1-CD1 3.79Å; I66-F182 HydrophobicContact CG1-CE1 3.99Å; I66-F182 HydrophobicContact CG1-CG 4.14Å; I66-F182 HydrophobicContact CG1-CZ 4.49Å; I66-F182 HydrophobicContact CG2-CD1 4.41Å; I66-F182 HydrophobicContact CG2-CD2 3.77Å; I66-F182 HydrophobicContact CG2-CE2 3.95Å; I66-F182 HydrophobicContact CG2-CG 4.01Å; I66-F182 HydrophobicContact CG2-CZ 4.35Å; F151-F182 HydrophobicContact CE2-CE2 4.15Å; F151-F182 AromaticContact CE2-CZ 3.7Å; F151-F182 HydrophobicContact CE2-CZ 3.7Å; F151-F182 HydrophobicContact CZ-CE1 4.22Å; F151-F182 HydrophobicContact CZ-CE2 4.43Å; F151-F182 AromaticContact CZ-CZ 3.79Å; F151-F182 HydrophobicContact CZ-CZ 3.79Å; F168-F182 HydrophobicContact CB-CE2 4.07Å; F168-F182 HydrophobicContact CD1-CE2 4.05Å; F168-F182 AromaticContact CD1-CZ 3.74Å; F168-F182 HydrophobicContact CD1-CZ 3.74Å; F168-F182 AromaticContact CD2-CE2 3.92Å; F168-F182 HydrophobicContact CD2-CE2 3.92Å; F168-F182 AromaticContact CD2-CZ 3.71Å; F168-F182 HydrophobicContact CD2-CZ 3.71Å; F168-F182 AromaticContact CE1-CZ 3.76Å; F168-F182 HydrophobicContact CE1-CZ 3.76Å; F168-F182 HydrophobicContact CE2-CE1 4.37Å; F168-F182 HydrophobicContact CE2-CE2 4.4Å; F168-F182 AromaticContact CE2-CZ 3.72Å; F168-F182 HydrophobicContact CE2-CZ 3.72Å; F168-F182 AromaticContact CG-CE2 3.73Å; F168-F182 HydrophobicContact CG-CE2 3.73Å; F168-F182 AromaticContact CG-CZ 3.73Å; F168-F182 HydrophobicContact CG-CZ 3.73Å; F168-F182 HydrophobicContact CZ-CE1 4.38Å; F168-F182 AromaticContact CZ-CZ 3.73Å; F168-F182 HydrophobicContact CZ-CZ 3.73Å; T179-F182 VanDerWaalsContact O-CD2 3.31Å; T179-F182 WeakPolarHBondContact O-CD2 3.37Å; T179-F182 VanDerWaalsContact O-CE2 3.22Å; T179-F182 WeakPolarHBondContact O-CE2 3.36Å; F182-P185 HydrophobicContact CB-CB 4.43Å; F182-P185 HydrophobicContact CB-CG 4.47Å; F182-K217 PolarHBondContact O-NZ 3.12Å | ||
| 183 | K | 93.9 | Very high | 96.4 | Very high | 134 Ų | 134 | 20.6 Ų | 20.6 | 58% | 0.583 | 10% | 0.101 | S | C | * | . | S | Bend | trans | -78.5 | -36.1 | -178 | -68.3 | 176.7 | 179.3 | 170.6 | 0 | 111.7 | D58 I181 K217 | D58-K183 IonicContact OD2-NZ 3.51Å; D58-K183 PolarHBondContact OD2-NZ 2.86Å; I181-K183 PolarHBondContact O-N 3.13Å; K183-K217 VanDerWaalsContact O-CB 3.32Å; K183-K217 WeakPolarHBondContact O-CB 3.5Å |
| 184 | D | 93.1 | Very high | 96.2 | Very high | 76 Ų | 76 | 22.1 Ų | 22.1 | 41% | 0.406 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -144.7 | 56.5 | -169.2 | 56.7 | -29 | 0 | 0 | 0 | 111.9 | R62 C186 | R62-D184 WeakPolarHBondContact CD-OD2 3.2Å; R62-D184 VanDerWaalsContact CG-OD1 3.3Å; R62-D184 WeakPolarHBondContact CG-OD1 3.44Å; D184-C186 PolarHBondContact O-N 2.87Å |
| 185 | P | 97 | Very high | 95.7 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.013 | 14% | 0.139 | C | C | . | . | trans | -56.3 | 143.2 | 173 | 26.2 | -34.2 | 0 | 0 | 0 | 110.9 | I66 H68 F182 V187 T188 K217 S220 | I66-P185 HydrophobicContact CB-CB 3.95Å; I66-P185 HydrophobicContact CG2-CB 3.91Å; H68-P185 HydrophobicContact CB-CB 4.46Å; F182-P185 HydrophobicContact CB-CB 4.43Å; F182-P185 HydrophobicContact CB-CG 4.47Å; P185-V187 VanDerWaalsContact C-N 3.32Å; P185-V187 PolarHBondContact O-N 2.68Å; P185-T188 HydrophobicContact CB-CG2 4.15Å; P185-T188 HydrophobicContact CG-CG2 3.45Å; P185-T188 VanDerWaalsContact CG-CG2 3.45Å; P185-K217 HydrophobicContact CG-CB 4.4Å; P185-K217 HydrophobicContact CG-CG 4.09Å; P185-S220 VanDerWaalsContact CD-OG 3.27Å; P185-S220 WeakPolarHBondContact CD-OG 3.2Å; P185-S220 WeakPolarHBondContact CG-OG 3.38Å; P185-S220 WeakPolarHBondContact O-CA 3.32Å; P185-S220 WeakPolarHBondContact O-CB 3.41Å; P185-S220 PolarHBondContact O-OG 2.94Å | ||
| 186 | C | 96.6 | Very high | 95.1 | Very high | 15 Ų | 15 | 26.2 Ų | 26.2 | 10% | 0.101 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -60.5 | -46.3 | 178.6 | -67 | 0 | 0 | 0 | 0 | 110.9 | I66 D184 I221 K297 | I66-C186 PolarHBondContact O-N 3.12Å; D184-C186 PolarHBondContact O-N 2.87Å; C186-I221 PolarHBondContact O-N 3.38Å; C186-I221 VanDerWaalsContact O-N 3.15Å; C186-K297 HydrophobicContact CB-CB 4.44Å; C186-K297 HydrophobicContact CB-CG 4.15Å |
| 187 | V | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 136.8 | 178.5 | -169.6 | 0 | 0 | 0 | 0 | 111.1 | I66 I67 H68 P185 V189 I221 V223 T290 W294 | I66-V187 PolarHBondContact O-N 3.07Å; I67-V187 WeakPolarHBondContact CA-O 3.35Å; H68-V187 PolarHBondContact N-O 2.84Å; P185-V187 VanDerWaalsContact C-N 3.32Å; P185-V187 PolarHBondContact O-N 2.68Å; V187-V189 HydrophobicContact CG1-CG2 4.04Å; V187-I221 CarbonylContact C-O 3.53Å; V187-I221 VanDerWaalsContact CA-O 3.32Å; V187-I221 WeakPolarHBondContact CA-O 3.35Å; V187-I221 HydrophobicContact CG2-CB 4.42Å; V187-V223 HydrophobicContact CG1-CG2 3.77Å; V187-T290 HydrophobicContact CB-CG2 4.34Å; V187-T290 HydrophobicContact CG1-CG2 3.97Å; V187-W294 HydrophobicContact CG2-CB 3.76Å; V187-W294 HydrophobicContact CG2-CG 4.49Å |
| 188 | T | 98.7 | Very high | 94 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 137.3 | 172.6 | 57.4 | 0 | 0 | 0 | 0 | 109.1 | H68 P185 I215 F216 I221 A222 V223 | H68-T188 HydrophobicContact CB-CG2 4.37Å; H68-T188 CarbonylContact O-C 3.45Å; H68-T188 WeakPolarHBondContact O-CA 3.37Å; P185-T188 HydrophobicContact CB-CG2 4.15Å; P185-T188 HydrophobicContact CG-CG2 3.45Å; P185-T188 VanDerWaalsContact CG-CG2 3.45Å; T188-I215 HydrophobicContact CG2-CG1 4.37Å; T188-I215 WeakPolarHBondContact CG2-O 3.41Å; T188-F216 WeakPolarHBondContact OG1-CD1 3.42Å; T188-I221 PolarHBondContact N-O 3.35Å; T188-I221 PolarHBondContact OG1-O 3.11Å; T188-A222 CarbonylContact O-C 3.55Å; T188-A222 WeakPolarHBondContact O-CA 3.04Å; T188-A222 WeakPolarHBondContact OG1-CA 3.31Å; T188-V223 PolarHBondContact O-N 3.3Å |
| 189 | V | 98.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 131.1 | -167.5 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | I67 H68 V69 T70 V78 V187 V223 L286 T290 | I67-V189 HydrophobicContact CG2-CG2 4.25Å; H68-V189 PolarHBondContact O-N 3.22Å; V69-V189 HydrophobicContact CB-CB 4.36Å; V69-V189 HydrophobicContact CG1-CB 4.17Å; V69-V189 HydrophobicContact CG1-CG1 4.28Å; V69-V189 HydrophobicContact CG2-CB 4.07Å; V69-V189 HydrophobicContact CG2-CG2 4.25Å; T70-V189 PolarHBondContact N-O 2.89Å; V78-V189 HydrophobicContact CG1-CG1 4.34Å; V187-V189 HydrophobicContact CG1-CG2 4.04Å; V189-V223 CarbonylContact C-O 3.44Å; V189-V223 VanDerWaalsContact CA-O 3.25Å; V189-V223 WeakPolarHBondContact CA-O 3.33Å; V189-L286 HydrophobicContact CG1-CD1 3.87Å; V189-L286 HydrophobicContact CG1-CD2 3.76Å; V189-L286 HydrophobicContact CG1-CG 3.83Å; V189-T290 HydrophobicContact CG2-CG2 3.59Å; V189-T290 WeakPolarHBondContact CG2-OG1 3.42Å |
| 190 | V | 98.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 111.3 | 170.7 | -167.2 | 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 4.17Å; T70-V190 HydrophobicContact CG2-CG2 3.89Å; T70-V190 WeakPolarHBondContact O-CA 3.16Å; V190-L193 HydrophobicContact CG1-CD2 3.72Å; V190-K212 HydrophobicContact CG1-CB 4.23Å; V190-K212 HydrophobicContact CG1-CD 4.36Å; V190-F216 HydrophobicContact CG2-CE1 3.72Å; V190-F216 HydrophobicContact CG2-CZ 3.96Å; V190-V223 PolarHBondContact N-O 3.24Å; V190-V224 HydrophobicContact CB-CB 4.48Å; V190-V224 HydrophobicContact CB-CG1 3.95Å; V190-V224 HydrophobicContact CG2-CG1 4.12Å; V190-V224 CarbonylContact O-C 3.55Å; V190-V224 WeakPolarHBondContact O-CA 3.39Å; V190-S225 PolarHBondContact O-N 3.05Å; V190-F236 HydrophobicContact CB-CE1 4.38Å; V190-F236 HydrophobicContact CB-CZ 4.15Å; V190-F236 HydrophobicContact CG1-CE1 4.01Å; V190-F236 HydrophobicContact CG1-CZ 3.61Å; V190-F236 HydrophobicContact CG2-CE1 4.12Å; V190-F236 HydrophobicContact CG2-CZ 4.4Å |
| 191 | T | 98 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -72.8 | -175.4 | 172.6 | 77.5 | 0 | 0 | 0 | 0 | 111 | V69 T70 G71 K73 K75 V78 L193 Q228 L286 | V69-T191 HydrophobicContact CG1-CG2 4.01Å; T70-T191 WeakPolarHBondContact O-CG2 3.25Å; T70-T191 PolarHBondContact O-N 3.39Å; G71-T191 VanDerWaalsContact CA-OG1 3.32Å; G71-T191 WeakPolarHBondContact CA-OG1 3.48Å; K73-T191 VanDerWaalsContact O-CB 3.23Å; K73-T191 WeakPolarHBondContact O-CB 3.2Å; K73-T191 PolarHBondContact O-OG1 3.28Å; K75-T191 HydrophobicContact CG-CG2 4.47Å; V78-T191 HydrophobicContact CB-CG2 4.05Å; V78-T191 HydrophobicContact CG1-CG2 4.35Å; V78-T191 HydrophobicContact CG2-CG2 3.73Å; T191-L193 PolarHBondContact O-N 2.98Å; T191-Q228 PolarHBondContact O-NE2 2.87Å; T191-L286 HydrophobicContact CG2-CD2 3.93Å | ||
| 192 | S | 95.4 | Very high | 92 | Very high | 32 Ų | 32 | 36.8 Ų | 36.8 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -56.8 | 138.5 | -177.9 | 54.8 | 0 | 0 | 0 | 0 | 113 | S72 K73 | S72-S192 WeakPolarHBondContact CA-O 3.44Å; S72-S192 WeakPolarHBondContact CB-O 3.48Å; S72-S192 PolarHBondContact N-O 3.03Å; K73-S192 PolarHBondContact N-O 3.05Å; K73-S192 PolarHBondContact O-OG 3.27Å |
| 193 | L | 95 | Very high | 91.8 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | trans | -90.6 | 149.8 | 176.3 | -62.4 | -157.6 | 0 | 0 | 0 | 112 | V190 T191 I205 I208 A209 K212 A232 F236 | V190-L193 HydrophobicContact CG1-CD2 3.72Å; T191-L193 PolarHBondContact O-N 2.98Å; L193-I205 HydrophobicContact CD1-CG2 4.35Å; L193-I208 HydrophobicContact CD1-CG2 4.36Å; L193-A209 HydrophobicContact CD1-CB 3.74Å; L193-K212 HydrophobicContact CD2-CD 3.16Å; L193-K212 HydrophobicContact CG-CD 4.47Å; L193-A232 HydrophobicContact CD1-CB 3.89Å; L193-F236 HydrophobicContact CD1-CE2 4.29Å; L193-F236 HydrophobicContact CD1-CZ 3.68Å; L193-F236 HydrophobicContact CD2-CZ 4.37Å; L193-F236 HydrophobicContact CG-CZ 4.08Å | ||
| 194 | A | 90.4 | Very high | 91.9 | Very high | 33 Ų | 33 | 39.3 Ų | 39.3 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | trans | -153.3 | 155.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | S72 E196 I208 | S72-A194 VanDerWaalsContact CB-N 3.29Å; S72-A194 PolarHBondContact OG-N 2.61Å; S72-A194 PolarHBondContact OG-O 2.88Å; S72-A194 VanDerWaalsContact OG-O 3.04Å; A194-E196 PolarHBondContact O-N 2.96Å; A194-I208 WeakPolarHBondContact O-CD1 3.5Å | ||
| 195 | L | 87.9 | Confident | 92.1 | Very high | 106 Ų | 106 | 37.2 Ų | 37.2 | 56% | 0.555 | 20% | 0.203 | S | C | * | . | trans | -60.8 | 109.7 | 169.8 | -68.1 | 176.3 | 0 | 0 | 0 | 109.3 | I205 I208 | L195-I205 HydrophobicContact CD2-CD1 3.9Å; L195-I205 HydrophobicContact CD2-CG1 4.25Å; L195-I205 HydrophobicContact CG-CD1 3.97Å; L195-I208 HydrophobicContact CD2-CD1 3.87Å | ||
| 196 | E | 83.8 | Confident | 92.1 | Very high | 31 Ų | 31 | 38.6 Ų | 38.6 | 15% | 0.145 | 22% | 0.215 | C | C | . | . | trans | -146.2 | 150 | 179.4 | 66.7 | 170.4 | -177.5 | 0 | 0 | 110.1 | S72 A194 T198 L201 K212 | S72-E196 WeakPolarHBondContact CA-OE1 3.26Å; S72-E196 VanDerWaalsContact CB-CD 3.43Å; S72-E196 WeakPolarHBondContact CB-OE1 3.5Å; S72-E196 PolarHBondContact OG-OE1 3.5Å; A194-E196 PolarHBondContact O-N 2.96Å; E196-T198 PolarHBondContact O-N 3.32Å; E196-L201 HydrophobicContact CG-CD1 4.29Å; E196-K212 IonicContact OE1-NZ 2.74Å; E196-K212 PolarHBondContact OE1-NZ 3.24Å | ||
| 197 | H | 82.6 | Confident | 92.1 | Very high | 90 Ų | 90 | 41.2 Ų | 41.2 | 42% | 0.417 | 23% | 0.225 | S | C | . | . | trans | 49.4 | 44.8 | 175.5 | -57.9 | -71.9 | 0 | 0 | 0 | 113.3 | I172 N199 I200 L201 | I172-H197 HydrophobicContact CD1-CB 3.75Å; I172-H197 HydrophobicContact CG1-CB 4.42Å; H197-N199 PolarHBondContact O-N 2.79Å; H197-N199 VanDerWaalsContact O-N 3.14Å; H197-I200 WeakPolarHBondContact O-CA 3.47Å; H197-I200 PolarHBondContact O-N 2.92Å; H197-L201 HydrophobicContact CB-CD1 4.04Å; H197-L201 HydrophobicContact CB-CG 4.06Å; H197-L201 PolarHBondContact O-N 3.18Å | ||
| 198 | T | 84.5 | Confident | 92.1 | Very high | 54 Ų | 54 | 41.2 Ų | 41.2 | 33% | 0.331 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.7 | -26.7 | -169.2 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | E196 I200 G202 | E196-T198 PolarHBondContact O-N 3.32Å; T198-I200 PolarHBondContact O-N 3.5Å; T198-G202 WeakPolarHBondContact CA-O 3.35Å; T198-G202 WeakPolarHBondContact CB-O 3.43Å; T198-G202 WeakPolarHBondContact CG2-O 3.47Å; T198-G202 CarbonylContact O-C 3.6Å; T198-G202 PolarHBondContact O-N 2.93Å; T198-G202 VanDerWaalsContact O-N 3.17Å |
| 199 | N | 82.3 | Confident | 92 | Very high | 111 Ų | 111 | 41.2 Ų | 41.2 | 59% | 0.594 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66.8 | -13.9 | 171.6 | 64.3 | -42.8 | 0 | 0 | 0 | 114.6 | H197 | H197-N199 PolarHBondContact O-N 2.79Å; H197-N199 VanDerWaalsContact O-N 3.14Å |
| 200 | I | 83 | Confident | 92 | Very high | 34 Ų | 34 | 43.7 Ų | 43.7 | 17% | 0.174 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -117.8 | -43.3 | -178.5 | -59.4 | 172.1 | 0 | 0 | 0 | 110.8 | P36 K40 I172 H197 T198 | P36-I200 HydrophobicContact CB-CG1 4.12Å; K40-I200 HydrophobicContact CD-CG2 3.85Å; I172-I200 HydrophobicContact CD1-CB 4.33Å; I172-I200 HydrophobicContact CD1-CD1 3.64Å; I172-I200 HydrophobicContact CD1-CG2 4.18Å; H197-I200 WeakPolarHBondContact O-CA 3.47Å; H197-I200 PolarHBondContact O-N 2.92Å; T198-I200 PolarHBondContact O-N 3.5Å |
| 201 | L | 88.5 | Confident | 91.9 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -98.3 | -14.5 | -170 | -57 | -175.9 | 0 | 0 | 0 | 114.1 | I172 E196 H197 E207 I208 A211 | I172-L201 HydrophobicContact CG1-CD1 4.28Å; I172-L201 HydrophobicContact CG1-CD2 4.24Å; I172-L201 HydrophobicContact CG1-CG 4.44Å; E196-L201 HydrophobicContact CG-CD1 4.29Å; H197-L201 HydrophobicContact CB-CD1 4.04Å; H197-L201 HydrophobicContact CB-CG 4.06Å; H197-L201 PolarHBondContact O-N 3.18Å; L201-E207 CarbonylContact O-C 3.6Å; L201-E207 WeakPolarHBondContact O-CB 3.4Å; L201-I208 HydrophobicContact CB-CG1 4.02Å; L201-A211 HydrophobicContact CD2-CB 3.95Å |
| 202 | G | 89.2 | Confident | 91.9 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 7% | 0.072 | 24% | 0.238 | C | C | . | . | trans | 108.8 | 169.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113 | T198 E207 | T198-G202 WeakPolarHBondContact CA-O 3.35Å; T198-G202 WeakPolarHBondContact CB-O 3.43Å; T198-G202 WeakPolarHBondContact CG2-O 3.47Å; T198-G202 CarbonylContact O-C 3.6Å; T198-G202 PolarHBondContact O-N 2.93Å; T198-G202 VanDerWaalsContact O-N 3.17Å; G202-E207 WeakPolarHBondContact CA-OE2 3.32Å | ||
| 203 | H | 93.5 | Very high | 92.1 | Very high | 133 Ų | 133 | 42.7 Ų | 42.7 | 62% | 0.616 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -98.3 | -5.9 | -172 | -63.8 | -79.1 | 0 | 0 | 0 | 113.5 | E207 | H203-E207 PolarHBondContact N-OE2 2.86Š|
| 204 | T | 95.6 | Very high | 92.2 | Very high | 63 Ų | 63 | 41.9 Ų | 41.9 | 39% | 0.387 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -117.7 | 158.9 | -178.4 | 63.6 | 0 | 0 | 0 | 0 | 112 | A206 E207 I208 | T204-A206 VanDerWaalsContact C-N 3.26Å; T204-A206 PolarHBondContact O-N 3.48Å; T204-E207 PolarHBondContact N-OE2 3.46Å; T204-E207 PolarHBondContact O-N 3.07Å; T204-E207 WeakPolarHBondContact OG1-CG 3.43Å; T204-E207 PolarHBondContact OG1-N 3.39Å; T204-E207 VanDerWaalsContact OG1-N 3.17Å; T204-E207 PolarHBondContact OG1-OE2 2.91Å; T204-I208 WeakPolarHBondContact O-CG1 3.38Å; T204-I208 PolarHBondContact O-N 2.94Å |
| 205 | I | 96.3 | Very high | 92.6 | Very high | 31 Ų | 31 | 40.3 Ų | 40.3 | 16% | 0.159 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.7 | -35.6 | 173.7 | -65.1 | -65.4 | 0 | 0 | 0 | 110.9 | L193 L195 E207 I208 A209 S229 A232 | L193-I205 HydrophobicContact CD1-CG2 4.35Å; L195-I205 HydrophobicContact CD2-CD1 3.9Å; L195-I205 HydrophobicContact CD2-CG1 4.25Å; L195-I205 HydrophobicContact CG-CD1 3.97Å; I205-E207 PolarHBondContact O-N 3.29Å; I205-I208 PolarHBondContact O-N 3.26Å; I205-A209 VanDerWaalsContact O-CB 3.32Å; I205-A209 WeakPolarHBondContact O-CB 3.25Å; I205-A209 PolarHBondContact O-N 3.48Å; I205-S229 WeakPolarHBondContact CG2-OG 3.46Å; I205-A232 HydrophobicContact CG2-CB 3.73Å |
| 206 | A | 97.2 | Very high | 93.1 | Very high | 31 Ų | 31 | 35.5 Ų | 35.5 | 26% | 0.256 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.6 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T204 A209 W210 | T204-A206 VanDerWaalsContact C-N 3.26Å; T204-A206 PolarHBondContact O-N 3.48Å; A206-A209 PolarHBondContact O-N 3.33Å; A206-W210 WeakPolarHBondContact O-CB 3.38Å; A206-W210 PolarHBondContact O-N 2.87Å |
| 207 | E | 97.1 | Very high | 93.7 | Very high | 70 Ų | 70 | 35.9 Ų | 35.9 | 33% | 0.327 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.8 | -39.1 | 176.5 | -69.7 | 166.8 | 117.7 | 0 | 0 | 112.1 | L201 G202 H203 T204 I205 W210 A211 | L201-E207 CarbonylContact O-C 3.6Å; L201-E207 WeakPolarHBondContact O-CB 3.4Å; G202-E207 WeakPolarHBondContact CA-OE2 3.32Å; H203-E207 PolarHBondContact N-OE2 2.86Å; T204-E207 PolarHBondContact N-OE2 3.46Å; T204-E207 PolarHBondContact O-N 3.07Å; T204-E207 WeakPolarHBondContact OG1-CG 3.43Å; T204-E207 PolarHBondContact OG1-N 3.39Å; T204-E207 VanDerWaalsContact OG1-N 3.17Å; T204-E207 PolarHBondContact OG1-OE2 2.91Å; I205-E207 PolarHBondContact O-N 3.29Å; E207-W210 WeakPolarHBondContact O-CB 3.28Å; E207-W210 PolarHBondContact O-N 3Å; E207-A211 WeakPolarHBondContact O-CB 3.32Å; E207-A211 PolarHBondContact O-N 3.47Å |
| 208 | I | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 175.7 | -66.8 | 177.9 | 0 | 0 | 0 | 110.9 | L193 A194 L195 L201 T204 I205 A211 K212 | L193-I208 HydrophobicContact CD1-CG2 4.36Å; A194-I208 WeakPolarHBondContact O-CD1 3.5Å; L195-I208 HydrophobicContact CD2-CD1 3.87Å; L201-I208 HydrophobicContact CB-CG1 4.02Å; T204-I208 WeakPolarHBondContact O-CG1 3.38Å; T204-I208 PolarHBondContact O-N 2.94Å; I205-I208 PolarHBondContact O-N 3.26Å; I208-A211 PolarHBondContact O-N 3.28Å; I208-K212 HydrophobicContact CG2-CD 3.9Å; I208-K212 WeakPolarHBondContact O-CB 3.4Å; I208-K212 VanDerWaalsContact O-CG 3.31Å; I208-K212 WeakPolarHBondContact O-CG 3.18Å; I208-K212 PolarHBondContact O-N 3.24Å |
| 209 | A | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L193 I205 A206 A211 K212 A213 A232 K235 F236 | L193-A209 HydrophobicContact CD1-CB 3.74Å; I205-A209 VanDerWaalsContact O-CB 3.32Å; I205-A209 WeakPolarHBondContact O-CB 3.25Å; I205-A209 PolarHBondContact O-N 3.48Å; A206-A209 PolarHBondContact O-N 3.33Å; A209-A211 VanDerWaalsContact C-N 3.32Å; A209-A211 PolarHBondContact O-N 3.37Å; A209-K212 PolarHBondContact O-N 3.37Å; A209-K212 VanDerWaalsContact O-N 3.14Å; A209-A213 WeakPolarHBondContact O-CB 3.32Å; A209-A213 PolarHBondContact O-N 3.04Å; A209-A232 HydrophobicContact CB-CB 4.2Å; A209-K235 HydrophobicContact CB-CB 3.93Å; A209-K235 HydrophobicContact CB-CG 4.02Å; A209-F236 HydrophobicContact CB-CD1 4.36Å; A209-F236 HydrophobicContact CB-CE1 3.9Å; A209-F236 HydrophobicContact CB-CZ 4.1Å |
| 210 | W | 98.1 | Very high | 94.8 | Very high | 53 Ų | 53 | 30.1 Ų | 30.1 | 20% | 0.201 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.3 | -43.2 | 175.6 | 175.9 | 87.1 | 0 | 0 | 0 | 112.7 | R37 R175 Y176 A206 E207 K212 G214 K235 E239 | R37-W210 VanDerWaalsContact NH2-CH2 3.28Å; R175-W210 VanDerWaalsContact CD-CZ2 3.47Å; R175-W210 VanDerWaalsContact NE-CE2 3.34Å; R175-W210 PolarHBondContact NE-O 2.87Å; R175-W210 VanDerWaalsContact NH2-NE1 3.17Å; R175-W210 PolarHBondContact NH2-O 3.17Å; R175-W210 VanDerWaalsContact NH2-O 3.12Å; Y176-W210 AromaticContact CE2-CH2 3.86Å; Y176-W210 HydrophobicContact CE2-CH2 3.86Å; Y176-W210 HydrophobicContact CE2-CZ3 4.06Å; A206-W210 WeakPolarHBondContact O-CB 3.38Å; A206-W210 PolarHBondContact O-N 2.87Å; E207-W210 WeakPolarHBondContact O-CB 3.28Å; E207-W210 PolarHBondContact O-N 3Å; W210-K212 VanDerWaalsContact C-N 3.33Å; W210-G214 PolarHBondContact O-N 3.33Å; W210-K235 HydrophobicContact CB-CD 3.86Å; W210-K235 HydrophobicContact CB-CG 3.84Å; W210-K235 HydrophobicContact CG-CD 4.39Å; W210-E239 PolarHBondContact NE1-OE1 2.93Å |
| 211 | A | 97.4 | Very high | 95.4 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 7% | 0.066 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.6 | -35.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G173 G174 R175 L201 E207 I208 A209 | G173-A211 CarbonylContact C-O 3.54Å; G174-A211 CarbonylContact C-O 3.5Å; G174-A211 WeakPolarHBondContact CA-O 3.43Å; G174-A211 PolarHBondContact N-O 3.19Å; R175-A211 PolarHBondContact N-O 2.92Å; L201-A211 HydrophobicContact CD2-CB 3.95Å; E207-A211 WeakPolarHBondContact O-CB 3.32Å; E207-A211 PolarHBondContact O-N 3.47Å; I208-A211 PolarHBondContact O-N 3.28Å; A209-A211 VanDerWaalsContact C-N 3.32Å; A209-A211 PolarHBondContact O-N 3.37Å |
| 212 | K | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -80.7 | -41.6 | -180 | -73.3 | 173.8 | -171.7 | -56.4 | 0 | 112.3 | T70 G71 S72 G173 V190 L193 E196 I208 A209 W210 G214 I215 | T70-K212 HydrophobicContact CG2-CB 3.71Å; T70-K212 HydrophobicContact CG2-CG 4.1Å; G71-K212 PolarHBondContact O-NZ 3.35Å; S72-K212 VanDerWaalsContact OG-CE 3.23Å; S72-K212 WeakPolarHBondContact OG-CE 3.3Å; G173-K212 VanDerWaalsContact O-CG 3.28Å; G173-K212 WeakPolarHBondContact O-CG 3.3Å; V190-K212 HydrophobicContact CG1-CB 4.23Å; V190-K212 HydrophobicContact CG1-CD 4.36Å; L193-K212 HydrophobicContact CD2-CD 3.16Å; L193-K212 HydrophobicContact CG-CD 4.47Å; E196-K212 IonicContact OE1-NZ 2.74Å; E196-K212 PolarHBondContact OE1-NZ 3.24Å; I208-K212 HydrophobicContact CG2-CD 3.9Å; I208-K212 WeakPolarHBondContact O-CB 3.4Å; I208-K212 VanDerWaalsContact O-CG 3.31Å; I208-K212 WeakPolarHBondContact O-CG 3.18Å; I208-K212 PolarHBondContact O-N 3.24Å; A209-K212 PolarHBondContact O-N 3.37Å; A209-K212 VanDerWaalsContact O-N 3.14Å; W210-K212 VanDerWaalsContact C-N 3.33Å; K212-G214 PolarHBondContact O-N 2.97Å; K212-G214 VanDerWaalsContact O-N 3.1Å; K212-I215 WeakPolarHBondContact O-CG1 3.2Å; K212-I215 PolarHBondContact O-N 3.43Å |
| 213 | A | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.5 | -17.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A209 I215 F216 F236 E239 | A209-A213 WeakPolarHBondContact O-CB 3.32Å; A209-A213 PolarHBondContact O-N 3.04Å; A213-I215 PolarHBondContact O-N 2.6Å; A213-F216 HydrophobicContact CB-CD2 3.98Å; A213-F216 HydrophobicContact CB-CE2 3.85Å; A213-F216 HydrophobicContact CB-CZ 4.32Å; A213-F216 WeakPolarHBondContact O-CB 3.43Å; A213-F216 WeakPolarHBondContact O-CG 3.2Å; A213-F216 PolarHBondContact O-N 3.4Å; A213-F236 HydrophobicContact CB-CD1 3.9Å; A213-F236 HydrophobicContact CB-CE1 4.26Å; A213-E239 HydrophobicContact CB-CB 3.68Å; A213-E239 HydrophobicContact CB-CG 3.73Å |
| 214 | G | 97.9 | Very high | 96.5 | Very high | 11 Ų | 11 | 21.5 Ų | 21.5 | 11% | 0.113 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -3.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N180 W210 K212 | N180-G214 PolarHBondContact ND2-O 3.26Å; W210-G214 PolarHBondContact O-N 3.33Å; K212-G214 PolarHBondContact O-N 2.97Å; K212-G214 VanDerWaalsContact O-N 3.1Å |
| 215 | I | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -12.3 | 165.9 | 70.6 | 169.1 | 0 | 0 | 0 | 113.1 | H68 T70 V170 T188 K212 A213 K217 | H68-I215 HydrophobicContact CB-CD1 4.42Å; H68-I215 WeakPolarHBondContact O-CD1 3.41Å; T70-I215 HydrophobicContact CG2-CD1 3.64Å; T70-I215 HydrophobicContact CG2-CG1 4.17Å; V170-I215 HydrophobicContact CG2-CG2 4.08Å; T188-I215 HydrophobicContact CG2-CG1 4.37Å; T188-I215 WeakPolarHBondContact CG2-O 3.41Å; K212-I215 WeakPolarHBondContact O-CG1 3.2Å; K212-I215 PolarHBondContact O-N 3.43Å; A213-I215 PolarHBondContact O-N 2.6Å; I215-K217 WeakPolarHBondContact O-CG 3.31Å |
| 216 | F | 98.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | trans | -62.2 | 137.1 | 173.3 | -61.9 | -11.3 | 0 | 0 | 0 | 109.1 | T188 V190 A213 A222 V224 F236 E239 A240 V243 L247 | T188-F216 WeakPolarHBondContact OG1-CD1 3.42Å; V190-F216 HydrophobicContact CG2-CE1 3.72Å; V190-F216 HydrophobicContact CG2-CZ 3.96Å; A213-F216 HydrophobicContact CB-CD2 3.98Å; A213-F216 HydrophobicContact CB-CE2 3.85Å; A213-F216 HydrophobicContact CB-CZ 4.32Å; A213-F216 WeakPolarHBondContact O-CB 3.43Å; A213-F216 WeakPolarHBondContact O-CG 3.2Å; A213-F216 PolarHBondContact O-N 3.4Å; F216-A222 HydrophobicContact CD1-CB 3.66Å; F216-A222 HydrophobicContact CD2-CB 4.31Å; F216-A222 HydrophobicContact CE1-CB 3.6Å; F216-A222 HydrophobicContact CE2-CB 4.26Å; F216-A222 HydrophobicContact CG-CB 4.04Å; F216-A222 HydrophobicContact CZ-CB 3.91Å; F216-V224 HydrophobicContact CZ-CG1 4.12Å; F216-F236 HydrophobicContact CE2-CB 4.27Å; F216-F236 HydrophobicContact CE2-CD1 4.13Å; F216-F236 HydrophobicContact CZ-CD1 4.02Å; F216-E239 HydrophobicContact CD2-CB 4.22Å; F216-A240 HydrophobicContact CD2-CB 4.27Å; F216-A240 HydrophobicContact CE2-CB 4.46Å; F216-V243 HydrophobicContact CB-CG2 3.8Å; F216-L247 HydrophobicContact CE2-CD1 4.32Å; F216-L247 HydrophobicContact CZ-CD1 4.12Å | ||
| 217 | K | 96.6 | Very high | 96.5 | Very high | 39 Ų | 39 | 22.6 Ų | 22.6 | 17% | 0.17 | 14% | 0.142 | C | C | . | . | trans | -137.3 | 151.4 | -177.8 | -58.3 | -62.3 | 163.4 | 84.4 | 0 | 110.7 | N180 F182 K183 P185 I215 G219 S220 C245 | N180-K217 VanDerWaalsContact OD1-CE 3.28Å; N180-K217 WeakPolarHBondContact OD1-CE 3.29Å; N180-K217 PolarHBondContact OD1-NZ 3.17Å; F182-K217 PolarHBondContact O-NZ 3.12Å; K183-K217 VanDerWaalsContact O-CB 3.32Å; K183-K217 WeakPolarHBondContact O-CB 3.5Å; P185-K217 HydrophobicContact CG-CB 4.4Å; P185-K217 HydrophobicContact CG-CG 4.09Å; I215-K217 WeakPolarHBondContact O-CG 3.31Å; K217-G219 PolarHBondContact O-N 3.45Å; K217-S220 VanDerWaalsContact O-CB 3.28Å; K217-S220 WeakPolarHBondContact O-CB 3.19Å; K217-S220 PolarHBondContact O-N 3.29Å; K217-S220 VanDerWaalsContact O-N 3.15Å; K217-C245 VanDerWaalsContact O-CB 3.3Å; K217-C245 WeakPolarHBondContact O-CB 3.23Å | ||
| 218 | T | 93.8 | Very high | 96.4 | Very high | 92 Ų | 92 | 20.4 Ų | 20.4 | 56% | 0.564 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 133 | 174 | -51.7 | 0 | 0 | 0 | 0 | 110.6 | S220 V243 | T218-S220 PolarHBondContact O-N 2.94Å; T218-V243 VanDerWaalsContact CA-O 3.22Å; T218-V243 WeakPolarHBondContact CA-O 3.42Å; T218-V243 WeakPolarHBondContact CB-O 3.5Å; T218-V243 PolarHBondContact OG1-O 3.45Å |
| 219 | G | 85.5 | Confident | 96.4 | Very high | 42 Ų | 42 | 22.8 Ų | 22.8 | 43% | 0.433 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -10.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K217 K297 | K217-G219 PolarHBondContact O-N 3.45Å; G219-K297 WeakPolarHBondContact O-CE 3.32Å; G219-K297 PolarHBondContact O-NZ 3.19Å |
| 220 | S | 94 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -85.1 | 155 | 174.6 | -57.8 | 0 | 0 | 0 | 0 | 112 | P185 K217 T218 C245 P246 | P185-S220 VanDerWaalsContact CD-OG 3.27Å; P185-S220 WeakPolarHBondContact CD-OG 3.2Å; P185-S220 WeakPolarHBondContact CG-OG 3.38Å; P185-S220 WeakPolarHBondContact O-CA 3.32Å; P185-S220 WeakPolarHBondContact O-CB 3.41Å; P185-S220 PolarHBondContact O-OG 2.94Å; K217-S220 VanDerWaalsContact O-CB 3.28Å; K217-S220 WeakPolarHBondContact O-CB 3.19Å; K217-S220 PolarHBondContact O-N 3.29Å; K217-S220 VanDerWaalsContact O-N 3.15Å; T218-S220 PolarHBondContact O-N 2.94Å; S220-C245 WeakPolarHBondContact O-CB 3.45Å; S220-P246 WeakPolarHBondContact O-CD 3.3Å |
| 221 | I | 95.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 129.3 | 167.8 | -60.4 | 174 | 0 | 0 | 0 | 109 | C186 V187 T188 V223 P246 Y248 Y293 K297 T302 | C186-I221 PolarHBondContact O-N 3.38Å; C186-I221 VanDerWaalsContact O-N 3.15Å; V187-I221 CarbonylContact C-O 3.53Å; V187-I221 VanDerWaalsContact CA-O 3.32Å; V187-I221 WeakPolarHBondContact CA-O 3.35Å; V187-I221 HydrophobicContact CG2-CB 4.42Å; T188-I221 PolarHBondContact N-O 3.35Å; T188-I221 PolarHBondContact OG1-O 3.11Å; I221-V223 HydrophobicContact CG2-CG2 3.98Å; I221-P246 HydrophobicContact CG1-CG 4.28Å; I221-Y248 HydrophobicContact CG2-CD2 3.61Å; I221-Y248 HydrophobicContact CG2-CE2 3.8Å; I221-Y293 HydrophobicContact CD1-CD1 3.86Å; I221-Y293 HydrophobicContact CD1-CG 4.22Å; I221-Y293 HydrophobicContact CG2-CD1 4.17Å; I221-Y293 HydrophobicContact CG2-CD2 4.44Å; I221-Y293 HydrophobicContact CG2-CG 3.98Å; I221-K297 HydrophobicContact CD1-CB 4.32Å; I221-K297 HydrophobicContact CD1-CD 4.48Å; I221-T302 HydrophobicContact CD1-CG2 3.98Å |
| 222 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 132.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | T188 F216 P246 L247 Y248 | T188-A222 CarbonylContact O-C 3.55Å; T188-A222 WeakPolarHBondContact O-CA 3.04Å; T188-A222 WeakPolarHBondContact OG1-CA 3.31Å; F216-A222 HydrophobicContact CD1-CB 3.66Å; F216-A222 HydrophobicContact CD2-CB 4.31Å; F216-A222 HydrophobicContact CE1-CB 3.6Å; F216-A222 HydrophobicContact CE2-CB 4.26Å; F216-A222 HydrophobicContact CG-CB 4.04Å; F216-A222 HydrophobicContact CZ-CB 3.91Å; A222-P246 PolarHBondContact N-O 2.82Å; A222-L247 HydrophobicContact CB-CD1 3.92Å; A222-L247 CarbonylContact O-C 3.56Å; A222-L247 WeakPolarHBondContact O-CA 3.4Å; A222-Y248 PolarHBondContact O-N 2.77Å |
| 223 | V | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 127.5 | 176.4 | -169.8 | 0 | 0 | 0 | 0 | 109.9 | V187 T188 V189 V190 I221 Y248 A250 L286 T289 Y293 | V187-V223 HydrophobicContact CG1-CG2 3.77Å; T188-V223 PolarHBondContact O-N 3.3Å; V189-V223 CarbonylContact C-O 3.44Å; V189-V223 VanDerWaalsContact CA-O 3.25Å; V189-V223 WeakPolarHBondContact CA-O 3.33Å; V190-V223 PolarHBondContact N-O 3.24Å; I221-V223 HydrophobicContact CG2-CG2 3.98Å; V223-Y248 CarbonylContact C-O 3.59Å; V223-Y248 VanDerWaalsContact CA-O 3.31Å; V223-Y248 WeakPolarHBondContact CA-O 3.35Å; V223-A250 HydrophobicContact CG1-CB 4.31Å; V223-L286 HydrophobicContact CB-CD1 4.4Å; V223-L286 HydrophobicContact CG1-CD1 3.62Å; V223-T289 HydrophobicContact CG1-CG2 3.91Å; V223-Y293 HydrophobicContact CG2-CD2 3.83Å; V223-Y293 HydrophobicContact CG2-CE2 4.45Å |
| 224 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 148.4 | 177.5 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | V190 F216 M233 F236 L247 Y248 V249 A250 | V190-V224 HydrophobicContact CB-CB 4.48Å; V190-V224 HydrophobicContact CB-CG1 3.95Å; V190-V224 HydrophobicContact CG2-CG1 4.12Å; V190-V224 CarbonylContact O-C 3.55Å; V190-V224 WeakPolarHBondContact O-CA 3.39Å; F216-V224 HydrophobicContact CZ-CG1 4.12Å; V224-M233 HydrophobicContact CG2-CE 4.45Å; V224-M233 HydrophobicContact CG2-SD 4.01Å; V224-F236 HydrophobicContact CB-CD2 4.43Å; V224-F236 HydrophobicContact CB-CE2 4.45Å; V224-F236 HydrophobicContact CG1-CD2 3.96Å; V224-F236 HydrophobicContact CG1-CE2 4.16Å; V224-F236 HydrophobicContact CG1-CG 4.18Å; V224-L247 HydrophobicContact CG1-CD1 3.69Å; V224-L247 HydrophobicContact CG2-CD1 4.26Å; V224-Y248 PolarHBondContact N-O 3.03Å; V224-V249 HydrophobicContact CG2-CB 4.38Å; V224-V249 HydrophobicContact CG2-CG2 3.89Å; V224-A250 PolarHBondContact O-N 3.14Å |
| 225 | S | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -54.2 | 146.1 | 173.6 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | V190 Q228 | V190-S225 PolarHBondContact O-N 3.05Å; S225-Q228 WeakPolarHBondContact O-CG 3.41Å | ||
| 226 | H | 95.6 | Very high | 96.4 | Very high | 82 Ų | 82 | 41.5 Ų | 41.5 | 38% | 0.38 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 151.9 | 164.6 | -164 | 74.1 | 0 | 0 | 0 | 111.2 | A250 L282 | H226-A250 VanDerWaalsContact CB-O 3.26Å; H226-A250 WeakPolarHBondContact CB-O 3.42Å; H226-L282 HydrophobicContact CB-CD2 3.91Å |
| 227 | G | 94.7 | Very high | 96.4 | Very high | 66 Ų | 66 | 43.3 Ų | 43.3 | 68% | 0.68 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 27.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 228 | Q | 96.1 | Very high | 96.5 | Very high | 24 Ų | 24 | 45.2 Ų | 45.2 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | trans | -67.6 | 151.4 | 167.3 | -60.7 | -69.9 | 1.1 | 0 | 0 | 110 | T191 S225 A232 M233 F236 | T191-Q228 PolarHBondContact O-NE2 2.87Å; S225-Q228 WeakPolarHBondContact O-CG 3.41Å; Q228-A232 HydrophobicContact CB-CB 4.14Å; Q228-M233 HydrophobicContact CB-CG 3.81Å; Q228-M233 HydrophobicContact CB-SD 3.79Å; Q228-M233 HydrophobicContact CG-SD 4.16Å; Q228-F236 HydrophobicContact CB-CE2 4.46Å; Q228-F236 HydrophobicContact CG-CE2 3.96Å | ||
| 229 | S | 96.7 | Very high | 96.7 | Very high | 51 Ų | 51 | 41.2 Ų | 41.2 | 36% | 0.357 | 23% | 0.232 | S | C | . | . | trans | -67.9 | 159.9 | 173.4 | 65.1 | 0 | 0 | 0 | 0 | 111.5 | I205 E231 A232 M233 | I205-S229 WeakPolarHBondContact CG2-OG 3.46Å; S229-E231 VanDerWaalsContact C-N 3.26Å; S229-E231 PolarHBondContact O-N 3.41Å; S229-A232 WeakPolarHBondContact O-CB 3.4Å; S229-A232 PolarHBondContact O-N 3.15Å; S229-A232 PolarHBondContact OG-N 2.8Å; S229-M233 PolarHBondContact O-N 2.91Å | ||
| 230 | D | 97.7 | Very high | 97.3 | Very high | 144 Ų | 144 | 39.2 Ų | 39.2 | 77% | 0.77 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -57.3 | -40.6 | 176.9 | -62.4 | -21.5 | 0 | 0 | 0 | 111.8 | A232 M233 H234 | D230-A232 VanDerWaalsContact C-N 3.33Å; D230-A232 PolarHBondContact O-N 3.1Å; D230-M233 PolarHBondContact O-N 3.43Å; D230-H234 VanDerWaalsContact O-CB 3.32Å; D230-H234 WeakPolarHBondContact O-CB 3.47Å; D230-H234 PolarHBondContact O-N 2.83Å |
| 231 | E | 97.2 | Very high | 97.4 | Very high | 116 Ų | 116 | 44.2 Ų | 44.2 | 54% | 0.542 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.2 | -42.3 | 175.3 | -63.4 | 173.3 | -176.8 | 0 | 0 | 112.4 | S229 K235 | S229-E231 VanDerWaalsContact C-N 3.26Å; S229-E231 PolarHBondContact O-N 3.41Å; E231-K235 PolarHBondContact O-N 3.25Å |
| 232 | A | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.4 | -46.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | L193 I205 A209 Q228 S229 D230 H234 K235 F236 | L193-A232 HydrophobicContact CD1-CB 3.89Å; I205-A232 HydrophobicContact CG2-CB 3.73Å; A209-A232 HydrophobicContact CB-CB 4.2Å; Q228-A232 HydrophobicContact CB-CB 4.14Å; S229-A232 WeakPolarHBondContact O-CB 3.4Å; S229-A232 PolarHBondContact O-N 3.15Å; S229-A232 PolarHBondContact OG-N 2.8Å; D230-A232 VanDerWaalsContact C-N 3.33Å; D230-A232 PolarHBondContact O-N 3.1Å; A232-H234 PolarHBondContact O-N 3.15Å; A232-K235 PolarHBondContact O-N 2.81Å; A232-F236 HydrophobicContact CB-CD2 4.43Å; A232-F236 HydrophobicContact CB-CE2 3.97Å; A232-F236 WeakPolarHBondContact O-CD2 3.44Å; A232-F236 VanDerWaalsContact O-CG 3.27Å; A232-F236 WeakPolarHBondContact O-CG 3.34Å; A232-F236 PolarHBondContact O-N 3.43Å |
| 233 | M | 98.3 | Very high | 97.3 | Very high | 33 Ų | 33 | 51.2 Ų | 51.2 | 16% | 0.163 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 179.9 | -76.5 | -54.7 | -56.1 | 0 | 0 | 111.9 | V224 Q228 S229 D230 K235 F236 I237 V249 L312 | V224-M233 HydrophobicContact CG2-CE 4.45Å; V224-M233 HydrophobicContact CG2-SD 4.01Å; Q228-M233 HydrophobicContact CB-CG 3.81Å; Q228-M233 HydrophobicContact CB-SD 3.79Å; Q228-M233 HydrophobicContact CG-SD 4.16Å; S229-M233 PolarHBondContact O-N 2.91Å; D230-M233 PolarHBondContact O-N 3.43Å; M233-K235 VanDerWaalsContact C-N 3.28Å; M233-K235 PolarHBondContact O-N 2.85Å; M233-F236 PolarHBondContact O-N 2.82Å; M233-F236 VanDerWaalsContact O-N 3.16Å; M233-F236 HydrophobicContact SD-CD2 4.14Å; M233-I237 VanDerWaalsContact O-CG1 3.24Å; M233-I237 WeakPolarHBondContact O-CG1 3.15Å; M233-I237 PolarHBondContact O-N 3.46Å; M233-V249 HydrophobicContact CE-CG2 3.54Å; M233-V249 HydrophobicContact SD-CG2 4.23Å; M233-L312 HydrophobicContact CE-CD1 4.3Å |
| 234 | H | 98.3 | Very high | 97.2 | Very high | 134 Ų | 134 | 55.4 Ų | 55.4 | 62% | 0.62 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -56 | -46.6 | 176.7 | -174.4 | 71 | 0 | 0 | 0 | 111.1 | D230 A232 I237 E238 | D230-H234 VanDerWaalsContact O-CB 3.32Å; D230-H234 WeakPolarHBondContact O-CB 3.47Å; D230-H234 PolarHBondContact O-N 2.83Å; A232-H234 PolarHBondContact O-N 3.15Å; H234-I237 PolarHBondContact O-N 2.89Å; H234-E238 PolarHBondContact O-N 2.77Å |
| 235 | K | 98.5 | Very high | 97 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 17% | 0.174 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.8 | -35.8 | 178.4 | -175.6 | 58.6 | 75.8 | -170.4 | 0 | 112.9 | A209 W210 E231 A232 M233 I237 E238 E239 | A209-K235 HydrophobicContact CB-CB 3.93Å; A209-K235 HydrophobicContact CB-CG 4.02Å; W210-K235 HydrophobicContact CB-CD 3.86Å; W210-K235 HydrophobicContact CB-CG 3.84Å; W210-K235 HydrophobicContact CG-CD 4.39Å; E231-K235 PolarHBondContact O-N 3.25Å; A232-K235 PolarHBondContact O-N 2.81Å; M233-K235 VanDerWaalsContact C-N 3.28Å; M233-K235 PolarHBondContact O-N 2.85Å; K235-I237 VanDerWaalsContact C-N 3.34Å; K235-E238 WeakPolarHBondContact CE-OE2 3.48Å; K235-E238 IonicContact NZ-OE1 3.02Å; K235-E238 PolarHBondContact NZ-OE1 3.47Å; K235-E238 IonicContact NZ-OE2 2.68Å; K235-E238 PolarHBondContact NZ-OE2 2.97Å; K235-E239 HydrophobicContact CD-CG 4.03Å; K235-E239 HydrophobicContact CG-CG 4.39Å; K235-E239 WeakPolarHBondContact O-CB 3.21Å; K235-E239 VanDerWaalsContact O-CG 3.23Å; K235-E239 WeakPolarHBondContact O-CG 3.43Å; K235-E239 PolarHBondContact O-N 3.46Å |
| 236 | F | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 174.8 | -66.7 | -41.1 | 0 | 0 | 0 | 112.5 | V190 L193 A209 A213 F216 V224 Q228 A232 M233 A240 L247 | V190-F236 HydrophobicContact CB-CE1 4.38Å; V190-F236 HydrophobicContact CB-CZ 4.15Å; V190-F236 HydrophobicContact CG1-CE1 4.01Å; V190-F236 HydrophobicContact CG1-CZ 3.61Å; V190-F236 HydrophobicContact CG2-CE1 4.12Å; V190-F236 HydrophobicContact CG2-CZ 4.4Å; L193-F236 HydrophobicContact CD1-CE2 4.29Å; L193-F236 HydrophobicContact CD1-CZ 3.68Å; L193-F236 HydrophobicContact CD2-CZ 4.37Å; L193-F236 HydrophobicContact CG-CZ 4.08Å; A209-F236 HydrophobicContact CB-CD1 4.36Å; A209-F236 HydrophobicContact CB-CE1 3.9Å; A209-F236 HydrophobicContact CB-CZ 4.1Å; A213-F236 HydrophobicContact CB-CD1 3.9Å; A213-F236 HydrophobicContact CB-CE1 4.26Å; F216-F236 HydrophobicContact CE2-CB 4.27Å; F216-F236 HydrophobicContact CE2-CD1 4.13Å; F216-F236 HydrophobicContact CZ-CD1 4.02Å; V224-F236 HydrophobicContact CB-CD2 4.43Å; V224-F236 HydrophobicContact CB-CE2 4.45Å; V224-F236 HydrophobicContact CG1-CD2 3.96Å; V224-F236 HydrophobicContact CG1-CE2 4.16Å; V224-F236 HydrophobicContact CG1-CG 4.18Å; Q228-F236 HydrophobicContact CB-CE2 4.46Å; Q228-F236 HydrophobicContact CG-CE2 3.96Å; A232-F236 HydrophobicContact CB-CD2 4.43Å; A232-F236 HydrophobicContact CB-CE2 3.97Å; A232-F236 WeakPolarHBondContact O-CD2 3.44Å; A232-F236 VanDerWaalsContact O-CG 3.27Å; A232-F236 WeakPolarHBondContact O-CG 3.34Å; A232-F236 PolarHBondContact O-N 3.43Å; M233-F236 PolarHBondContact O-N 2.82Å; M233-F236 VanDerWaalsContact O-N 3.16Å; M233-F236 HydrophobicContact SD-CD2 4.14Å; F236-A240 VanDerWaalsContact O-CB 3.27Å; F236-A240 WeakPolarHBondContact O-CB 3.23Å; F236-A240 PolarHBondContact O-N 2.9Å; F236-L247 HydrophobicContact CB-CD2 3.85Å |
| 237 | I | 98.3 | Very high | 96.9 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -51.3 | 177.5 | -66.2 | 165.6 | 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 3.15Å; M233-I237 PolarHBondContact O-N 3.46Å; H234-I237 PolarHBondContact O-N 2.89Å; K235-I237 VanDerWaalsContact C-N 3.34Å; I237-E239 VanDerWaalsContact C-N 3.3Å; I237-E239 PolarHBondContact O-N 3.08Å; I237-A240 PolarHBondContact O-N 3.01Å; I237-E241 HydrophobicContact CG2-CG 4.48Å; I237-E241 WeakPolarHBondContact O-CG 3.36Å; I237-E241 PolarHBondContact O-N 2.8Å; I237-L247 HydrophobicContact CG1-CD2 3.95Å; I237-L312 HydrophobicContact CD1-CB 4.48Å; I237-L312 HydrophobicContact CD1-CD2 4.12Å; I237-L312 HydrophobicContact CG1-CB 4.21Å |
| 238 | E | 98.2 | Very high | 97 | Very high | 79 Ų | 79 | 50.7 Ų | 50.7 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -53.5 | -46.7 | 177.3 | -177.5 | -169.8 | 158.6 | 0 | 0 | 111.8 | H234 K235 L242 | H234-E238 PolarHBondContact O-N 2.77Å; K235-E238 WeakPolarHBondContact CE-OE2 3.48Å; K235-E238 IonicContact NZ-OE1 3.02Å; K235-E238 PolarHBondContact NZ-OE1 3.47Å; K235-E238 IonicContact NZ-OE2 2.68Å; K235-E238 PolarHBondContact NZ-OE2 2.97Å; E238-L242 WeakPolarHBondContact O-CB 3.35Å; E238-L242 PolarHBondContact O-N 2.9Å |
| 239 | E | 98.2 | Very high | 97.1 | Very high | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.033 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.7 | -37.5 | -179 | -68.1 | -69.3 | 150.6 | 0 | 0 | 112.5 | R175 W210 A213 F216 K235 I237 L242 V243 | R175-E239 IonicContact CZ-OE2 3.86Å; R175-E239 IonicContact NH1-OE2 3.43Å; R175-E239 IonicContact NH2-OE1 2.81Å; R175-E239 PolarHBondContact NH2-OE1 3.28Å; R175-E239 IonicContact NH2-OE2 3.02Å; R175-E239 PolarHBondContact NH2-OE2 3.31Å; W210-E239 PolarHBondContact NE1-OE1 2.93Å; A213-E239 HydrophobicContact CB-CB 3.68Å; A213-E239 HydrophobicContact CB-CG 3.73Å; F216-E239 HydrophobicContact CD2-CB 4.22Å; K235-E239 HydrophobicContact CD-CG 4.03Å; K235-E239 HydrophobicContact CG-CG 4.39Å; K235-E239 WeakPolarHBondContact O-CB 3.21Å; K235-E239 VanDerWaalsContact O-CG 3.23Å; K235-E239 WeakPolarHBondContact O-CG 3.43Å; K235-E239 PolarHBondContact O-N 3.46Å; I237-E239 VanDerWaalsContact C-N 3.3Å; I237-E239 PolarHBondContact O-N 3.08Å; E239-L242 PolarHBondContact O-N 3.17Å; E239-V243 WeakPolarHBondContact O-CG2 3.35Å; E239-V243 PolarHBondContact O-N 3.15Å; E239-V243 VanDerWaalsContact O-N 3.1Å |
| 240 | A | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -39 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F216 F236 I237 N244 C245 L247 | F216-A240 HydrophobicContact CD2-CB 4.27Å; F216-A240 HydrophobicContact CE2-CB 4.46Å; F236-A240 VanDerWaalsContact O-CB 3.27Å; F236-A240 WeakPolarHBondContact O-CB 3.23Å; F236-A240 PolarHBondContact O-N 2.9Å; I237-A240 PolarHBondContact O-N 3.01Å; A240-N244 PolarHBondContact O-N 2.84Å; A240-N244 VanDerWaalsContact O-N 3.08Å; A240-C245 PolarHBondContact O-N 3.04Å; A240-L247 HydrophobicContact CB-CB 3.74Å; A240-L247 HydrophobicContact CB-CD2 4.22Å |
| 241 | E | 96.4 | Very high | 96.9 | Very high | 106 Ų | 106 | 42.3 Ų | 42.3 | 50% | 0.495 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.5 | -45 | 172.8 | -71.2 | 173.6 | 175.5 | 0 | 0 | 111.2 | I237 V243 N244 | I237-E241 HydrophobicContact CG2-CG 4.48Å; I237-E241 WeakPolarHBondContact O-CG 3.36Å; I237-E241 PolarHBondContact O-N 2.8Å; E241-V243 VanDerWaalsContact C-N 3.3Å; E241-V243 PolarHBondContact O-N 3.49Å; E241-N244 PolarHBondContact O-N 3.15Å; E241-N244 VanDerWaalsContact O-N 3.07Å; E241-N244 PolarHBondContact O-OD1 2.74Å |
| 242 | L | 96.5 | Very high | 96.8 | Very high | 119 Ų | 119 | 39.2 Ų | 39.2 | 62% | 0.623 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -57.5 | -41.2 | 179.2 | -179.3 | 65.9 | 0 | 0 | 0 | 112.6 | E238 E239 | E238-L242 WeakPolarHBondContact O-CB 3.35Å; E238-L242 PolarHBondContact O-N 2.9Å; E239-L242 PolarHBondContact O-N 3.17Å |
| 243 | V | 95.5 | Very high | 96.5 | Very high | 33 Ų | 33 | 39.7 Ų | 39.7 | 20% | 0.2 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 2.6 | 179 | -57.4 | 0 | 0 | 0 | 0 | 113.8 | F216 T218 E239 E241 C245 | F216-V243 HydrophobicContact CB-CG2 3.8Å; T218-V243 VanDerWaalsContact CA-O 3.22Å; T218-V243 WeakPolarHBondContact CA-O 3.42Å; T218-V243 WeakPolarHBondContact CB-O 3.5Å; T218-V243 PolarHBondContact OG1-O 3.45Å; E239-V243 WeakPolarHBondContact O-CG2 3.35Å; E239-V243 PolarHBondContact O-N 3.15Å; E239-V243 VanDerWaalsContact O-N 3.1Å; E241-V243 VanDerWaalsContact C-N 3.3Å; E241-V243 PolarHBondContact O-N 3.49Å; V243-C245 HydrophobicContact CG2-CB 3.99Å; V243-C245 VanDerWaalsContact CG2-SG 3.58Å |
| 244 | N | 94.5 | Very high | 96.2 | Very high | 88 Ų | 88 | 44.2 Ų | 44.2 | 47% | 0.471 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 53.6 | -176.2 | -57.1 | -64.2 | 0 | 0 | 0 | 113.3 | A240 E241 I310 | A240-N244 PolarHBondContact O-N 2.84Å; A240-N244 VanDerWaalsContact O-N 3.08Å; E241-N244 PolarHBondContact O-N 3.15Å; E241-N244 VanDerWaalsContact O-N 3.07Å; E241-N244 PolarHBondContact O-OD1 2.74Å; N244-I310 HydrophobicContact CB-CD1 3.95Å; N244-I310 HydrophobicContact CB-CG1 4.2Å |
| 245 | C | 94.4 | Very high | 96 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -120.6 | 146.6 | 175.1 | 78 | 0 | 0 | 0 | 0 | 112.3 | K217 S220 A240 V243 G311 | K217-C245 VanDerWaalsContact O-CB 3.3Å; K217-C245 WeakPolarHBondContact O-CB 3.23Å; S220-C245 WeakPolarHBondContact O-CB 3.45Å; A240-C245 PolarHBondContact O-N 3.04Å; V243-C245 HydrophobicContact CG2-CB 3.99Å; V243-C245 VanDerWaalsContact CG2-SG 3.58Å; C245-G311 PolarHBondContact O-N 3.03Å | ||
| 246 | P | 95.2 | Very high | 95.8 | Very high | 20 Ų | 20 | 38.8 Ų | 38.8 | 13% | 0.13 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 132.4 | 169.8 | 24.4 | -31.4 | 0 | 0 | 0 | 110.8 | S220 I221 A222 Y248 N309 Q313 | S220-P246 WeakPolarHBondContact O-CD 3.3Å; I221-P246 HydrophobicContact CG1-CG 4.28Å; A222-P246 PolarHBondContact N-O 2.82Å; P246-Y248 HydrophobicContact CB-CD2 4.47Å; P246-Y248 HydrophobicContact CB-CE2 3.74Å; P246-Y248 HydrophobicContact CG-CE2 4.35Å; P246-N309 WeakPolarHBondContact CA-O 3.48Å; P246-N309 HydrophobicContact CB-CB 4.4Å; P246-N309 WeakPolarHBondContact CB-O 3.18Å; P246-N309 VanDerWaalsContact CD-O 3.32Å; P246-N309 WeakPolarHBondContact CD-O 3.35Å; P246-Q313 HydrophobicContact CB-CG 3.69Å |
| 247 | L | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.7 | 175.5 | 172.4 | 65.5 | 0 | 0 | 0 | 110.3 | F216 A222 V224 F236 I237 A240 G311 L312 Q313 | F216-L247 HydrophobicContact CE2-CD1 4.32Å; F216-L247 HydrophobicContact CZ-CD1 4.12Å; A222-L247 HydrophobicContact CB-CD1 3.92Å; A222-L247 CarbonylContact O-C 3.56Å; A222-L247 WeakPolarHBondContact O-CA 3.4Å; 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 3.95Å; A240-L247 HydrophobicContact CB-CB 3.74Å; A240-L247 HydrophobicContact CB-CD2 4.22Å; L247-G311 PolarHBondContact N-O 3.43Å; L247-L312 HydrophobicContact CD2-CD1 4.4Å; L247-L312 HydrophobicContact CG-CD1 4.36Å; L247-L312 CarbonylContact O-C 3.6Å; L247-L312 WeakPolarHBondContact O-CA 3.39Å; L247-Q313 PolarHBondContact O-N 2.68Å |
| 248 | Y | 97 | Very high | 95.5 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 11% | 0.114 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.4 | 174.7 | -62.9 | -86.9 | 0 | 0 | 0 | 110.9 | I221 A222 V223 V224 P246 Y293 Q313 P314 | I221-Y248 HydrophobicContact CG2-CD2 3.61Å; I221-Y248 HydrophobicContact CG2-CE2 3.8Å; A222-Y248 PolarHBondContact O-N 2.77Å; V223-Y248 CarbonylContact C-O 3.59Å; V223-Y248 VanDerWaalsContact CA-O 3.31Å; V223-Y248 WeakPolarHBondContact CA-O 3.35Å; V224-Y248 PolarHBondContact N-O 3.03Å; P246-Y248 HydrophobicContact CB-CD2 4.47Å; P246-Y248 HydrophobicContact CB-CE2 3.74Å; P246-Y248 HydrophobicContact CG-CE2 4.35Å; Y248-Y293 HydrophobicContact CD1-CE1 4.2Å; Y248-Y293 HydrophobicContact CD1-CE2 4.22Å; Y248-Y293 AromaticContact CD1-CZ 3.54Å; Y248-Y293 WeakPolarHBondContact CD1-OH 3.26Å; Y248-Y293 AromaticContact CD2-CE1 3.97Å; Y248-Y293 HydrophobicContact CD2-CE1 3.97Å; Y248-Y293 HydrophobicContact CD2-CE2 4.1Å; Y248-Y293 AromaticContact CD2-CZ 3.77Å; Y248-Y293 AromaticContact CE1-CE1 3.95Å; Y248-Y293 HydrophobicContact CE1-CE1 3.95Å; Y248-Y293 AromaticContact CE1-CZ 3.74Å; Y248-Y293 WeakPolarHBondContact CE1-OH 3.36Å; Y248-Y293 HydrophobicContact CE2-CD1 4.29Å; Y248-Y293 AromaticContact CE2-CE1 3.71Å; Y248-Y293 HydrophobicContact CE2-CE1 3.71Å; Y248-Y293 AromaticContact CE2-CZ 3.95Å; Y248-Y293 HydrophobicContact CG-CE1 4.19Å; Y248-Y293 AromaticContact CG-CE2 3.84Å; Y248-Y293 HydrophobicContact CG-CE2 3.84Å; Y248-Y293 AromaticContact CG-CZ 3.54Å; Y248-Y293 AromaticContact CZ-CE1 3.72Å; Y248-Y293 AromaticContact CZ-CZ 3.95Å; Y248-Q313 HydrophobicContact CD1-CB 3.51Å; Y248-Q313 HydrophobicContact CD1-CG 4.38Å; Y248-Q313 HydrophobicContact CE1-CB 3.16Å; Y248-Q313 HydrophobicContact CE1-CG 3.85Å; Y248-Q313 HydrophobicContact CE2-CB 4.25Å; Y248-Q313 HydrophobicContact CE2-CG 4.11Å; Y248-Q313 HydrophobicContact CG-CB 4.2Å; Y248-P314 WeakPolarHBondContact CD1-O 3.29Å; Y248-P314 WeakPolarHBondContact CE1-O 3.49Å |
| 249 | V | 97.1 | Very high | 95.2 | Very high | 29 Ų | 29 | 43.1 Ų | 43.1 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 126.7 | 166.3 | -176.5 | 0 | 0 | 0 | 0 | 107.4 | V224 M233 L312 | V224-V249 HydrophobicContact CG2-CB 4.38Å; V224-V249 HydrophobicContact CG2-CG2 3.89Å; M233-V249 HydrophobicContact CE-CG2 3.54Å; M233-V249 HydrophobicContact SD-CG2 4.23Å; V249-L312 HydrophobicContact CG2-CD1 4.05Å |
| 250 | A | 96.7 | Very high | 95 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 136 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V223 V224 H226 L286 T289 | V223-A250 HydrophobicContact CG1-CB 4.31Å; V224-A250 PolarHBondContact O-N 3.14Å; H226-A250 VanDerWaalsContact CB-O 3.26Å; H226-A250 WeakPolarHBondContact CB-O 3.42Å; A250-L286 HydrophobicContact CB-CB 4.27Å; A250-L286 HydrophobicContact CB-CD1 3.77Å; A250-T289 HydrophobicContact CB-CG2 4.33Å |
| 251 | P | 94.8 | Very high | 94.9 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 8% | 0.078 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 169.4 | 172.7 | 26.7 | -33.6 | 0 | 0 | 0 | 111.4 | L256 A285 T289 T315 | P251-L256 HydrophobicContact CB-CG 4.46Å; P251-L256 HydrophobicContact CG-CD1 4.07Å; P251-L256 HydrophobicContact CG-CD2 3.51Å; P251-L256 HydrophobicContact CG-CG 3.68Å; P251-A285 VanDerWaalsContact O-CB 3.26Å; P251-A285 WeakPolarHBondContact O-CB 3.36Å; P251-T289 WeakPolarHBondContact CD-OG1 3.37Å; P251-T315 HydrophobicContact CB-CG2 4Å; P251-T315 HydrophobicContact CG-CG2 4.15Å |
| 252 | T | 93.5 | Very high | 94.8 | Very high | 51 Ų | 51 | 47.7 Ų | 47.7 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 156.7 | 164.7 | 59 | 0 | 0 | 0 | 0 | 110.3 | D254 S255 L256 | T252-D254 VanDerWaalsContact C-N 3.27Å; T252-D254 PolarHBondContact O-N 3.37Å; T252-S255 PolarHBondContact O-N 3.01Å; T252-S255 PolarHBondContact OG1-N 2.96Å; T252-L256 PolarHBondContact O-N 3.19Å |
| 253 | L | 93.3 | Very high | 94.7 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.4 | -44.5 | 175.4 | -176.8 | 64.5 | 0 | 0 | 0 | 110.9 | S255 L256 L257 L270 L281 L284 A285 L288 L325 | L253-S255 PolarHBondContact O-N 3.36Å; L253-L256 WeakPolarHBondContact O-CA 3.35Å; L253-L256 WeakPolarHBondContact O-CB 3.36Å; L253-L256 PolarHBondContact O-N 3.1Å; L253-L257 HydrophobicContact CD1-CD2 4.2Å; L253-L257 HydrophobicContact CG-CD1 4.21Å; L253-L257 HydrophobicContact CG-CD2 4.34Å; L253-L257 HydrophobicContact CG-CG 4.21Å; L253-L257 WeakPolarHBondContact O-CG 3.45Å; L253-L257 PolarHBondContact O-N 3.31Å; L253-L257 VanDerWaalsContact O-N 3.15Å; L253-L270 HydrophobicContact CD2-CD2 4.07Å; L253-L281 HydrophobicContact CD2-CB 4.32Å; L253-L281 HydrophobicContact CD2-CD2 3.74Å; L253-L284 HydrophobicContact CD1-CD2 3.79Å; L253-L284 HydrophobicContact CD1-CG 4.06Å; L253-L284 HydrophobicContact CD2-CD2 3.81Å; L253-L284 HydrophobicContact CG-CD2 4.46Å; L253-A285 HydrophobicContact CB-CB 4.33Å; L253-L288 HydrophobicContact CD1-CD1 4.22Å; L253-L325 HydrophobicContact CD1-CD1 4.43Å |
| 254 | D | 92 | Very high | 94.5 | Very high | 128 Ų | 128 | 48.3 Ų | 48.3 | 68% | 0.684 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -56.3 | -36 | -179.4 | -61.8 | -29.1 | 0 | 0 | 0 | 112.7 | T252 L256 L257 | T252-D254 VanDerWaalsContact C-N 3.27Å; T252-D254 PolarHBondContact O-N 3.37Å; D254-L256 VanDerWaalsContact C-N 3.29Å; D254-L256 PolarHBondContact O-N 2.95Å; D254-L257 PolarHBondContact O-N 3.32Å |
| 255 | S | 93.4 | Very high | 94.4 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 39% | 0.392 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.9 | -27.8 | 175 | 174 | 0 | 0 | 0 | 0 | 112.7 | T252 L253 K319 | T252-S255 PolarHBondContact O-N 3.01Å; T252-S255 PolarHBondContact OG1-N 2.96Å; L253-S255 PolarHBondContact O-N 3.36Å; S255-K319 WeakPolarHBondContact O-CD 3.24Å; S255-K319 VanDerWaalsContact O-CE 3.26Å; S255-K319 WeakPolarHBondContact O-CE 3.42Å; S255-K319 PolarHBondContact O-NZ 3.08Å |
| 256 | L | 94.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -82.6 | -18.3 | 176.1 | -65 | 175.2 | 0 | 0 | 0 | 113.3 | P251 T252 L253 D254 N261 A285 L288 P320 | P251-L256 HydrophobicContact CB-CG 4.46Å; P251-L256 HydrophobicContact CG-CD1 4.07Å; P251-L256 HydrophobicContact CG-CD2 3.51Å; P251-L256 HydrophobicContact CG-CG 3.68Å; T252-L256 PolarHBondContact O-N 3.19Å; L253-L256 WeakPolarHBondContact O-CA 3.35Å; L253-L256 WeakPolarHBondContact O-CB 3.36Å; L253-L256 PolarHBondContact O-N 3.1Å; D254-L256 VanDerWaalsContact C-N 3.29Å; D254-L256 PolarHBondContact O-N 2.95Å; L256-N261 PolarHBondContact O-ND2 2.8Å; L256-A285 HydrophobicContact CD1-CB 3.93Å; L256-L288 HydrophobicContact CD1-CB 4.17Å; L256-L288 HydrophobicContact CD1-CD1 4.05Å; L256-P320 HydrophobicContact CB-CG 4.42Å; L256-P320 WeakPolarHBondContact O-CD 3.12Å |
| 257 | L | 94.2 | Very high | 94.1 | Very high | 37 Ų | 37 | 49.9 Ų | 49.9 | 19% | 0.194 | 27% | 0.272 | C | S | . | . | trans | -82.1 | 138 | -178 | -60.1 | -178.7 | 0 | 0 | 0 | 111 | L253 D254 M262 L270 L325 | L253-L257 HydrophobicContact CD1-CD2 4.2Å; L253-L257 HydrophobicContact CG-CD1 4.21Å; L253-L257 HydrophobicContact CG-CD2 4.34Å; L253-L257 HydrophobicContact CG-CG 4.21Å; L253-L257 WeakPolarHBondContact O-CG 3.45Å; L253-L257 PolarHBondContact O-N 3.31Å; L253-L257 VanDerWaalsContact O-N 3.15Å; D254-L257 PolarHBondContact O-N 3.32Å; L257-M262 HydrophobicContact CB-CG 4.09Å; L257-M262 HydrophobicContact CB-SD 4.3Å; L257-M262 HydrophobicContact CD1-CE 4.27Å; L257-M262 HydrophobicContact CD1-SD 3.83Å; L257-M262 HydrophobicContact CD2-CG 4.37Å; L257-M262 HydrophobicContact CD2-SD 3.72Å; L257-M262 HydrophobicContact CG-SD 4.13Å; L257-L270 HydrophobicContact CD1-CD1 3.85Å; L257-L270 HydrophobicContact CD2-CD1 4.14Å; L257-L325 HydrophobicContact CD2-CD1 4.42Å; L257-L325 HydrophobicContact CD2-CD2 3.46Å; L257-L325 VanDerWaalsContact CD2-CD2 3.46Å | ||
| 258 | T | 94.7 | Very high | 93.6 | Very high | 42 Ų | 42 | 54 Ų | 54 | 26% | 0.258 | 29% | 0.294 | S | S | . | . | trans | -132.3 | 162.9 | 174.1 | 68.5 | 0 | 0 | 0 | 0 | 109.6 | E260 N261 M262 K319 | T258-E260 PolarHBondContact O-N 3.05Å; T258-E260 PolarHBondContact OG1-N 3.39Å; T258-N261 PolarHBondContact N-OD1 3.39Å; T258-N261 PolarHBondContact O-N 3.07Å; T258-N261 PolarHBondContact O-OD1 3.38Å; T258-N261 PolarHBondContact OG1-N 3.17Å; T258-N261 VanDerWaalsContact OG1-N 3.17Å; T258-M262 WeakPolarHBondContact O-CB 3.32Å; T258-M262 WeakPolarHBondContact O-CG 3.31Å; T258-M262 PolarHBondContact O-N 3.29Å; T258-K319 HydrophobicContact CG2-CB 4.12Å; T258-K319 HydrophobicContact CG2-CD 3.98Å; T258-K319 HydrophobicContact CG2-CG 3.71Å | ||
| 259 | T | 93.1 | Very high | 93.1 | Very high | 133 Ų | 133 | 55.7 Ų | 55.7 | 82% | 0.816 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -32.3 | 173.4 | -49.3 | 0 | 0 | 0 | 0 | 111.9 | ||
| 260 | E | 94 | Very high | 92.6 | Very high | 176 Ų | 176 | 54.7 Ų | 54.7 | 82% | 0.822 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -43.3 | -177.5 | -62.7 | 170.3 | -178.6 | 0 | 0 | 112.8 | T258 | T258-E260 PolarHBondContact O-N 3.05Å; T258-E260 PolarHBondContact OG1-N 3.39Å |
| 261 | N | 95.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.027 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -19.5 | -179.6 | 71.2 | 17.2 | 0 | 0 | 0 | 113.1 | L256 T258 T263 I266 P320 S322 | L256-N261 PolarHBondContact O-ND2 2.8Å; T258-N261 PolarHBondContact N-OD1 3.39Å; T258-N261 PolarHBondContact O-N 3.07Å; T258-N261 PolarHBondContact O-OD1 3.38Å; T258-N261 PolarHBondContact OG1-N 3.17Å; T258-N261 VanDerWaalsContact OG1-N 3.17Å; N261-T263 PolarHBondContact O-N 3.19Å; N261-I266 WeakPolarHBondContact O-CD1 3.49Å; N261-P320 VanDerWaalsContact CB-O 3.26Å; N261-P320 WeakPolarHBondContact CB-O 3.47Å; N261-P320 PolarHBondContact ND2-O 2.88Å; N261-S322 WeakPolarHBondContact O-CB 3.49Å |
| 262 | M | 93.7 | Very high | 90.5 | Very high | 29 Ų | 29 | 63.7 Ų | 63.7 | 14% | 0.143 | 35% | 0.345 | C | S | . | . | trans | -78.5 | 65.1 | 176.8 | -73.4 | -67.2 | -75.9 | 0 | 0 | 112.8 | L257 T258 I266 K267 L270 | L257-M262 HydrophobicContact CB-CG 4.09Å; L257-M262 HydrophobicContact CB-SD 4.3Å; L257-M262 HydrophobicContact CD1-CE 4.27Å; L257-M262 HydrophobicContact CD1-SD 3.83Å; L257-M262 HydrophobicContact CD2-CG 4.37Å; L257-M262 HydrophobicContact CD2-SD 3.72Å; L257-M262 HydrophobicContact CG-SD 4.13Å; T258-M262 WeakPolarHBondContact O-CB 3.32Å; T258-M262 WeakPolarHBondContact O-CG 3.31Å; T258-M262 PolarHBondContact O-N 3.29Å; M262-I266 HydrophobicContact CE-CG2 4.47Å; M262-I266 HydrophobicContact SD-CG2 3.54Å; M262-I266 VanDerWaalsContact SD-CG2 3.54Å; M262-K267 HydrophobicContact CB-CG 4.3Å; M262-K267 HydrophobicContact CE-CG 3.77Å; M262-K267 WeakPolarHBondContact O-CD 3.42Å; M262-K267 WeakPolarHBondContact O-CE 3.48Å; M262-K267 PolarHBondContact O-NZ 3.02Å; M262-L270 HydrophobicContact CE-CD1 3.99Å; M262-L270 HydrophobicContact SD-CD1 3.76Å | ||
| 263 | T | 94 | Very high | 88.7 | Confident | 50 Ų | 50 | 63.9 Ų | 63.9 | 31% | 0.307 | 35% | 0.346 | S | S | . | . | trans | -64.3 | 161.5 | 170.4 | 62.7 | 0 | 0 | 0 | 0 | 111.9 | N261 I266 K267 | N261-T263 PolarHBondContact O-N 3.19Å; T263-I266 PolarHBondContact O-N 2.83Å; T263-I266 WeakPolarHBondContact OG1-CD1 3.48Å; T263-K267 PolarHBondContact O-N 2.93Å | ||
| 264 | E | 93.1 | Very high | 86.9 | Confident | 114 Ų | 114 | 70.3 Ų | 70.3 | 53% | 0.533 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.4 | -41.4 | -178.2 | -158.1 | 59.2 | -152.7 | 0 | 0 | 114.3 | I266 K267 N268 | E264-I266 VanDerWaalsContact C-N 3.33Å; E264-I266 PolarHBondContact O-N 2.91Å; E264-K267 PolarHBondContact O-N 3.36Å; E264-N268 WeakPolarHBondContact O-CB 3.45Å; E264-N268 VanDerWaalsContact O-CG 3.3Å; E264-N268 PolarHBondContact O-N 2.88Å; E264-N268 PolarHBondContact O-ND2 3.33Å; E264-N268 VanDerWaalsContact O-ND2 3.14Å |
| 265 | P | 91.2 | Very high | 85.6 | Confident | 71 Ų | 71 | 65.2 Ų | 65.2 | 46% | 0.461 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 173.7 | -24.7 | 35.6 | 0 | 0 | 0 | 113 | N268 I269 | P265-N268 PolarHBondContact O-N 3.33Å; P265-I269 VanDerWaalsContact O-CG1 3.31Å; P265-I269 WeakPolarHBondContact O-CG1 3.21Å; P265-I269 PolarHBondContact O-N 2.74Å |
| 266 | I | 92.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.2 | -45.9 | 179 | -70.5 | 168.1 | 0 | 0 | 0 | 110.1 | N261 M262 T263 E264 N268 I269 L270 S322 L325 L326 L329 | N261-I266 WeakPolarHBondContact O-CD1 3.49Å; M262-I266 HydrophobicContact CE-CG2 4.47Å; M262-I266 HydrophobicContact SD-CG2 3.54Å; M262-I266 VanDerWaalsContact SD-CG2 3.54Å; T263-I266 PolarHBondContact O-N 2.83Å; T263-I266 WeakPolarHBondContact OG1-CD1 3.48Å; E264-I266 VanDerWaalsContact C-N 3.33Å; E264-I266 PolarHBondContact O-N 2.91Å; I266-N268 VanDerWaalsContact C-N 3.25Å; I266-N268 PolarHBondContact O-N 3.42Å; I266-I269 PolarHBondContact O-N 3.47Å; I266-I269 VanDerWaalsContact O-N 3.14Å; I266-L270 HydrophobicContact CG2-CD1 3.71Å; I266-L270 HydrophobicContact CG2-CG 4.21Å; I266-L270 WeakPolarHBondContact O-CB 3.38Å; I266-L270 PolarHBondContact O-N 3.37Å; I266-S322 WeakPolarHBondContact CD1-O 3.26Å; I266-L325 HydrophobicContact CD1-CB 4.01Å; I266-L325 HydrophobicContact CD1-CD2 3.95Å; I266-L325 HydrophobicContact CD1-CG 3.97Å; I266-L325 HydrophobicContact CG2-CD2 3.76Å; I266-L325 HydrophobicContact CG2-CG 4.21Å; I266-L326 HydrophobicContact CD1-CB 4.35Å; I266-L326 HydrophobicContact CG1-CB 4.37Å; I266-L326 HydrophobicContact CG1-CD1 4.18Å; I266-L329 HydrophobicContact CG1-CD1 4.28Å; I266-L329 HydrophobicContact CG2-CD1 4.05Å |
| 267 | K | 90.7 | Very high | 83.9 | Confident | 71 Ų | 71 | 65.5 Ų | 65.5 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.2 | -41.7 | 172.5 | -76.7 | 169.5 | 173.3 | 161.3 | 0 | 111.3 | M262 T263 E264 I269 L270 N271 | M262-K267 HydrophobicContact CB-CG 4.3Å; M262-K267 HydrophobicContact CE-CG 3.77Å; M262-K267 WeakPolarHBondContact O-CD 3.42Å; M262-K267 WeakPolarHBondContact O-CE 3.48Å; M262-K267 PolarHBondContact O-NZ 3.02Å; T263-K267 PolarHBondContact O-N 2.93Å; E264-K267 PolarHBondContact O-N 3.36Å; K267-I269 PolarHBondContact O-N 2.9Å; K267-L270 PolarHBondContact O-N 3.02Å; K267-N271 WeakPolarHBondContact O-CA 3.49Å; K267-N271 WeakPolarHBondContact O-CB 3.5Å; K267-N271 PolarHBondContact O-N 3.13Å; K267-N271 PolarHBondContact O-ND2 3.41Å |
| 268 | N | 87.6 | Confident | 83.4 | Confident | 87 Ų | 87 | 69.9 Ų | 69.9 | 47% | 0.465 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 178.1 | -75.9 | -35.7 | 0 | 0 | 0 | 112.8 | E264 P265 I266 N272 | E264-N268 WeakPolarHBondContact O-CB 3.45Å; E264-N268 VanDerWaalsContact O-CG 3.3Å; E264-N268 PolarHBondContact O-N 2.88Å; E264-N268 PolarHBondContact O-ND2 3.33Å; E264-N268 VanDerWaalsContact O-ND2 3.14Å; P265-N268 PolarHBondContact O-N 3.33Å; I266-N268 VanDerWaalsContact C-N 3.25Å; I266-N268 PolarHBondContact O-N 3.42Å; N268-N272 PolarHBondContact O-ND2 3.32Å |
| 269 | I | 86.8 | Confident | 83 | Confident | 64 Ų | 64 | 70.1 Ų | 70.1 | 33% | 0.328 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.2 | -46.1 | 175.7 | -64.9 | 164.1 | 0 | 0 | 0 | 110.5 | P265 I266 K267 N272 I276 L326 L329 | P265-I269 VanDerWaalsContact O-CG1 3.31Å; P265-I269 WeakPolarHBondContact O-CG1 3.21Å; P265-I269 PolarHBondContact O-N 2.74Å; I266-I269 PolarHBondContact O-N 3.47Å; I266-I269 VanDerWaalsContact O-N 3.14Å; K267-I269 PolarHBondContact O-N 2.9Å; I269-N272 WeakPolarHBondContact O-CB 3.23Å; I269-I276 HydrophobicContact CG2-CD1 4.48Å; I269-L326 HydrophobicContact CD1-CD1 3.83Å; I269-L329 HydrophobicContact CB-CD1 4.44Å; I269-L329 HydrophobicContact CD1-CB 4.4Å; I269-L329 HydrophobicContact CD1-CD1 4.47Å; I269-L329 HydrophobicContact CG2-CB 4.36Å; I269-L329 HydrophobicContact CG2-CD1 4.18Å; I269-L329 HydrophobicContact CG2-CD2 3.97Å; I269-L329 HydrophobicContact CG2-CG 4.41Å |
| 270 | L | 86.1 | Confident | 82.8 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -81.4 | -28.5 | -176.4 | -67.7 | -178.5 | 0 | 0 | 0 | 113.8 | L253 L257 M262 I266 K267 N272 T273 I276 L329 | L253-L270 HydrophobicContact CD2-CD2 4.07Å; L257-L270 HydrophobicContact CD1-CD1 3.85Å; L257-L270 HydrophobicContact CD2-CD1 4.14Å; M262-L270 HydrophobicContact CE-CD1 3.99Å; M262-L270 HydrophobicContact SD-CD1 3.76Å; I266-L270 HydrophobicContact CG2-CD1 3.71Å; I266-L270 HydrophobicContact CG2-CG 4.21Å; I266-L270 WeakPolarHBondContact O-CB 3.38Å; I266-L270 PolarHBondContact O-N 3.37Å; K267-L270 PolarHBondContact O-N 3.02Å; L270-N272 PolarHBondContact O-N 2.92Å; L270-T273 HydrophobicContact CB-CG2 4.4Å; L270-T273 WeakPolarHBondContact O-CA 3.46Å; L270-T273 WeakPolarHBondContact O-CB 3.42Å; L270-T273 WeakPolarHBondContact O-CG2 3.29Å; L270-T273 PolarHBondContact O-N 2.97Å; L270-T273 PolarHBondContact O-OG1 2.95Å; L270-I276 HydrophobicContact CD2-CD1 4.35Å; L270-L329 HydrophobicContact CD2-CD1 4.42Å; L270-L329 HydrophobicContact CD2-CD2 3.89Å; L270-L329 HydrophobicContact CG-CD1 4.29Å |
| 271 | N | 78.8 | Confident | 82.6 | Confident | 113 Ų | 113 | 58 Ų | 58 | 60% | 0.604 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -73.1 | -19.2 | 174.5 | -70.1 | -18.2 | 0 | 0 | 0 | 111.2 | K267 T273 | K267-N271 WeakPolarHBondContact O-CA 3.49Å; K267-N271 WeakPolarHBondContact O-CB 3.5Å; K267-N271 PolarHBondContact O-N 3.13Å; K267-N271 PolarHBondContact O-ND2 3.41Å; N271-T273 PolarHBondContact O-N 3.49Å; N271-T273 VanDerWaalsContact O-N 3.13Å |
| 272 | N | 68.9 | Low | 82.6 | Confident | 90 Ų | 90 | 60.2 Ų | 60.2 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -72.5 | 17.1 | 159.4 | -73.5 | -52.6 | 0 | 0 | 0 | 112.3 | N268 I269 L270 N274 T275 | N268-N272 PolarHBondContact O-ND2 3.32Å; I269-N272 WeakPolarHBondContact O-CB 3.23Å; L270-N272 PolarHBondContact O-N 2.92Å; N272-N274 VanDerWaalsContact C-N 3.26Å; N272-N274 PolarHBondContact O-N 3.43Å; N272-T275 WeakPolarHBondContact O-CA 3.41Å; N272-T275 VanDerWaalsContact O-CB 3.22Å; N272-T275 WeakPolarHBondContact O-CB 3.18Å; N272-T275 WeakPolarHBondContact O-CG2 3.45Å; N272-T275 PolarHBondContact O-N 3.49Å; N272-T275 PolarHBondContact O-OG1 3.35Å |
| 273 | T | 54.2 | Low | 82.7 | Confident | 55 Ų | 55 | 59 Ų | 59 | 34% | 0.337 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -60.1 | -27.9 | -179 | 35.3 | 0 | 0 | 0 | 0 | 113.4 | L270 N271 T275 I276 L281 | L270-T273 HydrophobicContact CB-CG2 4.4Å; L270-T273 WeakPolarHBondContact O-CA 3.46Å; L270-T273 WeakPolarHBondContact O-CB 3.42Å; L270-T273 WeakPolarHBondContact O-CG2 3.29Å; L270-T273 PolarHBondContact O-N 2.97Å; L270-T273 PolarHBondContact O-OG1 2.95Å; N271-T273 PolarHBondContact O-N 3.49Å; N271-T273 VanDerWaalsContact O-N 3.13Å; T273-T275 PolarHBondContact O-N 3.31Å; T273-I276 PolarHBondContact O-N 3.18Å; T273-L281 HydrophobicContact CG2-CD1 4.41Å; T273-L281 HydrophobicContact CG2-CD2 4.37Å |
| 274 | N | 55.4 | Low | 82.8 | Confident | 145 Ų | 145 | 56.8 Ų | 56.8 | 78% | 0.775 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -53.4 | -16.8 | 168.4 | -78.3 | -19.6 | 0 | 0 | 0 | 111.6 | N272 N367 | N272-N274 VanDerWaalsContact C-N 3.26Å; N272-N274 PolarHBondContact O-N 3.43Å; N274-N367 PolarHBondContact O-ND2 2.78Å |
| 275 | T | 64.6 | Low | 82.9 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 14% | 0.135 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -102.1 | -14.2 | 175.3 | 79.1 | 0 | 0 | 0 | 0 | 115.5 | N272 T273 N367 K368 | N272-T275 WeakPolarHBondContact O-CA 3.41Å; N272-T275 VanDerWaalsContact O-CB 3.22Å; N272-T275 WeakPolarHBondContact O-CB 3.18Å; N272-T275 WeakPolarHBondContact O-CG2 3.45Å; N272-T275 PolarHBondContact O-N 3.49Å; N272-T275 PolarHBondContact O-OG1 3.35Å; T273-T275 PolarHBondContact O-N 3.31Å; T275-N367 HydrophobicContact CG2-CB 4.06Å; T275-K368 HydrophobicContact CG2-CD 4.21Å; T275-K368 VanDerWaalsContact OG1-CE 3.31Å; T275-K368 WeakPolarHBondContact OG1-CE 3.35Å; T275-K368 PolarHBondContact OG1-NZ 3.28Å |
| 276 | I | 74.9 | Confident | 83.2 | Confident | 40 Ų | 40 | 48 Ų | 48 | 21% | 0.205 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -96.6 | 117.2 | 179.2 | -55.7 | 177.9 | 0 | 0 | 0 | 108.7 | I269 L270 T273 Q280 L281 | I269-I276 HydrophobicContact CG2-CD1 4.48Å; L270-I276 HydrophobicContact CD2-CD1 4.35Å; T273-I276 PolarHBondContact O-N 3.18Å; I276-Q280 HydrophobicContact CG2-CB 3.75Å; I276-L281 HydrophobicContact CB-CD2 4.22Å; I276-L281 HydrophobicContact CG2-CD2 3.66Å; I276-L281 HydrophobicContact CG2-CG 4.13Å |
| 277 | P | 78.8 | Confident | 83.5 | Confident | 25 Ų | 25 | 48 Ų | 48 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | trans | -60.5 | 143.4 | 177.8 | -23 | 33.7 | 0 | 0 | 0 | 112.3 | S279 Q280 L281 | P277-S279 PolarHBondContact O-N 2.83Å; P277-S279 VanDerWaalsContact O-N 3.07Å; P277-Q280 WeakPolarHBondContact O-CA 3.15Å; P277-Q280 WeakPolarHBondContact O-CB 3.27Å; P277-Q280 PolarHBondContact O-N 2.99Å; P277-L281 PolarHBondContact O-N 3.48Å | ||
| 278 | N | 83.2 | Confident | 83.9 | Confident | 129 Ų | 129 | 44.6 Ų | 44.6 | 69% | 0.69 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -51.2 | -36.5 | 177.2 | -71.6 | -1.5 | 0 | 0 | 0 | 113.1 | Q280 L281 L282 | N278-Q280 PolarHBondContact O-N 3.5Å; N278-L281 PolarHBondContact O-N 3.48Å; N278-L281 VanDerWaalsContact O-N 3.11Å; N278-L282 WeakPolarHBondContact O-CG 3.27Å; N278-L282 PolarHBondContact O-N 3.04Å |
| 279 | S | 86.6 | Confident | 84.3 | Confident | 47 Ų | 47 | 40.9 Ų | 40.9 | 33% | 0.329 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.9 | -31.1 | 176.4 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | P277 N283 | P277-S279 PolarHBondContact O-N 2.83Å; P277-S279 VanDerWaalsContact O-N 3.07Å; S279-N283 PolarHBondContact O-N 3.06Å; S279-N283 PolarHBondContact O-ND2 3.36Å; S279-N283 VanDerWaalsContact O-ND2 3.11Å |
| 280 | Q | 88.1 | Confident | 84.9 | Confident | 22 Ų | 22 | 37.8 Ų | 37.8 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -75.9 | -34.3 | 174.1 | -71 | -59.9 | -60.2 | 0 | 0 | 112.3 | I276 P277 N278 L282 N283 L284 W337 | I276-Q280 HydrophobicContact CG2-CB 3.75Å; P277-Q280 WeakPolarHBondContact O-CA 3.15Å; P277-Q280 WeakPolarHBondContact O-CB 3.27Å; P277-Q280 PolarHBondContact O-N 2.99Å; N278-Q280 PolarHBondContact O-N 3.5Å; Q280-L282 VanDerWaalsContact C-N 3.33Å; Q280-N283 PolarHBondContact NE2-ND2 3Å; Q280-N283 VanDerWaalsContact NE2-ND2 3.19Å; Q280-N283 PolarHBondContact O-N 3.4Å; Q280-L284 VanDerWaalsContact O-CB 3.29Å; Q280-L284 WeakPolarHBondContact O-CB 3.36Å; Q280-L284 PolarHBondContact O-N 2.96Å; Q280-W337 HydrophobicContact CG-CE3 4.19Å; Q280-W337 HydrophobicContact CG-CH2 4.07Å; Q280-W337 HydrophobicContact CG-CZ2 4.35Å; Q280-W337 HydrophobicContact CG-CZ3 3.98Å |
| 281 | L | 91.2 | Very high | 85.4 | Confident | 31 Ų | 31 | 37.6 Ų | 37.6 | 16% | 0.162 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.2 | -39.5 | 173.8 | -55.5 | 178.4 | 0 | 0 | 0 | 111.1 | L253 T273 I276 P277 N278 L284 A285 | L253-L281 HydrophobicContact CD2-CB 4.32Å; L253-L281 HydrophobicContact CD2-CD2 3.74Å; T273-L281 HydrophobicContact CG2-CD1 4.41Å; T273-L281 HydrophobicContact CG2-CD2 4.37Å; I276-L281 HydrophobicContact CB-CD2 4.22Å; I276-L281 HydrophobicContact CG2-CD2 3.66Å; I276-L281 HydrophobicContact CG2-CG 4.13Å; P277-L281 PolarHBondContact O-N 3.48Å; N278-L281 PolarHBondContact O-N 3.48Å; N278-L281 VanDerWaalsContact O-N 3.11Å; L281-L284 WeakPolarHBondContact O-CB 3.34Å; L281-L284 PolarHBondContact O-N 3.3Å; L281-A285 PolarHBondContact O-N 3.5Å |
| 282 | L | 94 | Very high | 86.3 | Confident | 52 Ų | 52 | 33.1 Ų | 33.1 | 27% | 0.272 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.2 | -46.5 | 172.3 | -69.1 | 174.2 | 0 | 0 | 0 | 111.9 | H226 N278 Q280 L284 A285 L286 | H226-L282 HydrophobicContact CB-CD2 3.91Å; N278-L282 WeakPolarHBondContact O-CG 3.27Å; N278-L282 PolarHBondContact O-N 3.04Å; Q280-L282 VanDerWaalsContact C-N 3.33Å; L282-L284 VanDerWaalsContact C-N 3.28Å; L282-L284 PolarHBondContact O-N 3.46Å; L282-A285 PolarHBondContact O-N 2.96Å; L282-L286 WeakPolarHBondContact O-CB 3.32Å; L282-L286 PolarHBondContact O-N 3.37Å |
| 283 | N | 95.6 | Very high | 87.5 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.8 | -37.4 | 176.2 | -69.3 | -23.3 | 0 | 0 | 0 | 112 | G74 V78 M81 S279 Q280 S287 | G74-N283 WeakPolarHBondContact CA-ND2 3.4Å; V78-N283 HydrophobicContact CG2-CB 3.61Å; M81-N283 HydrophobicContact SD-CB 4.29Å; S279-N283 PolarHBondContact O-N 3.06Å; S279-N283 PolarHBondContact O-ND2 3.36Å; S279-N283 VanDerWaalsContact O-ND2 3.11Å; Q280-N283 PolarHBondContact NE2-ND2 3Å; Q280-N283 VanDerWaalsContact NE2-ND2 3.19Å; Q280-N283 PolarHBondContact O-N 3.4Å; N283-S287 WeakPolarHBondContact O-CB 3.42Å; N283-S287 PolarHBondContact O-N 2.89Å; N283-S287 PolarHBondContact O-OG 2.91Å |
| 284 | L | 95.8 | Very high | 89.6 | Confident | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.8 | -51.4 | 177.2 | 178.8 | 62.1 | 0 | 0 | 0 | 111.2 | M81 L253 Q280 L281 L282 L286 S287 L288 L325 A328 L329 | M81-L284 HydrophobicContact SD-CB 4.28Å; M81-L284 HydrophobicContact SD-CD1 4.35Å; L253-L284 HydrophobicContact CD1-CD2 3.79Å; L253-L284 HydrophobicContact CD1-CG 4.06Å; L253-L284 HydrophobicContact CD2-CD2 3.81Å; L253-L284 HydrophobicContact CG-CD2 4.46Å; Q280-L284 VanDerWaalsContact O-CB 3.29Å; Q280-L284 WeakPolarHBondContact O-CB 3.36Å; Q280-L284 PolarHBondContact O-N 2.96Å; L281-L284 WeakPolarHBondContact O-CB 3.34Å; L281-L284 PolarHBondContact O-N 3.3Å; L282-L284 VanDerWaalsContact C-N 3.28Å; L282-L284 PolarHBondContact O-N 3.46Å; L284-L286 VanDerWaalsContact C-N 3.32Å; L284-L286 PolarHBondContact O-N 3.11Å; L284-S287 PolarHBondContact O-N 2.66Å; L284-L288 HydrophobicContact CD1-CD1 4.24Å; L284-L288 HydrophobicContact CD1-CG 4.46Å; L284-L288 HydrophobicContact CG-CD1 4.09Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.33Å; L284-L288 PolarHBondContact O-N 3.22Å; L284-L325 HydrophobicContact CD2-CD1 4.46Å; L284-A328 HydrophobicContact CD1-CB 3.34Å; L284-L329 HydrophobicContact CD2-CD2 3.52Å; L284-L329 HydrophobicContact CD2-CG 4.16Å |
| 285 | A | 96.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | P251 L253 L256 L281 L282 L288 T289 | P251-A285 VanDerWaalsContact O-CB 3.26Å; P251-A285 WeakPolarHBondContact O-CB 3.36Å; L253-A285 HydrophobicContact CB-CB 4.33Å; L256-A285 HydrophobicContact CD1-CB 3.93Å; L281-A285 PolarHBondContact O-N 3.5Å; L282-A285 PolarHBondContact O-N 2.96Å; A285-L288 PolarHBondContact O-N 3.02Å; A285-T289 WeakPolarHBondContact O-CB 3.29Å; A285-T289 PolarHBondContact O-N 3.5Å; A285-T289 PolarHBondContact O-OG1 2.95Å |
| 286 | L | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.9 | -46.7 | 174.2 | -177.5 | 57.5 | 0 | 0 | 0 | 111.5 | V78 V189 T191 V223 A250 L282 L284 L288 T289 T290 | V78-L286 HydrophobicContact CG1-CD2 4.45Å; V78-L286 HydrophobicContact CG1-CG 4.48Å; V78-L286 HydrophobicContact CG2-CD2 4.16Å; V189-L286 HydrophobicContact CG1-CD1 3.87Å; V189-L286 HydrophobicContact CG1-CD2 3.76Å; V189-L286 HydrophobicContact CG1-CG 3.83Å; T191-L286 HydrophobicContact CG2-CD2 3.93Å; V223-L286 HydrophobicContact CB-CD1 4.4Å; V223-L286 HydrophobicContact CG1-CD1 3.62Å; A250-L286 HydrophobicContact CB-CB 4.27Å; A250-L286 HydrophobicContact CB-CD1 3.77Å; L282-L286 WeakPolarHBondContact O-CB 3.32Å; L282-L286 PolarHBondContact O-N 3.37Å; L284-L286 VanDerWaalsContact C-N 3.32Å; L284-L286 PolarHBondContact O-N 3.11Å; L286-L288 PolarHBondContact O-N 3.41Å; L286-T289 PolarHBondContact O-N 3.29Å; L286-T290 WeakPolarHBondContact O-CB 3.45Å; L286-T290 PolarHBondContact O-N 3.19Å; L286-T290 PolarHBondContact O-OG1 2.88Å |
| 287 | S | 98.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.4 | -43.7 | -179.4 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | V78 M81 N283 L284 T289 T290 V291 | V78-S287 WeakPolarHBondContact CA-OG 3.31Å; V78-S287 PolarHBondContact O-OG 3.44Å; M81-S287 WeakPolarHBondContact CB-OG 3.32Å; N283-S287 WeakPolarHBondContact O-CB 3.42Å; N283-S287 PolarHBondContact O-N 2.89Å; N283-S287 PolarHBondContact O-OG 2.91Å; L284-S287 PolarHBondContact O-N 2.66Å; S287-T289 VanDerWaalsContact C-N 3.33Å; S287-T289 PolarHBondContact O-N 3.02Å; S287-T290 PolarHBondContact O-N 3.11Å; S287-V291 WeakPolarHBondContact O-CG2 3.34Å; S287-V291 PolarHBondContact O-N 2.91Å |
| 288 | L | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.3 | -45.1 | 175.8 | -69.9 | 164.6 | 0 | 0 | 0 | 111.2 | I85 L253 L256 L284 A285 L286 V291 N292 P320 V324 L325 A328 | I85-L288 HydrophobicContact CD1-CD2 4.25Å; L253-L288 HydrophobicContact CD1-CD1 4.22Å; L256-L288 HydrophobicContact CD1-CB 4.17Å; L256-L288 HydrophobicContact CD1-CD1 4.05Å; L284-L288 HydrophobicContact CD1-CD1 4.24Å; L284-L288 HydrophobicContact CD1-CG 4.46Å; L284-L288 HydrophobicContact CG-CD1 4.09Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.33Å; L284-L288 PolarHBondContact O-N 3.22Å; A285-L288 PolarHBondContact O-N 3.02Å; L286-L288 PolarHBondContact O-N 3.41Å; L288-V291 PolarHBondContact O-N 2.8Å; L288-N292 PolarHBondContact O-N 2.85Å; L288-P320 HydrophobicContact CD1-CG 4.35Å; L288-P320 HydrophobicContact CD2-CB 4.09Å; L288-P320 HydrophobicContact CD2-CG 4.47Å; L288-V324 HydrophobicContact CD2-CG1 3.67Å; L288-L325 HydrophobicContact CD1-CD1 3.8Å; L288-A328 HydrophobicContact CD2-CB 3.78Å; L288-A328 HydrophobicContact CG-CB 4.25Å |
| 289 | T | 96.9 | Very high | 94.4 | Very high | 8 Ų | 8 | 24.6 Ų | 24.6 | 5% | 0.049 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.6 | -44.6 | 179 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | V223 A250 P251 A285 L286 S287 V291 N292 Y293 | V223-T289 HydrophobicContact CG1-CG2 3.91Å; A250-T289 HydrophobicContact CB-CG2 4.33Å; P251-T289 WeakPolarHBondContact CD-OG1 3.37Å; A285-T289 WeakPolarHBondContact O-CB 3.29Å; A285-T289 PolarHBondContact O-N 3.5Å; A285-T289 PolarHBondContact O-OG1 2.95Å; L286-T289 PolarHBondContact O-N 3.29Å; S287-T289 VanDerWaalsContact C-N 3.33Å; S287-T289 PolarHBondContact O-N 3.02Å; T289-V291 PolarHBondContact O-N 3.49Å; T289-N292 PolarHBondContact O-N 3.2Å; T289-Y293 HydrophobicContact CG2-CD2 3.74Å; T289-Y293 HydrophobicContact CG2-CE2 3.51Å; T289-Y293 VanDerWaalsContact O-CD2 3.24Å; T289-Y293 WeakPolarHBondContact O-CD2 3.49Å; T289-Y293 PolarHBondContact O-N 2.79Å |
| 290 | T | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 175.6 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | I67 I82 V187 V189 L286 S287 N292 Y293 W294 | I67-T290 HydrophobicContact CD1-CG2 4.42Å; I67-T290 HydrophobicContact CG2-CG2 3.82Å; I82-T290 HydrophobicContact CD1-CG2 3.66Å; I82-T290 HydrophobicContact CG1-CG2 4.27Å; V187-T290 HydrophobicContact CB-CG2 4.34Å; V187-T290 HydrophobicContact CG1-CG2 3.97Å; V189-T290 HydrophobicContact CG2-CG2 3.59Å; V189-T290 WeakPolarHBondContact CG2-OG1 3.42Å; L286-T290 WeakPolarHBondContact O-CB 3.45Å; L286-T290 PolarHBondContact O-N 3.19Å; L286-T290 PolarHBondContact O-OG1 2.88Å; S287-T290 PolarHBondContact O-N 3.11Å; T290-N292 VanDerWaalsContact C-N 3.33Å; T290-N292 PolarHBondContact O-N 2.9Å; T290-Y293 PolarHBondContact O-N 2.93Å; T290-W294 WeakPolarHBondContact O-CB 3.31Å; T290-W294 PolarHBondContact O-N 3.3Å |
| 291 | V | 97.9 | Very high | 93 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 179.3 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | I82 I85 L86 S287 L288 T289 W294 L295 | I82-V291 HydrophobicContact CB-CG2 4.33Å; I82-V291 HydrophobicContact CG1-CG2 4.28Å; I82-V291 HydrophobicContact CG2-CG2 4.01Å; I85-V291 HydrophobicContact CB-CG2 4.15Å; I85-V291 HydrophobicContact CD1-CG2 3.95Å; I85-V291 HydrophobicContact CG2-CB 4.39Å; I85-V291 HydrophobicContact CG2-CG1 3.81Å; I85-V291 HydrophobicContact CG2-CG2 4.13Å; L86-V291 HydrophobicContact CD2-CG1 3.81Å; L86-V291 HydrophobicContact CD2-CG2 4.28Å; L86-V291 HydrophobicContact CG-CG2 4.16Å; S287-V291 WeakPolarHBondContact O-CG2 3.34Å; S287-V291 PolarHBondContact O-N 2.91Å; L288-V291 PolarHBondContact O-N 2.8Å; T289-V291 PolarHBondContact O-N 3.49Å; V291-W294 PolarHBondContact O-N 3.18Å; V291-L295 HydrophobicContact CG1-CD1 3.9Å; V291-L295 HydrophobicContact CG1-CG 4.33Å; V291-L295 WeakPolarHBondContact O-CG 3.31Å; V291-L295 PolarHBondContact O-N 2.84Å |
| 292 | N | 96.2 | Very high | 91.4 | Very high | 18 Ų | 18 | 27.6 Ų | 27.6 | 10% | 0.096 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.5 | -53 | 175.5 | -179.9 | 54.7 | 0 | 0 | 0 | 111.4 | L288 T289 T290 W294 L295 T296 W318 | L288-N292 PolarHBondContact O-N 2.85Å; T289-N292 PolarHBondContact O-N 3.2Å; T290-N292 VanDerWaalsContact C-N 3.33Å; T290-N292 PolarHBondContact O-N 2.9Å; N292-W294 VanDerWaalsContact C-N 3.3Å; N292-W294 PolarHBondContact O-N 2.56Å; N292-L295 PolarHBondContact O-N 3.29Å; N292-T296 PolarHBondContact O-N 2.99Å; N292-T296 PolarHBondContact O-OG1 3.25Å; N292-W318 HydrophobicContact CB-CD2 3.92Å; N292-W318 HydrophobicContact CB-CE3 3.81Å; N292-W318 HydrophobicContact CB-CH2 3.89Å; N292-W318 HydrophobicContact CB-CZ2 4.03Å; N292-W318 HydrophobicContact CB-CZ3 3.79Å; N292-W318 VanDerWaalsContact CG-CD2 3.41Å; N292-W318 VanDerWaalsContact OD1-CE2 3.25Å; N292-W318 PolarHBondContact OD1-NE1 3.28Å |
| 293 | Y | 95.7 | Very high | 89.4 | Confident | 16 Ų | 16 | 31 Ų | 31 | 6% | 0.063 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.5 | -34.3 | 179.3 | -77.4 | -62 | 0 | 0 | 0 | 113.3 | I221 V223 Y248 T289 T290 T296 K297 S316 | I221-Y293 HydrophobicContact CD1-CD1 3.86Å; I221-Y293 HydrophobicContact CD1-CG 4.22Å; I221-Y293 HydrophobicContact CG2-CD1 4.17Å; I221-Y293 HydrophobicContact CG2-CD2 4.44Å; I221-Y293 HydrophobicContact CG2-CG 3.98Å; V223-Y293 HydrophobicContact CG2-CD2 3.83Å; V223-Y293 HydrophobicContact CG2-CE2 4.45Å; Y248-Y293 HydrophobicContact CD1-CE1 4.2Å; Y248-Y293 HydrophobicContact CD1-CE2 4.22Å; Y248-Y293 AromaticContact CD1-CZ 3.54Å; Y248-Y293 WeakPolarHBondContact CD1-OH 3.26Å; Y248-Y293 AromaticContact CD2-CE1 3.97Å; Y248-Y293 HydrophobicContact CD2-CE1 3.97Å; Y248-Y293 HydrophobicContact CD2-CE2 4.1Å; Y248-Y293 AromaticContact CD2-CZ 3.77Å; Y248-Y293 AromaticContact CE1-CE1 3.95Å; Y248-Y293 HydrophobicContact CE1-CE1 3.95Å; Y248-Y293 AromaticContact CE1-CZ 3.74Å; Y248-Y293 WeakPolarHBondContact CE1-OH 3.36Å; Y248-Y293 HydrophobicContact CE2-CD1 4.29Å; Y248-Y293 AromaticContact CE2-CE1 3.71Å; Y248-Y293 HydrophobicContact CE2-CE1 3.71Å; Y248-Y293 AromaticContact CE2-CZ 3.95Å; Y248-Y293 HydrophobicContact CG-CE1 4.19Å; Y248-Y293 AromaticContact CG-CE2 3.84Å; Y248-Y293 HydrophobicContact CG-CE2 3.84Å; Y248-Y293 AromaticContact CG-CZ 3.54Å; Y248-Y293 AromaticContact CZ-CE1 3.72Å; Y248-Y293 AromaticContact CZ-CZ 3.95Å; T289-Y293 HydrophobicContact CG2-CD2 3.74Å; T289-Y293 HydrophobicContact CG2-CE2 3.51Å; T289-Y293 VanDerWaalsContact O-CD2 3.24Å; T289-Y293 WeakPolarHBondContact O-CD2 3.49Å; T289-Y293 PolarHBondContact O-N 2.79Å; T290-Y293 PolarHBondContact O-N 2.93Å; Y293-T296 PolarHBondContact O-N 3.03Å; Y293-K297 WeakPolarHBondContact O-CB 3.5Å; Y293-K297 PolarHBondContact O-N 3.4Å; Y293-S316 WeakPolarHBondContact OH-CB 3.26Å |
| 294 | W | 96.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.3 | -45.5 | 175.3 | -177.6 | 86.5 | 0 | 0 | 0 | 111.5 | H65 I67 L86 F91 V165 V187 T290 V291 N292 T296 K297 L298 | H65-W294 HydrophobicContact CB-CZ2 3.71Å; H65-W294 PolarHBondContact O-NE1 2.89Å; I67-W294 HydrophobicContact CD1-CB 4.11Å; I67-W294 HydrophobicContact CD1-CD2 4.29Å; I67-W294 HydrophobicContact CD1-CG 3.72Å; I67-W294 HydrophobicContact CG1-CB 4.47Å; I67-W294 HydrophobicContact CG1-CG 3.95Å; L86-W294 HydrophobicContact CD1-CD2 4.47Å; L86-W294 HydrophobicContact CD1-CE3 4.32Å; L86-W294 HydrophobicContact CD1-CZ3 4.48Å; L86-W294 HydrophobicContact CD2-CE3 3.63Å; L86-W294 HydrophobicContact CD2-CZ3 3.62Å; F91-W294 AromaticContact CD1-CH2 3.92Å; F91-W294 HydrophobicContact CD1-CH2 3.92Å; F91-W294 HydrophobicContact CD1-CZ3 4.33Å; F91-W294 HydrophobicContact CD2-CZ3 4.26Å; F91-W294 AromaticContact CE1-CH2 3.86Å; F91-W294 HydrophobicContact CE1-CH2 3.86Å; F91-W294 HydrophobicContact CE1-CZ3 4.03Å; F91-W294 HydrophobicContact CE2-CH2 4.5Å; F91-W294 AromaticContact CE2-CZ3 3.97Å; F91-W294 HydrophobicContact CE2-CZ3 3.97Å; F91-W294 HydrophobicContact CG-CH2 4.26Å; F91-W294 HydrophobicContact CG-CZ3 4.44Å; F91-W294 HydrophobicContact CZ-CH2 4.16Å; F91-W294 AromaticContact CZ-CZ3 3.84Å; F91-W294 HydrophobicContact CZ-CZ3 3.84Å; V165-W294 HydrophobicContact CB-CH2 4.02Å; V165-W294 HydrophobicContact CB-CZ2 3.53Å; V165-W294 HydrophobicContact CG2-CH2 4.36Å; V165-W294 HydrophobicContact CG2-CZ2 3.58Å; V187-W294 HydrophobicContact CG2-CB 3.76Å; V187-W294 HydrophobicContact CG2-CG 4.49Å; T290-W294 WeakPolarHBondContact O-CB 3.31Å; T290-W294 PolarHBondContact O-N 3.3Å; V291-W294 PolarHBondContact O-N 3.18Å; N292-W294 VanDerWaalsContact C-N 3.3Å; N292-W294 PolarHBondContact O-N 2.56Å; W294-T296 VanDerWaalsContact C-N 3.35Å; W294-T296 PolarHBondContact O-N 3.05Å; W294-K297 PolarHBondContact O-N 3.43Å; W294-L298 HydrophobicContact CH2-CD1 4.44Å; W294-L298 HydrophobicContact CH2-CD2 3.61Å; W294-L298 HydrophobicContact CH2-CG 4.47Å; W294-L298 HydrophobicContact CZ2-CD1 4.33Å; W294-L298 HydrophobicContact CZ2-CD2 4.28Å; W294-L298 HydrophobicContact CZ3-CD2 3.75Å; W294-L298 WeakPolarHBondContact O-CB 3.18Å; W294-L298 PolarHBondContact O-N 3.34Å |
| 295 | L | 95.1 | Very high | 84.4 | Confident | 44 Ų | 44 | 38.9 Ų | 38.9 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 175.4 | -73.1 | 169.1 | 0 | 0 | 0 | 111.8 | F91 V291 N292 K297 L298 H299 | F91-L295 HydrophobicContact CE2-CD2 3.86Å; F91-L295 HydrophobicContact CZ-CD2 3.9Å; V291-L295 HydrophobicContact CG1-CD1 3.9Å; V291-L295 HydrophobicContact CG1-CG 4.33Å; V291-L295 WeakPolarHBondContact O-CG 3.31Å; V291-L295 PolarHBondContact O-N 2.84Å; N292-L295 PolarHBondContact O-N 3.29Å; L295-K297 VanDerWaalsContact C-N 3.33Å; L295-K297 PolarHBondContact O-N 3.3Å; L295-L298 PolarHBondContact O-N 3.04Å; L295-H299 PolarHBondContact O-N 3.26Å; L295-H299 PolarHBondContact O-ND1 2.94Å |
| 296 | T | 91 | Very high | 81.8 | Confident | 33 Ų | 33 | 41.7 Ų | 41.7 | 20% | 0.202 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 176.9 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | N292 Y293 W294 G300 T301 T302 | N292-T296 PolarHBondContact O-N 2.99Å; N292-T296 PolarHBondContact O-OG1 3.25Å; Y293-T296 PolarHBondContact O-N 3.03Å; W294-T296 VanDerWaalsContact C-N 3.35Å; W294-T296 PolarHBondContact O-N 3.05Å; T296-G300 PolarHBondContact O-N 3Å; T296-T301 WeakPolarHBondContact CA-OG1 3.48Å; T296-T301 WeakPolarHBondContact CG2-OG1 3.44Å; T296-T301 PolarHBondContact O-N 3.02Å; T296-T301 PolarHBondContact O-OG1 3.36Å; T296-T302 HydrophobicContact CG2-CG2 3.52Å; T296-T302 PolarHBondContact O-N 3.17Å |
| 297 | K | 91.3 | Very high | 79.4 | Confident | 59 Ų | 59 | 47.8 Ų | 47.8 | 26% | 0.257 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.5 | -40.8 | 176.6 | -167.3 | 68.5 | -175.8 | 171.6 | 0 | 112 | C186 G219 I221 Y293 W294 L295 H299 G300 T302 D304 | C186-K297 HydrophobicContact CB-CB 4.44Å; C186-K297 HydrophobicContact CB-CG 4.15Å; G219-K297 WeakPolarHBondContact O-CE 3.32Å; G219-K297 PolarHBondContact O-NZ 3.19Å; I221-K297 HydrophobicContact CD1-CB 4.32Å; I221-K297 HydrophobicContact CD1-CD 4.48Å; Y293-K297 WeakPolarHBondContact O-CB 3.5Å; Y293-K297 PolarHBondContact O-N 3.4Å; W294-K297 PolarHBondContact O-N 3.43Å; L295-K297 VanDerWaalsContact C-N 3.33Å; L295-K297 PolarHBondContact O-N 3.3Å; K297-H299 PolarHBondContact O-N 3Å; K297-G300 PolarHBondContact O-N 3.36Å; K297-T302 HydrophobicContact CD-CG2 4.47Å; K297-D304 IonicContact NZ-OD1 3.69Å; K297-D304 PolarHBondContact NZ-OD1 2.75Å |
| 298 | L | 92 | Very high | 77.3 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 178.4 | -176 | 73.4 | 0 | 0 | 0 | 111.9 | H65 F91 W294 L295 G300 | H65-L298 HydrophobicContact CB-CD1 4.36Å; H65-L298 VanDerWaalsContact CD2-CD1 3.44Å; H65-L298 WeakPolarHBondContact CD2-CD1 3.49Å; F91-L298 HydrophobicContact CE1-CD2 3.73Å; F91-L298 HydrophobicContact CZ-CD2 3.96Å; W294-L298 HydrophobicContact CH2-CD1 4.44Å; W294-L298 HydrophobicContact CH2-CD2 3.61Å; W294-L298 HydrophobicContact CH2-CG 4.47Å; W294-L298 HydrophobicContact CZ2-CD1 4.33Å; W294-L298 HydrophobicContact CZ2-CD2 4.28Å; W294-L298 HydrophobicContact CZ3-CD2 3.75Å; W294-L298 WeakPolarHBondContact O-CB 3.18Å; W294-L298 PolarHBondContact O-N 3.34Å; L295-L298 PolarHBondContact O-N 3.04Å; L298-G300 VanDerWaalsContact C-N 3.3Å; L298-G300 PolarHBondContact O-N 3.5Å |
| 299 | H | 88.6 | Confident | 76.1 | Confident | 125 Ų | 125 | 59 Ų | 59 | 58% | 0.579 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -0.2 | -177.7 | -61.5 | 161.9 | 0 | 0 | 0 | 113.9 | L295 K297 T301 | L295-H299 PolarHBondContact O-N 3.26Å; L295-H299 PolarHBondContact O-ND1 2.94Å; K297-H299 PolarHBondContact O-N 3Å; H299-T301 HydrophobicContact CB-CG2 3.96Å; H299-T301 PolarHBondContact O-N 2.88Å |
| 300 | G | 81.8 | Confident | 75.5 | Confident | 39 Ų | 39 | 61.6 Ų | 61.6 | 40% | 0.402 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 25.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T296 K297 L298 T302 | T296-G300 PolarHBondContact O-N 3Å; K297-G300 PolarHBondContact O-N 3.36Å; L298-G300 VanDerWaalsContact C-N 3.3Å; L298-G300 PolarHBondContact O-N 3.5Å; G300-T302 VanDerWaalsContact C-N 3.35Å |
| 301 | T | 64.7 | Low | 75.2 | Confident | 95 Ų | 95 | 61.6 Ų | 61.6 | 58% | 0.583 | 35% | 0.349 | S | S | * | . | trans | -91.6 | -2.4 | 177.5 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | T296 H299 D303 | T296-T301 WeakPolarHBondContact CA-OG1 3.48Å; T296-T301 WeakPolarHBondContact CG2-OG1 3.44Å; T296-T301 PolarHBondContact O-N 3.02Å; T296-T301 PolarHBondContact O-OG1 3.36Å; H299-T301 HydrophobicContact CB-CG2 3.96Å; H299-T301 PolarHBondContact O-N 2.88Å; T301-D303 PolarHBondContact O-N 3.36Å | ||
| 302 | T | 57.7 | Low | 74.9 | Confident | 30 Ų | 30 | 65.7 Ų | 65.7 | 18% | 0.184 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -62.9 | 133.6 | 154 | 41 | 0 | 0 | 0 | 0 | 105.8 | I221 T296 K297 G300 D304 | I221-T302 HydrophobicContact CD1-CG2 3.98Å; T296-T302 HydrophobicContact CG2-CG2 3.52Å; T296-T302 PolarHBondContact O-N 3.17Å; K297-T302 HydrophobicContact CD-CG2 4.47Å; G300-T302 VanDerWaalsContact C-N 3.35Å; T302-D304 PolarHBondContact O-N 3.16Å; T302-D304 PolarHBondContact OG1-OD1 2.94Å |
| 303 | D | 51.4 | Low | 74.7 | Confident | 123 Ų | 123 | 66.1 Ų | 66.1 | 66% | 0.658 | 37% | 0.372 | S | S | * | . | trans | -56 | 84 | 168 | -96.8 | -27.6 | 0 | 0 | 0 | 107.8 | T301 G305 N306 | T301-D303 PolarHBondContact O-N 3.36Å; D303-G305 PolarHBondContact O-N 3.21Å; D303-G305 VanDerWaalsContact O-N 3.1Å; D303-N306 HydrophobicContact CB-CB 4.23Å; D303-N306 PolarHBondContact O-N 3.35Å | ||
| 304 | D | 43.5 | Very low | 74.2 | Confident | 98 Ų | 98 | 70.3 Ų | 70.3 | 52% | 0.524 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -7.7 | -178.1 | -79.9 | -22.9 | 0 | 0 | 0 | 109.8 | K297 T302 N306 | K297-D304 IonicContact NZ-OD1 3.69Å; K297-D304 PolarHBondContact NZ-OD1 2.75Å; T302-D304 PolarHBondContact O-N 3.16Å; T302-D304 PolarHBondContact OG1-OD1 2.94Å; D304-N306 VanDerWaalsContact C-N 3.34Å |
| 305 | G | 42.9 | Very low | 73.4 | Confident | 74 Ų | 74 | 73.8 Ų | 73.8 | 76% | 0.763 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -11.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D303 | D303-G305 PolarHBondContact O-N 3.21Å; D303-G305 VanDerWaalsContact O-N 3.1Å |
| 306 | N | 42.7 | Very low | 72.6 | Confident | 61 Ų | 61 | 74 Ų | 74 | 33% | 0.326 | 43% | 0.427 | S | S | . | . | trans | -103 | 82.3 | 178 | -88.3 | -31.7 | 0 | 0 | 0 | 111.8 | D303 D304 K308 N309 | D303-N306 HydrophobicContact CB-CB 4.23Å; D303-N306 PolarHBondContact O-N 3.35Å; D304-N306 VanDerWaalsContact C-N 3.34Å; N306-K308 HydrophobicContact CB-CB 4.2Å; N306-K308 PolarHBondContact O-N 3.35Å; N306-K308 WeakPolarHBondContact OD1-CD 3.43Å; N306-N309 PolarHBondContact O-N 2.91Å | ||
| 307 | V | 47.4 | Very low | 72.2 | Confident | 127 Ų | 127 | 79.4 Ų | 79.4 | 77% | 0.77 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -0.5 | 144.3 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | I310 | V307-I310 WeakPolarHBondContact O-CD1 3.49Š|
| 308 | K | 54.3 | Low | 72.3 | Confident | 171 Ų | 171 | 80.2 Ų | 80.2 | 74% | 0.743 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -20.6 | -178.1 | -64.4 | -170.4 | 179.5 | 178.5 | 0 | 115.7 | N306 I310 | N306-K308 HydrophobicContact CB-CB 4.2Å; N306-K308 PolarHBondContact O-N 3.35Å; N306-K308 WeakPolarHBondContact OD1-CD 3.43Å; K308-I310 VanDerWaalsContact C-N 3.31Å; K308-I310 PolarHBondContact O-N 3.46Å |
| 309 | N | 73.4 | Confident | 72.4 | Confident | 64 Ų | 64 | 81.3 Ų | 81.3 | 34% | 0.342 | 46% | 0.459 | S | S | . | . | trans | -86.7 | 76.4 | -177.6 | -68 | -11 | 0 | 0 | 0 | 109.7 | P246 N306 | P246-N309 WeakPolarHBondContact CA-O 3.48Å; P246-N309 HydrophobicContact CB-CB 4.4Å; P246-N309 WeakPolarHBondContact CB-O 3.18Å; P246-N309 VanDerWaalsContact CD-O 3.32Å; P246-N309 WeakPolarHBondContact CD-O 3.35Å; N306-N309 PolarHBondContact O-N 2.91Å | ||
| 310 | I | 84.3 | Confident | 72.7 | Confident | 63 Ų | 63 | 75.5 Ų | 75.5 | 32% | 0.323 | 43% | 0.433 | S | S | . | . | trans | -110 | 144.7 | 177.7 | -64.8 | 166.2 | 0 | 0 | 0 | 109.1 | N244 V307 K308 Q313 | N244-I310 HydrophobicContact CB-CD1 3.95Å; N244-I310 HydrophobicContact CB-CG1 4.2Å; V307-I310 WeakPolarHBondContact O-CD1 3.49Å; K308-I310 VanDerWaalsContact C-N 3.31Å; K308-I310 PolarHBondContact O-N 3.46Å; I310-Q313 PolarHBondContact O-NE2 3.33Å | ||
| 311 | G | 90.2 | Very high | 73.4 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.01 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.8 | -159.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C245 L247 Q313 | C245-G311 PolarHBondContact O-N 3.03Å; L247-G311 PolarHBondContact N-O 3.43Å; G311-Q313 WeakPolarHBondContact O-CG 3.48Å; G311-Q313 PolarHBondContact O-N 3.49Å; G311-Q313 PolarHBondContact O-NE2 3.36Å |
| 312 | L | 91.9 | Very high | 75 | Confident | 88 Ų | 88 | 73.9 Ų | 73.9 | 46% | 0.461 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 124.4 | -175.6 | -174.4 | 63.8 | 0 | 0 | 0 | 111.8 | M233 I237 L247 V249 | M233-L312 HydrophobicContact CE-CD1 4.3Å; I237-L312 HydrophobicContact CD1-CB 4.48Å; I237-L312 HydrophobicContact CD1-CD2 4.12Å; I237-L312 HydrophobicContact CG1-CB 4.21Å; L247-L312 HydrophobicContact CD2-CD1 4.4Å; L247-L312 HydrophobicContact CG-CD1 4.36Å; L247-L312 CarbonylContact O-C 3.6Å; L247-L312 WeakPolarHBondContact O-CA 3.39Å; V249-L312 HydrophobicContact CG2-CD1 4.05Å |
| 313 | Q | 92 | Very high | 76.8 | Confident | 28 Ų | 28 | 76.6 Ų | 76.6 | 13% | 0.131 | 44% | 0.436 | C | S | . | . | trans | -107.1 | 154 | -179.5 | -60.3 | -53.2 | -62 | 0 | 0 | 111.5 | P246 L247 Y248 I310 G311 | P246-Q313 HydrophobicContact CB-CG 3.69Å; L247-Q313 PolarHBondContact O-N 2.68Å; Y248-Q313 HydrophobicContact CD1-CB 3.51Å; Y248-Q313 HydrophobicContact CD1-CG 4.38Å; Y248-Q313 HydrophobicContact CE1-CB 3.16Å; Y248-Q313 HydrophobicContact CE1-CG 3.85Å; Y248-Q313 HydrophobicContact CE2-CB 4.25Å; Y248-Q313 HydrophobicContact CE2-CG 4.11Å; Y248-Q313 HydrophobicContact CG-CB 4.2Å; I310-Q313 PolarHBondContact O-NE2 3.33Å; G311-Q313 WeakPolarHBondContact O-CG 3.48Å; G311-Q313 PolarHBondContact O-N 3.49Å; G311-Q313 PolarHBondContact O-NE2 3.36Å | ||
| 314 | P | 85.7 | Confident | 79 | Confident | 104 Ų | 104 | 71.9 Ų | 71.9 | 68% | 0.675 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 147.6 | 170.9 | 27.1 | -34.4 | 0 | 0 | 0 | 110.8 | Y248 | Y248-P314 WeakPolarHBondContact CD1-O 3.29Å; Y248-P314 WeakPolarHBondContact CE1-O 3.49Å |
| 315 | T | 79.2 | Confident | 81.5 | Confident | 72 Ų | 72 | 67.2 Ų | 67.2 | 44% | 0.442 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 135.6 | 176.4 | -51.2 | 0 | 0 | 0 | 0 | 109.5 | P251 | P251-T315 HydrophobicContact CB-CG2 4Å; P251-T315 HydrophobicContact CG-CG2 4.15Å |
| 316 | S | 78.4 | Confident | 84 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 34% | 0.336 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 140.8 | 176.2 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | Y293 W318 | Y293-S316 WeakPolarHBondContact OH-CB 3.26Å; S316-W318 PolarHBondContact O-N 3.17Å; S316-W318 VanDerWaalsContact OG-CB 3.32Å; S316-W318 WeakPolarHBondContact OG-CB 3.43Å; S316-W318 PolarHBondContact OG-N 3.07Å; S316-W318 VanDerWaalsContact OG-N 3.17Å |
| 317 | D | 83.9 | Confident | 86.6 | Confident | 147 Ų | 147 | 64.9 Ų | 64.9 | 79% | 0.786 | 36% | 0.356 | S | S | * | . | trans | -75.3 | -1.5 | 171.6 | -71.3 | -34.8 | 0 | 0 | 0 | 113.6 | K319 | D317-K319 WeakPolarHBondContact O-CE 3.37Š| ||
| 318 | W | 92.4 | Very high | 88.9 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 29% | 0.292 | 32% | 0.32 | S | S | . | . | trans | -56.1 | 142.4 | -179.8 | 177.4 | 88.2 | 0 | 0 | 0 | 112.6 | N292 S316 P320 | N292-W318 HydrophobicContact CB-CD2 3.92Å; N292-W318 HydrophobicContact CB-CE3 3.81Å; N292-W318 HydrophobicContact CB-CH2 3.89Å; N292-W318 HydrophobicContact CB-CZ2 4.03Å; N292-W318 HydrophobicContact CB-CZ3 3.79Å; N292-W318 VanDerWaalsContact CG-CD2 3.41Å; N292-W318 VanDerWaalsContact OD1-CE2 3.25Å; N292-W318 PolarHBondContact OD1-NE1 3.28Å; S316-W318 PolarHBondContact O-N 3.17Å; S316-W318 VanDerWaalsContact OG-CB 3.32Å; S316-W318 WeakPolarHBondContact OG-CB 3.43Å; S316-W318 PolarHBondContact OG-N 3.07Å; S316-W318 VanDerWaalsContact OG-N 3.17Å; W318-P320 VanDerWaalsContact CH2-CA 3.45Å; W318-P320 HydrophobicContact CH2-CB 3.54Å; W318-P320 HydrophobicContact CH2-CG 4.43Å; W318-P320 HydrophobicContact CZ2-CB 4.16Å; W318-P320 HydrophobicContact CZ3-CB 3.95Å; W318-P320 HydrophobicContact CZ3-CG 4.36Å | ||
| 319 | K | 94.3 | Very high | 90.7 | Very high | 72 Ų | 72 | 52.4 Ų | 52.4 | 31% | 0.313 | 29% | 0.293 | S | S | . | . | trans | -124.6 | 137.3 | 175.3 | -53.3 | -62.8 | 170.7 | -147.2 | 0 | 109.9 | S255 T258 D317 | S255-K319 WeakPolarHBondContact O-CD 3.24Å; S255-K319 VanDerWaalsContact O-CE 3.26Å; S255-K319 WeakPolarHBondContact O-CE 3.42Å; S255-K319 PolarHBondContact O-NZ 3.08Å; T258-K319 HydrophobicContact CG2-CB 4.12Å; T258-K319 HydrophobicContact CG2-CD 3.98Å; T258-K319 HydrophobicContact CG2-CG 3.71Å; D317-K319 WeakPolarHBondContact O-CE 3.37Å | ||
| 320 | P | 95.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.019 | 30% | 0.295 | C | S | . | . | trans | -68.7 | 146.5 | 176.4 | 29.4 | -35.1 | 0 | 0 | 0 | 111 | L256 N261 L288 W318 V324 | L256-P320 HydrophobicContact CB-CG 4.42Å; L256-P320 WeakPolarHBondContact O-CD 3.12Å; N261-P320 VanDerWaalsContact CB-O 3.26Å; N261-P320 WeakPolarHBondContact CB-O 3.47Å; N261-P320 PolarHBondContact ND2-O 2.88Å; L288-P320 HydrophobicContact CD1-CG 4.35Å; L288-P320 HydrophobicContact CD2-CB 4.09Å; L288-P320 HydrophobicContact CD2-CG 4.47Å; W318-P320 VanDerWaalsContact CH2-CA 3.45Å; W318-P320 HydrophobicContact CH2-CB 3.54Å; W318-P320 HydrophobicContact CH2-CG 4.43Å; W318-P320 HydrophobicContact CZ2-CB 4.16Å; W318-P320 HydrophobicContact CZ3-CB 3.95Å; W318-P320 HydrophobicContact CZ3-CG 4.36Å; P320-V324 HydrophobicContact CB-CB 4.31Å; P320-V324 HydrophobicContact CB-CG1 4.09Å | ||
| 321 | S | 96.5 | Very high | 92.1 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 43% | 0.427 | 29% | 0.29 | S | S | . | . | trans | -65 | 158.3 | 164.6 | 70.8 | 0 | 0 | 0 | 0 | 110.6 | T323 V324 L325 | S321-T323 PolarHBondContact O-N 2.98Å; S321-V324 PolarHBondContact O-N 2.75Å; S321-V324 WeakPolarHBondContact OG-CG2 2.9Å; S321-V324 PolarHBondContact OG-N 3.45Å; S321-L325 WeakPolarHBondContact O-CB 3.46Å; S321-L325 PolarHBondContact O-N 3.09Å | ||
| 322 | S | 96.6 | Very high | 92.1 | Very high | 40 Ų | 40 | 60.7 Ų | 60.7 | 28% | 0.28 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56 | -37.6 | 174 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | N261 I266 L325 L326 | N261-S322 WeakPolarHBondContact O-CB 3.49Å; I266-S322 WeakPolarHBondContact CD1-O 3.26Å; S322-L325 PolarHBondContact O-N 3.24Å; S322-L326 VanDerWaalsContact O-CB 3.29Å; S322-L326 WeakPolarHBondContact O-CB 3.09Å; S322-L326 PolarHBondContact O-N 2.98Å |
| 323 | T | 96.7 | Very high | 92.1 | Very high | 86 Ų | 86 | 58.7 Ų | 58.7 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 176 | -52.8 | 0 | 0 | 0 | 0 | 112.1 | S321 L325 L326 N327 | S321-T323 PolarHBondContact O-N 2.98Å; T323-L325 VanDerWaalsContact C-N 3.34Å; T323-L325 PolarHBondContact O-N 3.25Å; T323-L326 PolarHBondContact O-N 3.17Å; T323-N327 WeakPolarHBondContact O-CB 3.44Å; T323-N327 PolarHBondContact O-N 3.47Å; T323-N327 PolarHBondContact O-ND2 3.26Å |
| 324 | V | 97 | Very high | 92.1 | Very high | 24 Ų | 24 | 59.8 Ų | 59.8 | 15% | 0.145 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 179.2 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | 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 2.75Å; S321-V324 WeakPolarHBondContact OG-CG2 2.9Å; S321-V324 PolarHBondContact OG-N 3.45Å; V324-N327 PolarHBondContact O-N 2.94Å; V324-A328 WeakPolarHBondContact O-CB 3.42Å; V324-A328 PolarHBondContact O-N 3.43Å |
| 325 | L | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 177.4 | -176.7 | 55.4 | 0 | 0 | 0 | 112.1 | L253 L257 I266 L284 L288 S321 S322 T323 A328 L329 | L253-L325 HydrophobicContact CD1-CD1 4.43Å; L257-L325 HydrophobicContact CD2-CD1 4.42Å; L257-L325 HydrophobicContact CD2-CD2 3.46Å; L257-L325 VanDerWaalsContact CD2-CD2 3.46Å; I266-L325 HydrophobicContact CD1-CB 4.01Å; I266-L325 HydrophobicContact CD1-CD2 3.95Å; I266-L325 HydrophobicContact CD1-CG 3.97Å; I266-L325 HydrophobicContact CG2-CD2 3.76Å; I266-L325 HydrophobicContact CG2-CG 4.21Å; L284-L325 HydrophobicContact CD2-CD1 4.46Å; L288-L325 HydrophobicContact CD1-CD1 3.8Å; S321-L325 WeakPolarHBondContact O-CB 3.46Å; S321-L325 PolarHBondContact O-N 3.09Å; S322-L325 PolarHBondContact O-N 3.24Å; T323-L325 VanDerWaalsContact C-N 3.34Å; T323-L325 PolarHBondContact O-N 3.25Å; L325-A328 PolarHBondContact O-N 2.83Å; L325-L329 HydrophobicContact CD1-CD1 4.35Å; L325-L329 HydrophobicContact CG-CD1 4.2Å; L325-L329 WeakPolarHBondContact O-CB 3.3Å; L325-L329 WeakPolarHBondContact O-CG 3.5Å; L325-L329 PolarHBondContact O-N 3.07Å |
| 326 | L | 95.3 | Very high | 92.8 | Very high | 64 Ų | 64 | 55.4 Ų | 55.4 | 34% | 0.335 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 176.5 | -171.4 | 66.3 | 0 | 0 | 0 | 112 | I266 I269 S322 T323 A328 L329 S330 | I266-L326 HydrophobicContact CD1-CB 4.35Å; I266-L326 HydrophobicContact CG1-CB 4.37Å; I266-L326 HydrophobicContact CG1-CD1 4.18Å; I269-L326 HydrophobicContact CD1-CD1 3.83Å; S322-L326 VanDerWaalsContact O-CB 3.29Å; S322-L326 WeakPolarHBondContact O-CB 3.09Å; S322-L326 PolarHBondContact O-N 2.98Å; T323-L326 PolarHBondContact O-N 3.17Å; L326-A328 VanDerWaalsContact C-N 3.32Å; L326-A328 PolarHBondContact O-N 2.86Å; L326-L329 PolarHBondContact O-N 3.35Å; L326-S330 WeakPolarHBondContact O-CB 3.49Å; L326-S330 PolarHBondContact O-N 3.39Å; L326-S330 PolarHBondContact O-OG 3.34Å; L326-S330 VanDerWaalsContact O-OG 3.13Å |
| 327 | N | 96.6 | Very high | 93.2 | Very high | 22 Ų | 22 | 55.7 Ų | 55.7 | 12% | 0.118 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 174.2 | -70.2 | -15.6 | 0 | 0 | 0 | 110.6 | N84 I85 Q88 T323 V324 L329 S330 | N84-N327 PolarHBondContact ND2-O 3Å; I85-N327 HydrophobicContact CG1-CB 4.37Å; Q88-N327 HydrophobicContact CB-CB 4.21Å; Q88-N327 VanDerWaalsContact CB-ND2 3.27Å; Q88-N327 WeakPolarHBondContact CB-ND2 3.29Å; Q88-N327 HydrophobicContact CG-CB 4.44Å; T323-N327 WeakPolarHBondContact O-CB 3.44Å; T323-N327 PolarHBondContact O-N 3.47Å; T323-N327 PolarHBondContact O-ND2 3.26Å; V324-N327 PolarHBondContact O-N 2.94Å; N327-L329 PolarHBondContact O-N 2.84Å; N327-S330 PolarHBondContact O-N 3.37Å; N327-S330 PolarHBondContact O-OG 3.44Å |
| 328 | A | 96 | Very high | 93.5 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I85 L284 L288 V324 L325 L326 S330 A331 | I85-A328 HydrophobicContact CD1-CB 3.57Å; I85-A328 HydrophobicContact CG1-CB 3.71Å; L284-A328 HydrophobicContact CD1-CB 3.34Å; L288-A328 HydrophobicContact CD2-CB 3.78Å; L288-A328 HydrophobicContact CG-CB 4.25Å; V324-A328 WeakPolarHBondContact O-CB 3.42Å; V324-A328 PolarHBondContact O-N 3.43Å; L325-A328 PolarHBondContact O-N 2.83Å; L326-A328 VanDerWaalsContact C-N 3.32Å; L326-A328 PolarHBondContact O-N 2.86Å; A328-S330 VanDerWaalsContact C-N 3.33Å; A328-S330 PolarHBondContact O-N 3.11Å; A328-A331 WeakPolarHBondContact O-CB 3.24Å; A328-A331 PolarHBondContact O-N 2.93Å |
| 329 | L | 92.8 | Very high | 93.4 | Very high | 35 Ų | 35 | 51.6 Ų | 51.6 | 18% | 0.183 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.9 | -26.3 | 179.5 | -74.1 | 169.3 | 0 | 0 | 0 | 114.3 | I266 I269 L270 L284 L325 L326 N327 A331 | I266-L329 HydrophobicContact CG1-CD1 4.28Å; I266-L329 HydrophobicContact CG2-CD1 4.05Å; I269-L329 HydrophobicContact CB-CD1 4.44Å; I269-L329 HydrophobicContact CD1-CB 4.4Å; I269-L329 HydrophobicContact CD1-CD1 4.47Å; I269-L329 HydrophobicContact CG2-CB 4.36Å; I269-L329 HydrophobicContact CG2-CD1 4.18Å; I269-L329 HydrophobicContact CG2-CD2 3.97Å; I269-L329 HydrophobicContact CG2-CG 4.41Å; L270-L329 HydrophobicContact CD2-CD1 4.42Å; L270-L329 HydrophobicContact CD2-CD2 3.89Å; L270-L329 HydrophobicContact CG-CD1 4.29Å; L284-L329 HydrophobicContact CD2-CD2 3.52Å; L284-L329 HydrophobicContact CD2-CG 4.16Å; L325-L329 HydrophobicContact CD1-CD1 4.35Å; L325-L329 HydrophobicContact CG-CD1 4.2Å; L325-L329 WeakPolarHBondContact O-CB 3.3Å; L325-L329 WeakPolarHBondContact O-CG 3.5Å; L325-L329 PolarHBondContact O-N 3.07Å; L326-L329 PolarHBondContact O-N 3.35Å; N327-L329 PolarHBondContact O-N 2.84Å; L329-A331 VanDerWaalsContact C-N 3.3Å |
| 330 | S | 92.6 | Very high | 93.3 | Very high | 56 Ų | 56 | 49.9 Ų | 49.9 | 39% | 0.392 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -4.9 | 179.6 | 65.7 | 0 | 0 | 0 | 0 | 113.8 | N84 L326 N327 A328 | N84-S330 PolarHBondContact ND2-OG 3.05Å; L326-S330 WeakPolarHBondContact O-CB 3.49Å; L326-S330 PolarHBondContact O-N 3.39Å; L326-S330 PolarHBondContact O-OG 3.34Å; L326-S330 VanDerWaalsContact O-OG 3.13Å; N327-S330 PolarHBondContact O-N 3.37Å; N327-S330 PolarHBondContact O-OG 3.44Å; A328-S330 VanDerWaalsContact C-N 3.33Å; A328-S330 PolarHBondContact O-N 3.11Å |
| 331 | A | 94.1 | Very high | 93.1 | Very high | 25 Ų | 25 | 54.2 Ų | 54.2 | 21% | 0.207 | 29% | 0.286 | C | S | . | . | trans | -58.5 | 139.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | M81 N84 A328 L329 | M81-A331 HydrophobicContact CB-CB 4.36Å; M81-A331 HydrophobicContact CG-CB 3.87Å; N84-A331 HydrophobicContact CB-CB 3.91Å; N84-A331 PolarHBondContact ND2-N 3.19Å; A328-A331 WeakPolarHBondContact O-CB 3.24Å; A328-A331 PolarHBondContact O-N 2.93Å; L329-A331 VanDerWaalsContact C-N 3.3Å | ||
| 332 | R | 90.9 | Very high | 92.9 | Very high | 221 Ų | 221 | 59.5 Ų | 59.5 | 83% | 0.834 | 30% | 0.296 | S | S | * | . | trans | -128.2 | 130.8 | 179 | -62.9 | -172.2 | -177.8 | -149.4 | 1.1 | 109.9 | S80 | S80-R332 PolarHBondContact OG-O 3Š| ||
| 333 | W | 91.3 | Very high | 92.6 | Very high | 47 Ų | 47 | 67.5 Ų | 67.5 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | trans | -122.7 | 113.7 | 174.6 | -162.2 | -118.7 | 0 | 0 | 0 | 110.3 | F95 G335 R336 | F95-W333 HydrophobicContact CD1-CH2 4.09Å; F95-W333 HydrophobicContact CD1-CZ3 4.07Å; F95-W333 HydrophobicContact CE1-CE3 4.23Å; F95-W333 AromaticContact CE1-CH2 3.22Å; F95-W333 HydrophobicContact CE1-CH2 3.22Å; F95-W333 AromaticContact CE1-CZ2 3.99Å; F95-W333 HydrophobicContact CE1-CZ2 3.99Å; F95-W333 AromaticContact CE1-CZ3 3.37Å; F95-W333 HydrophobicContact CE1-CZ3 3.37Å; F95-W333 AromaticContact CZ-CH2 3.73Å; F95-W333 HydrophobicContact CZ-CH2 3.73Å; F95-W333 HydrophobicContact CZ-CZ2 4.09Å; F95-W333 HydrophobicContact CZ-CZ3 4.27Å; W333-G335 PolarHBondContact O-N 3.39Å; W333-R336 HydrophobicContact CB-CB 4.3Å; W333-R336 PolarHBondContact O-N 2.72Å; W333-R336 VanDerWaalsContact O-N 3.12Å | ||
| 334 | P | 91.6 | Very high | 92.1 | Very high | 50 Ų | 50 | 70.6 Ų | 70.6 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 137.8 | 179.8 | -27.4 | 35.7 | 0 | 0 | 0 | 112.3 | L101 R336 | L101-P334 HydrophobicContact CD2-CB 3.95Å; P334-R336 VanDerWaalsContact C-N 3.27Å; P334-R336 PolarHBondContact O-N 3.45Å |
| 335 | G | 90.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 73.2 Ų | 73.2 | 7% | 0.072 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 11.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | W333 D350 G351 | W333-G335 PolarHBondContact O-N 3.39Å; G335-D350 CarbonylContact O-C 3.57Å; G335-D350 WeakPolarHBondContact O-CA 3.46Å; G335-G351 PolarHBondContact O-N 2.91Å |
| 336 | R | 89.2 | Confident | 91.6 | Very high | 78 Ų | 78 | 76 Ų | 76 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -125.5 | 107.5 | 172 | -71.1 | -60.1 | 178.5 | -160.3 | -9.7 | 110.2 | W333 P334 Q338 D350 G351 | W333-R336 HydrophobicContact CB-CB 4.3Å; W333-R336 PolarHBondContact O-N 2.72Å; W333-R336 VanDerWaalsContact O-N 3.12Å; P334-R336 VanDerWaalsContact C-N 3.27Å; P334-R336 PolarHBondContact O-N 3.45Å; R336-Q338 PolarHBondContact O-N 3.2Å; R336-Q338 VanDerWaalsContact O-N 3.11Å; R336-D350 IonicContact NH1-OD1 3.43Å; R336-G351 PolarHBondContact NH1-O 2.85Å; R336-G351 PolarHBondContact NH2-O 3.4Å |
| 337 | W | 86.5 | Confident | 91.5 | Very high | 53 Ų | 53 | 77.9 Ų | 77.9 | 20% | 0.201 | 37% | 0.372 | C | S | . | . | S | Bend | trans | 47.5 | 38.5 | -176.1 | -52.9 | -80 | 0 | 0 | 0 | 113.2 | Q280 L349 D350 W364 | Q280-W337 HydrophobicContact CG-CE3 4.19Å; Q280-W337 HydrophobicContact CG-CH2 4.07Å; Q280-W337 HydrophobicContact CG-CZ2 4.35Å; Q280-W337 HydrophobicContact CG-CZ3 3.98Å; W337-L349 PolarHBondContact N-O 3.38Å; W337-D350 PolarHBondContact N-OD2 2.91Å; W337-W364 VanDerWaalsContact CA-CH2 3.46Å; W337-W364 VanDerWaalsContact CA-CZ2 3.45Å; W337-W364 HydrophobicContact CB-CD2 4.16Å; W337-W364 HydrophobicContact CB-CH2 4.23Å; W337-W364 HydrophobicContact CB-CZ2 3.77Å; W337-W364 AromaticContact CD1-CD1 3.91Å; W337-W364 AromaticContact CD1-CD2 3.49Å; W337-W364 VanDerWaalsContact CD1-CD2 3.49Å; W337-W364 AromaticContact CD1-CE2 3.93Å; W337-W364 AromaticContact CD1-CE3 3.81Å; W337-W364 AromaticContact CD1-CG 3.51Å; W337-W364 HydrophobicContact CG-CD2 4.23Å; W337-W364 HydrophobicContact CG-CG 4.42Å; W337-W364 WeakPolarHBondContact O-CZ2 3.28Å |
| 338 | Q | 90.9 | Very high | 91.3 | Very high | 63 Ų | 63 | 79.2 Ų | 79.2 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 124.8 | -173.1 | 179.9 | -174 | 9.6 | 0 | 0 | 109.8 | R336 V340 L349 | R336-Q338 PolarHBondContact O-N 3.2Å; R336-Q338 VanDerWaalsContact O-N 3.11Å; Q338-V340 HydrophobicContact CG-CG2 3.87Å; Q338-L349 HydrophobicContact CB-CB 4.24Å; Q338-L349 PolarHBondContact N-O 3.28Å; Q338-L349 PolarHBondContact O-N 3.04Å |
| 339 | I | 90.7 | Very high | 91.2 | Very high | 76 Ų | 76 | 82.4 Ų | 82.4 | 39% | 0.39 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124 | 172.7 | -54.1 | -180 | 0 | 0 | 0 | 108.6 | T346 Y347 Y348 W364 K368 | I339-T346 HydrophobicContact CG2-CG2 3.65Å; I339-Y347 WeakPolarHBondContact CA-O 3.39Å; I339-Y348 HydrophobicContact CD1-CD1 4.22Å; I339-Y348 HydrophobicContact CD1-CE1 3.89Å; I339-Y348 HydrophobicContact CG1-CD1 3.94Å; I339-Y348 HydrophobicContact CG1-CE1 4.05Å; I339-Y348 HydrophobicContact CG2-CE1 4.39Å; I339-W364 HydrophobicContact CD1-CZ2 4.21Å; I339-W364 HydrophobicContact CG1-CH2 4.26Å; I339-W364 HydrophobicContact CG1-CZ2 3.7Å; I339-K368 HydrophobicContact CD1-CB 4.37Å; I339-K368 HydrophobicContact CD1-CG 4.29Å |
| 340 | V | 92.2 | Very high | 91.1 | Very high | 35 Ų | 35 | 82.7 Ų | 82.7 | 21% | 0.212 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 119.5 | 175.5 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | Q338 R342 Y347 L349 | Q338-V340 HydrophobicContact CG-CG2 3.87Å; V340-R342 HydrophobicContact CG1-CG 4.14Å; V340-Y347 PolarHBondContact N-O 3.49Å; V340-Y347 WeakPolarHBondContact O-CD2 3.34Å; V340-Y347 PolarHBondContact O-N 3.06Å; V340-L349 HydrophobicContact CG2-CD1 3.93Å |
| 341 | V | 91.7 | Very high | 90.9 | Very high | 95 Ų | 95 | 81.5 Ų | 81.5 | 58% | 0.576 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 125.1 | 175.5 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | T346 | V341-T346 HydrophobicContact CG2-CG2 4.13Å |
| 342 | R | 91.7 | Very high | 90.6 | Very high | 171 Ų | 171 | 81.6 Ų | 81.6 | 65% | 0.645 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 115.2 | 173.8 | -64.2 | -65.2 | -172.3 | -178.2 | 1.2 | 109.3 | V340 N344 I345 Y347 | V340-R342 HydrophobicContact CG1-CG 4.14Å; R342-N344 PolarHBondContact O-N 3.29Å; R342-N344 VanDerWaalsContact O-N 3.12Å; R342-I345 PolarHBondContact N-O 2.99Å; R342-I345 PolarHBondContact O-N 2.85Å; R342-Y347 HydrophobicContact CB-CE2 4.06Å; R342-Y347 HydrophobicContact CG-CD2 4.47Å; R342-Y347 HydrophobicContact CG-CE2 4.22Å |
| 343 | K | 89.8 | Confident | 90.3 | Very high | 209 Ų | 209 | 74.7 Ų | 74.7 | 91% | 0.909 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | -116 | -176.1 | -60.6 | 177.4 | 176.4 | 179.4 | 0 | 110.2 | ||
| 344 | N | 87.8 | Confident | 89.8 | Confident | 150 Ų | 150 | 74 Ų | 74 | 80% | 0.802 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 10.2 | -180 | 63.2 | -40.1 | 0 | 0 | 0 | 113.7 | R342 | R342-N344 PolarHBondContact O-N 3.29Å; R342-N344 VanDerWaalsContact O-N 3.12Å |
| 345 | I | 90.8 | Very high | 89.5 | Confident | 79 Ų | 79 | 73.2 Ų | 73.2 | 41% | 0.405 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 131.1 | -179.9 | -54.2 | 176.3 | 0 | 0 | 0 | 109.5 | R342 Y347 | R342-I345 PolarHBondContact N-O 2.99Å; R342-I345 PolarHBondContact O-N 2.85Å; I345-Y347 HydrophobicContact CB-CE2 3.92Å; I345-Y347 HydrophobicContact CG2-CD2 4Å; I345-Y347 HydrophobicContact CG2-CE1 4.15Å; I345-Y347 HydrophobicContact CG2-CE2 3.54Å; I345-Y347 HydrophobicContact CG2-CG 4.48Å |
| 346 | T | 91.6 | Very high | 89.1 | Confident | 59 Ų | 59 | 78.6 Ų | 78.6 | 36% | 0.362 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 115.5 | 171.5 | -56.6 | 0 | 0 | 0 | 0 | 108.9 | I339 V341 Y348 | I339-T346 HydrophobicContact CG2-CG2 3.65Å; V341-T346 HydrophobicContact CG2-CG2 4.13Å; T346-Y348 HydrophobicContact CG2-CD2 4.25Å; T346-Y348 HydrophobicContact CG2-CE1 4.39Å; T346-Y348 HydrophobicContact CG2-CE2 3.56Å |
| 347 | Y | 93.3 | Very high | 88.9 | Confident | 103 Ų | 103 | 76 Ų | 76 | 40% | 0.404 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 132.7 | 176.5 | -62.2 | -93.7 | 0 | 0 | 0 | 110 | I339 V340 R342 I345 | I339-Y347 WeakPolarHBondContact CA-O 3.39Å; V340-Y347 PolarHBondContact N-O 3.49Å; V340-Y347 WeakPolarHBondContact O-CD2 3.34Å; V340-Y347 PolarHBondContact O-N 3.06Å; R342-Y347 HydrophobicContact CB-CE2 4.06Å; R342-Y347 HydrophobicContact CG-CD2 4.47Å; R342-Y347 HydrophobicContact CG-CE2 4.22Å; I345-Y347 HydrophobicContact CB-CE2 3.92Å; I345-Y347 HydrophobicContact CG2-CD2 4Å; I345-Y347 HydrophobicContact CG2-CE1 4.15Å; I345-Y347 HydrophobicContact CG2-CE2 3.54Å; I345-Y347 HydrophobicContact CG2-CG 4.48Å |
| 348 | Y | 92.3 | Very high | 88.9 | Confident | 50 Ų | 50 | 74.5 Ų | 74.5 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 103.5 | 173.3 | -63.5 | -93.6 | 0 | 0 | 0 | 107.5 | I339 T346 W364 F365 K368 S369 | I339-Y348 HydrophobicContact CD1-CD1 4.22Å; I339-Y348 HydrophobicContact CD1-CE1 3.89Å; I339-Y348 HydrophobicContact CG1-CD1 3.94Å; I339-Y348 HydrophobicContact CG1-CE1 4.05Å; I339-Y348 HydrophobicContact CG2-CE1 4.39Å; T346-Y348 HydrophobicContact CG2-CD2 4.25Å; T346-Y348 HydrophobicContact CG2-CE1 4.39Å; T346-Y348 HydrophobicContact CG2-CE2 3.56Å; Y348-W364 AromaticContact CD1-CH2 3.86Å; Y348-W364 HydrophobicContact CD1-CH2 3.86Å; Y348-W364 HydrophobicContact CD1-CZ2 4.07Å; Y348-W364 HydrophobicContact CD1-CZ3 4.34Å; Y348-W364 HydrophobicContact CG-CH2 4.33Å; Y348-F365 HydrophobicContact CD1-CD2 4.2Å; Y348-F365 AromaticContact CD2-CD2 3.65Å; Y348-F365 HydrophobicContact CD2-CD2 3.65Å; Y348-F365 AromaticContact CD2-CE2 3.53Å; Y348-F365 HydrophobicContact CD2-CE2 3.53Å; Y348-F365 HydrophobicContact CE2-CD2 4.27Å; Y348-F365 AromaticContact CE2-CE2 3.97Å; Y348-F365 HydrophobicContact CE2-CE2 3.97Å; Y348-F365 AromaticContact CG-CD2 3.6Å; Y348-F365 HydrophobicContact CG-CD2 3.6Å; Y348-F365 HydrophobicContact CG-CE2 4.01Å; Y348-K368 HydrophobicContact CD1-CB 4.39Å; Y348-K368 HydrophobicContact CE1-CB 3.7Å; Y348-S369 WeakPolarHBondContact OH-CA 3.47Å |
| 349 | L | 93 | Very high | 88.7 | Confident | 69 Ų | 69 | 76.3 Ų | 76.3 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125.2 | -170.2 | -51.8 | 174.9 | 0 | 0 | 0 | 110 | W337 Q338 V340 | W337-L349 PolarHBondContact N-O 3.38Å; Q338-L349 HydrophobicContact CB-CB 4.24Å; Q338-L349 PolarHBondContact N-O 3.28Å; Q338-L349 PolarHBondContact O-N 3.04Å; V340-L349 HydrophobicContact CG2-CD1 3.93Å |
| 350 | D | 91.6 | Very high | 88.4 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 22% | 0.219 | 38% | 0.381 | C | S | . | . | trans | -144.4 | 135.4 | 171.3 | -159.4 | -84.4 | 0 | 0 | 0 | 112.3 | G335 R336 W337 A352 A361 | G335-D350 CarbonylContact O-C 3.57Å; G335-D350 WeakPolarHBondContact O-CA 3.46Å; R336-D350 IonicContact NH1-OD1 3.43Å; W337-D350 PolarHBondContact N-OD2 2.91Å; D350-A352 PolarHBondContact O-N 3.47Å; D350-A352 VanDerWaalsContact O-N 3.15Å; D350-A352 WeakPolarHBondContact OD1-CB 3.49Å; D350-A352 PolarHBondContact OD1-N 3.25Å; D350-A361 HydrophobicContact CB-CB 4.03Å | ||
| 351 | G | 88.6 | Confident | 88.2 | Confident | 31 Ų | 31 | 73.6 Ų | 73.6 | 32% | 0.32 | 38% | 0.375 | S | S | . | . | trans | -82.4 | 38.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G335 R336 H353 | G335-G351 PolarHBondContact O-N 2.91Å; R336-G351 PolarHBondContact NH1-O 2.85Å; R336-G351 PolarHBondContact NH2-O 3.4Å; G351-H353 PolarHBondContact O-N 3.49Å; G351-H353 PolarHBondContact O-ND1 2.99Å | ||
| 352 | A | 86.8 | Confident | 88 | Confident | 26 Ų | 26 | 69.4 Ų | 69.4 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | trans | -65.3 | 126.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | D350 S357 L358 A361 | D350-A352 PolarHBondContact O-N 3.47Å; D350-A352 VanDerWaalsContact O-N 3.15Å; D350-A352 WeakPolarHBondContact OD1-CB 3.49Å; D350-A352 PolarHBondContact OD1-N 3.25Å; A352-S357 WeakPolarHBondContact CA-OG 3.47Å; A352-L358 HydrophobicContact CB-CB 4.43Å; A352-A361 HydrophobicContact CB-CB 4.01Å | ||
| 353 | H | 84.4 | Confident | 87.7 | Confident | 77 Ų | 77 | 67.7 Ų | 67.7 | 36% | 0.356 | 35% | 0.346 | S | S | . | . | trans | -141.6 | 12.5 | -173.1 | 61.7 | -88.8 | 0 | 0 | 0 | 113.2 | K73 G351 S357 | K73-H353 PolarHBondContact NZ-NE2 3.39Å; G351-H353 PolarHBondContact O-N 3.49Å; G351-H353 PolarHBondContact O-ND1 2.99Å; H353-S357 PolarHBondContact N-OG 3.35Å; H353-S357 VanDerWaalsContact N-OG 3.08Å | ||
| 354 | T | 82.3 | Confident | 87.5 | Confident | 31 Ų | 31 | 58.5 Ų | 58.5 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -128.7 | 160.7 | 164.4 | 77.2 | 0 | 0 | 0 | 0 | 109.3 | E356 S357 L358 | T354-E356 VanDerWaalsContact C-N 3.28Å; T354-E356 WeakPolarHBondContact CB-OE2 3.34Å; T354-E356 PolarHBondContact O-N 3.09Å; T354-E356 PolarHBondContact OG1-OE2 3.49Å; T354-S357 PolarHBondContact N-OG 2.84Å; T354-S357 PolarHBondContact O-N 3.29Å; T354-S357 PolarHBondContact O-OG 2.93Å; T354-S357 PolarHBondContact OG1-N 3.24Å; T354-S357 PolarHBondContact OG1-OG 2.82Å; T354-L358 WeakPolarHBondContact O-CB 3.24Å; T354-L358 PolarHBondContact O-N 2.96Å |
| 355 | V | 83.7 | Confident | 87.5 | Confident | 35 Ų | 35 | 52.7 Ų | 52.7 | 21% | 0.212 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.5 | -43.6 | -179.3 | 177.2 | 0 | 0 | 0 | 0 | 111 | S357 L358 Q359 P394 C398 | V355-S357 PolarHBondContact O-N 2.8Å; V355-L358 PolarHBondContact O-N 2.92Å; V355-Q359 WeakPolarHBondContact O-CG 3.48Å; V355-Q359 PolarHBondContact O-N 3.06Å; V355-P394 HydrophobicContact CG2-CB 3.71Å; V355-C398 HydrophobicContact CG1-CB 4.43Å |
| 356 | E | 82.7 | Confident | 87.2 | Confident | 119 Ų | 119 | 51.6 Ų | 51.6 | 56% | 0.556 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -66.3 | -41.9 | -178.8 | -50.5 | 71.7 | -152.9 | 0 | 0 | 111.2 | T354 L358 Q359 S360 | T354-E356 VanDerWaalsContact C-N 3.28Å; T354-E356 WeakPolarHBondContact CB-OE2 3.34Å; T354-E356 PolarHBondContact O-N 3.09Å; T354-E356 PolarHBondContact OG1-OE2 3.49Å; E356-L358 VanDerWaalsContact C-N 3.31Å; E356-L358 PolarHBondContact O-N 3.28Å; E356-Q359 PolarHBondContact O-N 3.4Å; E356-S360 PolarHBondContact O-N 3.43Å; E356-S360 VanDerWaalsContact O-N 3.09Å; E356-S360 PolarHBondContact O-OG 2.89Å |
| 357 | S | 84.4 | Confident | 86.7 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.3 | -34.4 | 175.9 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | A352 H353 T354 V355 S360 A361 | A352-S357 WeakPolarHBondContact CA-OG 3.47Å; H353-S357 PolarHBondContact N-OG 3.35Å; H353-S357 VanDerWaalsContact N-OG 3.08Å; T354-S357 PolarHBondContact N-OG 2.84Å; T354-S357 PolarHBondContact O-N 3.29Å; T354-S357 PolarHBondContact O-OG 2.93Å; T354-S357 PolarHBondContact OG1-N 3.24Å; T354-S357 PolarHBondContact OG1-OG 2.82Å; V355-S357 PolarHBondContact O-N 2.8Å; S357-S360 PolarHBondContact O-N 3.25Å; S357-A361 WeakPolarHBondContact O-CB 3.43Å; S357-A361 PolarHBondContact O-N 3.34Å |
| 358 | L | 87.3 | Confident | 86.3 | Confident | 21 Ų | 21 | 49.5 Ų | 49.5 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.4 | -43.8 | 177.4 | 179.6 | 60.2 | 0 | 0 | 0 | 111 | A352 T354 V355 E356 S360 A361 I362 F395 C398 L399 | A352-L358 HydrophobicContact CB-CB 4.43Å; T354-L358 WeakPolarHBondContact O-CB 3.24Å; T354-L358 PolarHBondContact O-N 2.96Å; V355-L358 PolarHBondContact O-N 2.92Å; E356-L358 VanDerWaalsContact C-N 3.31Å; E356-L358 PolarHBondContact O-N 3.28Å; L358-S360 VanDerWaalsContact C-N 3.26Å; L358-S360 PolarHBondContact O-N 3.13Å; L358-A361 PolarHBondContact O-N 3.06Å; L358-I362 HydrophobicContact CD1-CD1 3.93Å; L358-I362 HydrophobicContact CD1-CG1 4.03Å; L358-I362 HydrophobicContact CG-CD1 3.77Å; L358-I362 HydrophobicContact CG-CG1 4.34Å; L358-I362 VanDerWaalsContact O-CG1 3.24Å; L358-I362 WeakPolarHBondContact O-CG1 3.31Å; L358-I362 PolarHBondContact O-N 3.35Å; L358-F395 HydrophobicContact CD2-CB 3.99Å; L358-F395 HydrophobicContact CD2-CD1 3.91Å; L358-F395 HydrophobicContact CD2-CG 4.46Å; L358-C398 HydrophobicContact CD2-CB 4.28Å; L358-L399 HydrophobicContact CD1-CD2 4.41Å; L358-L399 HydrophobicContact CD2-CG 4.18Å |
| 359 | Q | 86.4 | Confident | 85.9 | Confident | 101 Ų | 101 | 47.3 Ų | 47.3 | 47% | 0.472 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -55 | -45.3 | 172.2 | -72.7 | 174.1 | -21.8 | 0 | 0 | 111.3 | V355 E356 I362 K363 C398 | V355-Q359 WeakPolarHBondContact O-CG 3.48Å; V355-Q359 PolarHBondContact O-N 3.06Å; E356-Q359 PolarHBondContact O-N 3.4Å; Q359-I362 PolarHBondContact O-N 3.33Å; Q359-K363 WeakPolarHBondContact O-CB 3.49Å; Q359-K363 PolarHBondContact O-N 3.42Å; Q359-C398 WeakPolarHBondContact CG-SG 3.32Å |
| 360 | S | 85.1 | Confident | 85.4 | Confident | 44 Ų | 44 | 48.8 Ų | 48.8 | 31% | 0.308 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 177.7 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | E356 S357 L358 K363 W364 | E356-S360 PolarHBondContact O-N 3.43Å; E356-S360 VanDerWaalsContact O-N 3.09Å; E356-S360 PolarHBondContact O-OG 2.89Å; S357-S360 PolarHBondContact O-N 3.25Å; L358-S360 VanDerWaalsContact C-N 3.26Å; L358-S360 PolarHBondContact O-N 3.13Å; S360-K363 PolarHBondContact O-N 3.08Å; S360-W364 WeakPolarHBondContact O-CB 3.19Å; S360-W364 PolarHBondContact O-N 2.97Å |
| 361 | A | 87.5 | Confident | 84.7 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 8% | 0.083 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D350 A352 S357 L358 W364 F365 | D350-A361 HydrophobicContact CB-CB 4.03Å; A352-A361 HydrophobicContact CB-CB 4.01Å; S357-A361 WeakPolarHBondContact O-CB 3.43Å; S357-A361 PolarHBondContact O-N 3.34Å; L358-A361 PolarHBondContact O-N 3.06Å; A361-W364 WeakPolarHBondContact O-CB 3.4Å; A361-W364 PolarHBondContact O-N 3.31Å; A361-F365 WeakPolarHBondContact O-CB 3.01Å; A361-F365 PolarHBondContact O-N 3.39Å |
| 362 | I | 86.6 | Confident | 83.8 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.2 | -46 | 177.1 | -65.1 | 163.8 | 0 | 0 | 0 | 110.6 | L358 Q359 W364 F365 Q366 L399 I402 F403 | L358-I362 HydrophobicContact CD1-CD1 3.93Å; L358-I362 HydrophobicContact CD1-CG1 4.03Å; L358-I362 HydrophobicContact CG-CD1 3.77Å; L358-I362 HydrophobicContact CG-CG1 4.34Å; L358-I362 VanDerWaalsContact O-CG1 3.24Å; L358-I362 WeakPolarHBondContact O-CG1 3.31Å; L358-I362 PolarHBondContact O-N 3.35Å; Q359-I362 PolarHBondContact O-N 3.33Å; I362-W364 VanDerWaalsContact C-N 3.27Å; I362-W364 PolarHBondContact O-N 3.04Å; I362-F365 WeakPolarHBondContact O-CB 3.21Å; I362-F365 PolarHBondContact O-N 2.87Å; I362-F365 VanDerWaalsContact O-N 3.09Å; I362-Q366 HydrophobicContact CG2-CG 4.34Å; I362-Q366 WeakPolarHBondContact O-CG 3.35Å; I362-Q366 PolarHBondContact O-N 2.91Å; I362-L399 HydrophobicContact CD1-CD2 3.55Å; I362-L399 HydrophobicContact CD1-CG 4.28Å; I362-L399 HydrophobicContact CG1-CD2 4.17Å; I362-I402 HydrophobicContact CB-CD1 3.97Å; I362-I402 HydrophobicContact CD1-CD1 3.83Å; I362-I402 HydrophobicContact CG2-CB 3.9Å; I362-I402 HydrophobicContact CG2-CD1 3.61Å; I362-I402 HydrophobicContact CG2-CG1 4.33Å; I362-I402 HydrophobicContact CG2-CG2 3.33Å; I362-F403 HydrophobicContact CG1-CE2 4.39Å; I362-F403 HydrophobicContact CG2-CE2 3.62Å; I362-F403 HydrophobicContact CG2-CZ 3.99Å |
| 363 | K | 85.4 | Confident | 82.7 | Confident | 135 Ų | 135 | 54.3 Ų | 54.3 | 59% | 0.587 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -57.4 | -43.9 | 176.7 | -172.8 | 175.9 | -174.2 | 179.8 | 0 | 111 | Q359 S360 Q366 N367 | Q359-K363 WeakPolarHBondContact O-CB 3.49Å; Q359-K363 PolarHBondContact O-N 3.42Å; S360-K363 PolarHBondContact O-N 3.08Å; K363-Q366 PolarHBondContact O-N 3.17Å; K363-N367 WeakPolarHBondContact O-CB 3.46Å; K363-N367 PolarHBondContact O-N 3.04Å; K363-N367 PolarHBondContact O-ND2 2.85Å; K363-N367 PolarHBondContact O-OD1 3.14Å |
| 364 | W | 86.5 | Confident | 81.6 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 173.1 | 164.9 | 77.3 | 0 | 0 | 0 | 112.5 | W337 I339 Y348 S360 A361 I362 Q366 N367 K368 | W337-W364 VanDerWaalsContact CA-CH2 3.46Å; W337-W364 VanDerWaalsContact CA-CZ2 3.45Å; W337-W364 HydrophobicContact CB-CD2 4.16Å; W337-W364 HydrophobicContact CB-CH2 4.23Å; W337-W364 HydrophobicContact CB-CZ2 3.77Å; W337-W364 AromaticContact CD1-CD1 3.91Å; W337-W364 AromaticContact CD1-CD2 3.49Å; W337-W364 VanDerWaalsContact CD1-CD2 3.49Å; W337-W364 AromaticContact CD1-CE2 3.93Å; W337-W364 AromaticContact CD1-CE3 3.81Å; W337-W364 AromaticContact CD1-CG 3.51Å; W337-W364 HydrophobicContact CG-CD2 4.23Å; W337-W364 HydrophobicContact CG-CG 4.42Å; W337-W364 WeakPolarHBondContact O-CZ2 3.28Å; I339-W364 HydrophobicContact CD1-CZ2 4.21Å; I339-W364 HydrophobicContact CG1-CH2 4.26Å; I339-W364 HydrophobicContact CG1-CZ2 3.7Å; Y348-W364 AromaticContact CD1-CH2 3.86Å; Y348-W364 HydrophobicContact CD1-CH2 3.86Å; Y348-W364 HydrophobicContact CD1-CZ2 4.07Å; Y348-W364 HydrophobicContact CD1-CZ3 4.34Å; Y348-W364 HydrophobicContact CG-CH2 4.33Å; S360-W364 WeakPolarHBondContact O-CB 3.19Å; S360-W364 PolarHBondContact O-N 2.97Å; A361-W364 WeakPolarHBondContact O-CB 3.4Å; A361-W364 PolarHBondContact O-N 3.31Å; I362-W364 VanDerWaalsContact C-N 3.27Å; I362-W364 PolarHBondContact O-N 3.04Å; W364-Q366 VanDerWaalsContact C-N 3.34Å; W364-Q366 PolarHBondContact O-N 3.32Å; W364-N367 PolarHBondContact O-N 3.41Å; W364-K368 PolarHBondContact O-N 3.05Å |
| 365 | F | 87.2 | Confident | 80.3 | Confident | 27 Ų | 27 | 64.5 Ų | 64.5 | 12% | 0.118 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 177.9 | 167.4 | -96.9 | 0 | 0 | 0 | 112 | Y348 A361 I362 S369 R380 F403 | Y348-F365 HydrophobicContact CD1-CD2 4.2Å; Y348-F365 AromaticContact CD2-CD2 3.65Å; Y348-F365 HydrophobicContact CD2-CD2 3.65Å; Y348-F365 AromaticContact CD2-CE2 3.53Å; Y348-F365 HydrophobicContact CD2-CE2 3.53Å; Y348-F365 HydrophobicContact CE2-CD2 4.27Å; Y348-F365 AromaticContact CE2-CE2 3.97Å; Y348-F365 HydrophobicContact CE2-CE2 3.97Å; Y348-F365 AromaticContact CG-CD2 3.6Å; Y348-F365 HydrophobicContact CG-CD2 3.6Å; Y348-F365 HydrophobicContact CG-CE2 4.01Å; A361-F365 WeakPolarHBondContact O-CB 3.01Å; A361-F365 PolarHBondContact O-N 3.39Å; I362-F365 WeakPolarHBondContact O-CB 3.21Å; I362-F365 PolarHBondContact O-N 2.87Å; I362-F365 VanDerWaalsContact O-N 3.09Å; F365-S369 WeakPolarHBondContact O-CB 3.42Å; F365-S369 PolarHBondContact O-N 2.8Å; F365-S369 PolarHBondContact O-OG 2.86Å; F365-R380 HydrophobicContact CE1-CB 4.5Å; F365-R380 HydrophobicContact CZ-CB 4.06Å; F365-R380 HydrophobicContact CZ-CG 4.04Å; F365-F403 HydrophobicContact CD1-CE1 4.26Å; F365-F403 AromaticContact CD1-CZ 3.88Å; F365-F403 HydrophobicContact CD1-CZ 3.88Å; F365-F403 AromaticContact CE1-CE1 3.82Å; F365-F403 HydrophobicContact CE1-CE1 3.82Å; F365-F403 AromaticContact CE1-CZ 3.88Å; F365-F403 HydrophobicContact CE1-CZ 3.88Å |
| 366 | Q | 84.3 | Confident | 79.6 | Confident | 56 Ų | 56 | 72.9 Ų | 72.9 | 26% | 0.262 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.9 | -51.8 | 176.3 | -71.6 | -178.2 | -54.9 | 0 | 0 | 110.3 | I362 K363 W364 K368 S369 F370 I402 | I362-Q366 HydrophobicContact CG2-CG 4.34Å; I362-Q366 WeakPolarHBondContact O-CG 3.35Å; I362-Q366 PolarHBondContact O-N 2.91Å; K363-Q366 PolarHBondContact O-N 3.17Å; W364-Q366 VanDerWaalsContact C-N 3.34Å; W364-Q366 PolarHBondContact O-N 3.32Å; Q366-K368 VanDerWaalsContact C-N 3.33Å; Q366-K368 PolarHBondContact O-N 3.37Å; Q366-S369 PolarHBondContact O-N 3.46Å; Q366-F370 HydrophobicContact CB-CD2 4.35Å; Q366-F370 HydrophobicContact CB-CE2 4.38Å; Q366-F370 HydrophobicContact CG-CE2 4.31Å; Q366-F370 VanDerWaalsContact O-CB 3.27Å; Q366-F370 WeakPolarHBondContact O-CB 3.22Å; Q366-F370 WeakPolarHBondContact O-CD2 3.48Å; Q366-F370 PolarHBondContact O-N 3.5Å; Q366-I402 HydrophobicContact CG-CG2 4.28Å |
| 367 | N | 81.8 | Confident | 79.2 | Confident | 55 Ų | 55 | 79.1 Ų | 79.1 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | -176.9 | -66.8 | -11.2 | 0 | 0 | 0 | 112.1 | N274 T275 K363 W364 A371 | N274-N367 PolarHBondContact O-ND2 2.78Å; T275-N367 HydrophobicContact CG2-CB 4.06Å; K363-N367 WeakPolarHBondContact O-CB 3.46Å; K363-N367 PolarHBondContact O-N 3.04Å; K363-N367 PolarHBondContact O-ND2 2.85Å; K363-N367 PolarHBondContact O-OD1 3.14Å; W364-N367 PolarHBondContact O-N 3.41Å; N367-A371 WeakPolarHBondContact O-CB 2.72Å |
| 368 | K | 84.3 | Confident | 79 | Confident | 63 Ų | 63 | 80.7 Ų | 80.7 | 27% | 0.274 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -79.8 | -39 | -179.2 | -67.2 | -59.5 | -164.3 | -169.8 | 0 | 113.9 | T275 I339 Y348 W364 Q366 | T275-K368 HydrophobicContact CG2-CD 4.21Å; T275-K368 VanDerWaalsContact OG1-CE 3.31Å; T275-K368 WeakPolarHBondContact OG1-CE 3.35Å; T275-K368 PolarHBondContact OG1-NZ 3.28Å; I339-K368 HydrophobicContact CD1-CB 4.37Å; I339-K368 HydrophobicContact CD1-CG 4.29Å; Y348-K368 HydrophobicContact CD1-CB 4.39Å; Y348-K368 HydrophobicContact CE1-CB 3.7Å; W364-K368 PolarHBondContact O-N 3.05Å; Q366-K368 VanDerWaalsContact C-N 3.33Å; Q366-K368 PolarHBondContact O-N 3.37Å |
| 369 | S | 84.6 | Confident | 78.9 | Confident | 5 Ų | 5 | 87 Ų | 87 | 4% | 0.035 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -78.8 | -29.4 | -176.4 | 71.5 | 0 | 0 | 0 | 0 | 113 | Y348 F365 Q366 S372 R380 | Y348-S369 WeakPolarHBondContact OH-CA 3.47Å; F365-S369 WeakPolarHBondContact O-CB 3.42Å; F365-S369 PolarHBondContact O-N 2.8Å; F365-S369 PolarHBondContact O-OG 2.86Å; Q366-S369 PolarHBondContact O-N 3.46Å; S369-S372 PolarHBondContact O-OG 3.05Å; S369-R380 PolarHBondContact O-NH2 2.82Å; S369-R380 PolarHBondContact OG-NE 3.01Å |
| 370 | F | 81.9 | Confident | 78.8 | Confident | 99 Ų | 99 | 85.4 Ų | 85.4 | 43% | 0.434 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -80.3 | -32.7 | 178.7 | -74 | -117.2 | 0 | 0 | 0 | 112 | Q366 S372 N373 R380 | Q366-F370 HydrophobicContact CB-CD2 4.35Å; Q366-F370 HydrophobicContact CB-CE2 4.38Å; Q366-F370 HydrophobicContact CG-CE2 4.31Å; Q366-F370 VanDerWaalsContact O-CB 3.27Å; Q366-F370 WeakPolarHBondContact O-CB 3.22Å; Q366-F370 WeakPolarHBondContact O-CD2 3.48Å; Q366-F370 PolarHBondContact O-N 3.5Å; F370-S372 PolarHBondContact O-N 3.33Å; F370-N373 WeakPolarHBondContact O-CB 3.39Å; F370-N373 PolarHBondContact O-N 3.03Å; F370-N373 PolarHBondContact O-ND2 3.14Å; F370-R380 VanDerWaalsContact CE2-NE 3.26Å |
| 371 | A | 77.1 | Confident | 78.8 | Confident | 84 Ų | 84 | 89.4 Ų | 89.4 | 69% | 0.694 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N367 N373 | N367-A371 WeakPolarHBondContact O-CB 2.72Å; A371-N373 VanDerWaalsContact C-N 3.34Å |
| 372 | S | 68.8 | Low | 78.7 | Confident | 64 Ų | 64 | 92 Ų | 92 | 45% | 0.448 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 5.2 | 180 | 82 | 0 | 0 | 0 | 0 | 115 | S369 F370 N374 | S369-S372 PolarHBondContact O-OG 3.05Å; F370-S372 PolarHBondContact O-N 3.33Å; S372-N374 PolarHBondContact O-N 2.83Å |
| 373 | N | 65.3 | Low | 78.8 | Confident | 66 Ų | 66 | 98.7 Ų | 98.7 | 35% | 0.353 | 49% | 0.485 | S | S | . | . | trans | -72.1 | 68.1 | -178.3 | -74.8 | -16.3 | 0 | 0 | 0 | 112.1 | F370 A371 N375 P378 R380 | F370-N373 WeakPolarHBondContact O-CB 3.39Å; F370-N373 PolarHBondContact O-N 3.03Å; F370-N373 PolarHBondContact O-ND2 3.14Å; A371-N373 VanDerWaalsContact C-N 3.34Å; N373-N375 VanDerWaalsContact C-N 3.26Å; N373-N375 PolarHBondContact O-N 2.99Å; N373-P378 WeakPolarHBondContact OD1-CD 3.37Å; N373-P378 WeakPolarHBondContact OD1-CG 3.39Å; N373-R380 PolarHBondContact ND2-NH2 2.85Å; N373-R380 PolarHBondContact OD1-NH2 2.95Å | ||
| 374 | N | 59.7 | Low | 78.7 | Confident | 145 Ų | 145 | 96 Ų | 96 | 78% | 0.775 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -76.6 | 75.7 | 169.8 | -76.9 | -12.6 | 0 | 0 | 0 | 110.1 | S372 R376 | S372-N374 PolarHBondContact O-N 2.83Å; N374-R376 PolarHBondContact O-N 3.2Å |
| 375 | N | 56.3 | Low | 78.7 | Confident | 177 Ų | 177 | 100.1 Ų | 100.1 | 95% | 0.947 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 60.2 | 13.5 | 173.7 | -68.4 | -17.6 | 0 | 0 | 0 | 117 | N373 | N373-N375 VanDerWaalsContact C-N 3.26Å; N373-N375 PolarHBondContact O-N 2.99Å |
| 376 | R | 68.3 | Low | 78.4 | Confident | 212 Ų | 212 | 100.8 Ų | 100.8 | 80% | 0.8 | 51% | 0.507 | S | S | * | . | trans | -116.2 | 144.7 | 168.7 | -67.9 | -177.3 | 177.2 | 173.6 | -0.5 | 108.9 | N374 P378 | N374-R376 PolarHBondContact O-N 3.2Å; R376-P378 WeakPolarHBondContact O-CD 3.21Å | ||
| 377 | R | 75.2 | Confident | 78.1 | Confident | 250 Ų | 250 | 104.3 Ų | 104.3 | 94% | 0.943 | 53% | 0.526 | S | S | * | . | trans | -90.3 | 93.4 | 169.1 | -73.9 | -174.6 | 178.8 | -175.7 | 0.7 | 108.2 | ||||
| 378 | P | 80 | Confident | 77.7 | Confident | 56 Ų | 56 | 104.2 Ų | 104.2 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | trans | -70.1 | 139.1 | 178.2 | 30.2 | -36 | 0 | 0 | 0 | 110.2 | N373 R376 R380 | N373-P378 WeakPolarHBondContact OD1-CD 3.37Å; N373-P378 WeakPolarHBondContact OD1-CG 3.39Å; R376-P378 WeakPolarHBondContact O-CD 3.21Å; P378-R380 PolarHBondContact O-N 3.46Å | ||
| 379 | I | 83.7 | Confident | 77.3 | Confident | 154 Ų | 154 | 108 Ų | 108 | 79% | 0.79 | 57% | 0.569 | S | S | * | * | trans | -69.9 | 127.1 | 166.9 | -59.7 | 174.5 | 0 | 0 | 0 | 107.4 | I381 | I379-I381 HydrophobicContact CG2-CD1 4.3Å; I379-I381 HydrophobicContact CG2-CG1 3.94Å | ||
| 380 | R | 85.4 | Confident | 76.9 | Confident | 67 Ų | 67 | 113.6 Ų | 113.6 | 25% | 0.253 | 59% | 0.589 | S | S | . | * | trans | -106 | 122.3 | 177.7 | -68 | -178 | -178.6 | 78.3 | 7.3 | 108.9 | F365 S369 F370 N373 P378 | F365-R380 HydrophobicContact CE1-CB 4.5Å; F365-R380 HydrophobicContact CZ-CB 4.06Å; F365-R380 HydrophobicContact CZ-CG 4.04Å; S369-R380 PolarHBondContact O-NH2 2.82Å; S369-R380 PolarHBondContact OG-NE 3.01Å; F370-R380 VanDerWaalsContact CE2-NE 3.26Å; N373-R380 PolarHBondContact ND2-NH2 2.85Å; N373-R380 PolarHBondContact OD1-NH2 2.95Å; P378-R380 PolarHBondContact O-N 3.46Å | ||
| 381 | I | 85.4 | Confident | 76.9 | Confident | 128 Ų | 128 | 113 Ų | 113 | 66% | 0.656 | 59% | 0.591 | S | S | * | * | trans | -120.5 | 136.2 | -179.3 | -55.5 | 177.4 | 0 | 0 | 0 | 107.9 | I379 I383 | I379-I381 HydrophobicContact CG2-CD1 4.3Å; I379-I381 HydrophobicContact CG2-CG1 3.94Å; I381-I383 HydrophobicContact CG2-CG1 4.42Å | ||
| 382 | I | 85.4 | Confident | 77.3 | Confident | 65 Ų | 65 | 110 Ų | 110 | 33% | 0.333 | 56% | 0.564 | S | S | . | * | trans | -106.8 | 130.4 | 171.1 | -60.8 | 166.9 | 0 | 0 | 0 | 108.3 | F384 L399 F403 | I382-F384 HydrophobicContact CG2-CB 4.31Å; I382-L399 HydrophobicContact CD1-CD2 3.81Å; I382-L399 HydrophobicContact CG2-CD2 4.09Å; I382-F403 HydrophobicContact CD1-CD1 4.05Å; I382-F403 HydrophobicContact CD1-CD2 3.35Å; I382-F403 HydrophobicContact CD1-CE1 3.73Å; I382-F403 HydrophobicContact CD1-CE2 3.01Å; I382-F403 HydrophobicContact CD1-CG 3.89Å; I382-F403 HydrophobicContact CD1-CZ 3.21Å; I382-F403 HydrophobicContact CG1-CE1 4.3Å; I382-F403 HydrophobicContact CG1-CE2 4.17Å; I382-F403 HydrophobicContact CG1-CZ 3.93Å | ||
| 383 | I | 87.8 | Confident | 78.2 | Confident | 148 Ų | 148 | 112.6 Ų | 112.6 | 76% | 0.759 | 57% | 0.567 | S | S | * | * | trans | -114.6 | 120.6 | 166.7 | -56.4 | 174.5 | 0 | 0 | 0 | 105.5 | I381 | I381-I383 HydrophobicContact CG2-CG1 4.42Š| ||
| 384 | F | 84.8 | Confident | 79.2 | Confident | 79 Ų | 79 | 112 Ų | 112 | 35% | 0.346 | 57% | 0.568 | S | S | . | * | trans | -133.7 | 151.6 | 176.9 | 86.8 | -80.1 | 0 | 0 | 0 | 110 | I382 V386 L396 L399 | I382-F384 HydrophobicContact CG2-CB 4.31Å; F384-V386 HydrophobicContact CD2-CG2 4.17Å; F384-V386 HydrophobicContact CE2-CG2 3.94Å; F384-L396 HydrophobicContact CE1-CD2 3.73Å; F384-L396 HydrophobicContact CE2-CD2 4.37Å; F384-L396 HydrophobicContact CZ-CD2 3.36Å; F384-L396 HydrophobicContact CZ-CG 3.95Å; F384-L399 HydrophobicContact CB-CD1 4.49Å; F384-L399 HydrophobicContact CD1-CD1 3.6Å; F384-L399 HydrophobicContact CD2-CD1 4.18Å; F384-L399 HydrophobicContact CE1-CD1 3.81Å; F384-L399 HydrophobicContact CE2-CD1 4.36Å; F384-L399 HydrophobicContact CG-CD1 3.82Å; F384-L399 HydrophobicContact CZ-CD1 4.21Å | ||
| 385 | T | 84.9 | Confident | 80.5 | Confident | 102 Ų | 102 | 106.1 Ų | 106.1 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | trans | -138.9 | 135.3 | 178.1 | -53.3 | 0 | 0 | 0 | 0 | 108.9 | I387 | T385-I387 HydrophobicContact CG2-CG1 3.91Š| ||
| 386 | V | 82 | Confident | 81.9 | Confident | 42 Ų | 42 | 98.4 Ų | 98.4 | 26% | 0.255 | 49% | 0.493 | S | S | . | . | trans | -108.8 | 115 | 171.9 | 177.5 | 0 | 0 | 0 | 0 | 107.2 | F384 R390 P392 F395 | F384-V386 HydrophobicContact CD2-CG2 4.17Å; F384-V386 HydrophobicContact CE2-CG2 3.94Å; V386-R390 HydrophobicContact CG1-CB 3.74Å; V386-P392 HydrophobicContact CG2-CB 4.35Å; V386-F395 HydrophobicContact CG2-CB 4.38Å; V386-F395 HydrophobicContact CG2-CD2 4.18Å; V386-F395 HydrophobicContact CG2-CG 4.12Å | ||
| 387 | I | 77.1 | Confident | 82.7 | Confident | 130 Ų | 130 | 94.5 Ų | 94.5 | 67% | 0.667 | 48% | 0.482 | S | S | * | . | trans | -101.9 | 140.1 | -179.4 | -55.4 | 175 | 0 | 0 | 0 | 109.3 | T385 R390 | T385-I387 HydrophobicContact CG2-CG1 3.91Å; I387-R390 PolarHBondContact O-NH1 3.25Å | ||
| 388 | G | 72.8 | Confident | 83.1 | Confident | 53 Ų | 53 | 83 Ų | 83 | 55% | 0.546 | 44% | 0.44 | S | S | . | . | S | Bend | trans | 87 | -167 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R390 | G388-R390 PolarHBondContact O-N 3.46Š|
| 389 | P | 76.8 | Confident | 83.3 | Confident | 143 Ų | 143 | 80.9 Ų | 80.9 | 93% | 0.929 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -76.4 | 21.5 | -169.6 | 32.9 | -37.7 | 0 | 0 | 0 | 114.3 | ||
| 390 | R | 75.5 | Confident | 82.9 | Confident | 121 Ų | 121 | 75.4 Ų | 75.4 | 46% | 0.457 | 40% | 0.397 | S | S | . | . | trans | -81.9 | 139.2 | -174.8 | -63.2 | -178.3 | -178.1 | 101.2 | -5 | 110.6 | V386 I387 G388 P392 | V386-R390 HydrophobicContact CG1-CB 3.74Å; I387-R390 PolarHBondContact O-NH1 3.25Å; G388-R390 PolarHBondContact O-N 3.46Å; R390-P392 VanDerWaalsContact O-CD 3.31Å; R390-P392 WeakPolarHBondContact O-CD 3.4Å | ||
| 391 | D | 81.7 | Confident | 82 | Confident | 87 Ų | 87 | 77.9 Ų | 77.9 | 47% | 0.465 | 42% | 0.419 | S | S | . | . | trans | -66.2 | 120.4 | 170.8 | -178.8 | 7.2 | 0 | 0 | 0 | 109.6 | K393 P394 F395 | D391-K393 VanDerWaalsContact C-N 3.28Å; D391-K393 PolarHBondContact O-N 2.83Å; D391-K393 WeakPolarHBondContact OD1-CB 3.26Å; D391-K393 WeakPolarHBondContact OD1-CG 3.48Å; D391-K393 PolarHBondContact OD1-N 2.81Å; D391-P394 WeakPolarHBondContact O-CD 3.41Å; D391-F395 VanDerWaalsContact O-CD2 3.29Å; D391-F395 WeakPolarHBondContact O-CD2 3.47Å; D391-F395 WeakPolarHBondContact O-CE2 3.42Å | ||
| 392 | P | 86.1 | Confident | 80.9 | Confident | 22 Ų | 22 | 74 Ų | 74 | 14% | 0.143 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -73 | -16.9 | 177 | 29.6 | -35.8 | 0 | 0 | 0 | 113.5 | V386 R390 F395 L396 | V386-P392 HydrophobicContact CG2-CB 4.35Å; R390-P392 VanDerWaalsContact O-CD 3.31Å; R390-P392 WeakPolarHBondContact O-CD 3.4Å; P392-F395 WeakPolarHBondContact O-CB 3.09Å; P392-F395 PolarHBondContact O-N 2.57Å; P392-L396 PolarHBondContact O-N 3.26Å |
| 393 | K | 86.9 | Confident | 79.8 | Confident | 117 Ų | 117 | 72.6 Ų | 72.6 | 51% | 0.509 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.5 | -45.8 | -173.4 | -68.6 | 174.2 | 179.5 | 177.7 | 0 | 114 | D391 F395 L396 K397 | D391-K393 VanDerWaalsContact C-N 3.28Å; D391-K393 PolarHBondContact O-N 2.83Å; D391-K393 WeakPolarHBondContact OD1-CB 3.26Å; D391-K393 WeakPolarHBondContact OD1-CG 3.48Å; D391-K393 PolarHBondContact OD1-N 2.81Å; K393-F395 VanDerWaalsContact C-N 3.27Å; K393-F395 PolarHBondContact O-N 2.82Å; K393-L396 PolarHBondContact O-N 3.13Å; K393-K397 WeakPolarHBondContact O-CG 3.45Å; K393-K397 PolarHBondContact O-N 2.74Å |
| 394 | P | 87.5 | Confident | 78 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 36% | 0.357 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.2 | -35.8 | 177.4 | -24.3 | 36.3 | 0 | 0 | 0 | 112.9 | V355 D391 C398 | V355-P394 HydrophobicContact CG2-CB 3.71Å; D391-P394 WeakPolarHBondContact O-CD 3.41Å; P394-C398 PolarHBondContact O-N 3.18Å; P394-C398 VanDerWaalsContact O-N 3.08Å |
| 395 | F | 87.5 | Confident | 76.2 | Confident | 21 Ų | 21 | 75.4 Ų | 75.4 | 9% | 0.092 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.6 | -44.8 | 176.8 | -60.9 | -95.7 | 0 | 0 | 0 | 111.4 | L358 V386 D391 P392 K393 C398 L399 | L358-F395 HydrophobicContact CD2-CB 3.99Å; L358-F395 HydrophobicContact CD2-CD1 3.91Å; L358-F395 HydrophobicContact CD2-CG 4.46Å; V386-F395 HydrophobicContact CG2-CB 4.38Å; V386-F395 HydrophobicContact CG2-CD2 4.18Å; V386-F395 HydrophobicContact CG2-CG 4.12Å; D391-F395 VanDerWaalsContact O-CD2 3.29Å; D391-F395 WeakPolarHBondContact O-CD2 3.47Å; D391-F395 WeakPolarHBondContact O-CE2 3.42Å; P392-F395 WeakPolarHBondContact O-CB 3.09Å; P392-F395 PolarHBondContact O-N 2.57Å; K393-F395 VanDerWaalsContact C-N 3.27Å; K393-F395 PolarHBondContact O-N 2.82Å; F395-C398 WeakPolarHBondContact O-CB 3.27Å; F395-C398 PolarHBondContact O-N 3.15Å; F395-L399 WeakPolarHBondContact O-CG 3.39Å; F395-L399 PolarHBondContact O-N 3.31Å |
| 396 | L | 85.3 | Confident | 74.4 | Confident | 14 Ų | 14 | 78.9 Ų | 78.9 | 7% | 0.073 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 175.8 | -77.4 | 172.2 | 0 | 0 | 0 | 112.2 | F384 P392 K393 C398 L399 Q400 L414 | F384-L396 HydrophobicContact CE1-CD2 3.73Å; F384-L396 HydrophobicContact CE2-CD2 4.37Å; F384-L396 HydrophobicContact CZ-CD2 3.36Å; F384-L396 HydrophobicContact CZ-CG 3.95Å; P392-L396 PolarHBondContact O-N 3.26Å; K393-L396 PolarHBondContact O-N 3.13Å; L396-C398 VanDerWaalsContact C-N 3.31Å; L396-C398 PolarHBondContact O-N 2.83Å; L396-L399 WeakPolarHBondContact O-CB 3.43Å; L396-L399 PolarHBondContact O-N 3.44Å; L396-L399 VanDerWaalsContact O-N 3.13Å; L396-Q400 WeakPolarHBondContact O-CG 3.38Å; L396-Q400 PolarHBondContact O-N 3.3Å; L396-L414 HydrophobicContact CD1-CD2 4.45Å |
| 397 | K | 85.9 | Confident | 72.5 | Confident | 131 Ų | 131 | 80.2 Ų | 80.2 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.3 | -43.4 | 174.7 | -75.4 | -178.9 | 177.7 | -176.6 | 0 | 111.8 | K393 L399 Q400 V401 | K393-K397 WeakPolarHBondContact O-CG 3.45Å; K393-K397 PolarHBondContact O-N 2.74Å; K397-L399 VanDerWaalsContact C-N 3.28Å; K397-L399 PolarHBondContact O-N 3.42Å; K397-Q400 PolarHBondContact O-N 3.03Å; K397-V401 WeakPolarHBondContact O-CG2 3.01Å; K397-V401 PolarHBondContact O-N 3.44Å |
| 398 | C | 83.1 | Confident | 70.9 | Confident | 9 Ų | 9 | 76.5 Ų | 76.5 | 6% | 0.061 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.4 | -40.6 | 174.9 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | V355 L358 Q359 P394 F395 L396 I402 | V355-C398 HydrophobicContact CG1-CB 4.43Å; L358-C398 HydrophobicContact CD2-CB 4.28Å; Q359-C398 WeakPolarHBondContact CG-SG 3.32Å; P394-C398 PolarHBondContact O-N 3.18Å; P394-C398 VanDerWaalsContact O-N 3.08Å; F395-C398 WeakPolarHBondContact O-CB 3.27Å; F395-C398 PolarHBondContact O-N 3.15Å; L396-C398 VanDerWaalsContact C-N 3.31Å; L396-C398 PolarHBondContact O-N 2.83Å; C398-I402 WeakPolarHBondContact O-CD1 3.07Å; C398-I402 WeakPolarHBondContact O-CG1 3.43Å |
| 399 | L | 82.8 | Confident | 69.9 | Low | 10 Ų | 10 | 77 Ų | 77 | 5% | 0.052 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.4 | -43.3 | 176.9 | -70.4 | 164.8 | 0 | 0 | 0 | 111.6 | L358 I362 I382 F384 F395 L396 K397 V401 I402 F403 | L358-L399 HydrophobicContact CD1-CD2 4.41Å; L358-L399 HydrophobicContact CD2-CG 4.18Å; I362-L399 HydrophobicContact CD1-CD2 3.55Å; I362-L399 HydrophobicContact CD1-CG 4.28Å; I362-L399 HydrophobicContact CG1-CD2 4.17Å; I382-L399 HydrophobicContact CD1-CD2 3.81Å; I382-L399 HydrophobicContact CG2-CD2 4.09Å; F384-L399 HydrophobicContact CB-CD1 4.49Å; F384-L399 HydrophobicContact CD1-CD1 3.6Å; F384-L399 HydrophobicContact CD2-CD1 4.18Å; F384-L399 HydrophobicContact CE1-CD1 3.81Å; F384-L399 HydrophobicContact CE2-CD1 4.36Å; F384-L399 HydrophobicContact CG-CD1 3.82Å; F384-L399 HydrophobicContact CZ-CD1 4.21Å; F395-L399 WeakPolarHBondContact O-CG 3.39Å; F395-L399 PolarHBondContact O-N 3.31Å; L396-L399 WeakPolarHBondContact O-CB 3.43Å; L396-L399 PolarHBondContact O-N 3.44Å; L396-L399 VanDerWaalsContact O-N 3.13Å; K397-L399 VanDerWaalsContact C-N 3.28Å; K397-L399 PolarHBondContact O-N 3.42Å; L399-V401 PolarHBondContact O-N 2.7Å; L399-I402 PolarHBondContact O-N 3.31Å; L399-F403 HydrophobicContact CD2-CE2 4.41Å; L399-F403 VanDerWaalsContact O-CD2 3.3Å; L399-F403 WeakPolarHBondContact O-CD2 3.44Å; L399-F403 PolarHBondContact O-N 3.27Å |
| 400 | Q | 75.5 | Confident | 68.5 | Low | 39 Ų | 39 | 74 Ų | 74 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.1 | -49.6 | -178.9 | -76.4 | -168.5 | -46.6 | 0 | 0 | 113.4 | L396 K397 I402 F403 C404 F410 L413 | L396-Q400 WeakPolarHBondContact O-CG 3.38Å; L396-Q400 PolarHBondContact O-N 3.3Å; K397-Q400 PolarHBondContact O-N 3.03Å; Q400-I402 PolarHBondContact O-N 2.84Å; Q400-F403 PolarHBondContact O-N 3.46Å; Q400-C404 WeakPolarHBondContact O-CB 3.19Å; Q400-C404 PolarHBondContact O-N 2.75Å; Q400-C404 PolarHBondContact O-SG 2.83Å; Q400-F410 VanDerWaalsContact NE2-CB 3.32Å; Q400-F410 VanDerWaalsContact NE2-CD2 3.31Å; Q400-F410 VanDerWaalsContact OE1-CD2 3.28Å; Q400-L413 HydrophobicContact CG-CD1 4.04Å |
| 401 | V | 66.4 | Low | 67.2 | Low | 120 Ų | 120 | 75 Ų | 75 | 73% | 0.727 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -53.2 | -27.6 | -177.2 | 171.4 | 0 | 0 | 0 | 0 | 111.9 | K397 L399 | K397-V401 WeakPolarHBondContact O-CG2 3.01Å; K397-V401 PolarHBondContact O-N 3.44Å; L399-V401 PolarHBondContact O-N 2.7Å |
| 402 | I | 62.4 | Low | 65.6 | Low | 46 Ų | 46 | 75.4 Ų | 75.4 | 24% | 0.236 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -101.4 | -21.9 | -170.2 | -55.2 | 173.2 | 0 | 0 | 0 | 113.2 | I362 Q366 C398 L399 Q400 | I362-I402 HydrophobicContact CB-CD1 3.97Å; I362-I402 HydrophobicContact CD1-CD1 3.83Å; I362-I402 HydrophobicContact CG2-CB 3.9Å; I362-I402 HydrophobicContact CG2-CD1 3.61Å; I362-I402 HydrophobicContact CG2-CG1 4.33Å; I362-I402 HydrophobicContact CG2-CG2 3.33Å; Q366-I402 HydrophobicContact CG-CG2 4.28Å; C398-I402 WeakPolarHBondContact O-CD1 3.07Å; C398-I402 WeakPolarHBondContact O-CG1 3.43Å; L399-I402 PolarHBondContact O-N 3.31Å; Q400-I402 PolarHBondContact O-N 2.84Å |
| 403 | F | 63 | Low | 63.8 | Low | 35 Ų | 35 | 76.1 Ų | 76.1 | 15% | 0.154 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -113.5 | 12.2 | -177.6 | -68.8 | -83.4 | 0 | 0 | 0 | 114.1 | I362 F365 I382 L399 Q400 H405 E406 L407 | I362-F403 HydrophobicContact CG1-CE2 4.39Å; I362-F403 HydrophobicContact CG2-CE2 3.62Å; I362-F403 HydrophobicContact CG2-CZ 3.99Å; F365-F403 HydrophobicContact CD1-CE1 4.26Å; F365-F403 AromaticContact CD1-CZ 3.88Å; F365-F403 HydrophobicContact CD1-CZ 3.88Å; F365-F403 AromaticContact CE1-CE1 3.82Å; F365-F403 HydrophobicContact CE1-CE1 3.82Å; F365-F403 AromaticContact CE1-CZ 3.88Å; F365-F403 HydrophobicContact CE1-CZ 3.88Å; I382-F403 HydrophobicContact CD1-CD1 4.05Å; I382-F403 HydrophobicContact CD1-CD2 3.35Å; I382-F403 HydrophobicContact CD1-CE1 3.73Å; I382-F403 HydrophobicContact CD1-CE2 3.01Å; I382-F403 HydrophobicContact CD1-CG 3.89Å; I382-F403 HydrophobicContact CD1-CZ 3.21Å; I382-F403 HydrophobicContact CG1-CE1 4.3Å; I382-F403 HydrophobicContact CG1-CE2 4.17Å; I382-F403 HydrophobicContact CG1-CZ 3.93Å; L399-F403 HydrophobicContact CD2-CE2 4.41Å; L399-F403 VanDerWaalsContact O-CD2 3.3Å; L399-F403 WeakPolarHBondContact O-CD2 3.44Å; L399-F403 PolarHBondContact O-N 3.27Å; Q400-F403 PolarHBondContact O-N 3.46Å; F403-H405 PolarHBondContact O-N 3.39Å; F403-E406 PolarHBondContact O-N 2.86Å; F403-E406 VanDerWaalsContact O-N 3.11Å; F403-L407 HydrophobicContact CB-CD1 3.49Å; F403-L407 VanDerWaalsContact CB-CD1 3.49Å; F403-L407 HydrophobicContact CB-CG 3.81Å; F403-L407 HydrophobicContact CG-CD1 4.49Å |
| 404 | C | 50.1 | Low | 61.8 | Low | 91 Ų | 91 | 73.5 Ų | 73.5 | 62% | 0.615 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 25.2 | -174.6 | -100.1 | 0 | 0 | 0 | 0 | 117.3 | Q400 | Q400-C404 WeakPolarHBondContact O-CB 3.19Å; Q400-C404 PolarHBondContact O-N 2.75Å; Q400-C404 PolarHBondContact O-SG 2.83Å |
| 405 | H | 47.5 | Very low | 59.8 | Low | 195 Ų | 195 | 78.5 Ų | 78.5 | 90% | 0.903 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -16.3 | 159.2 | -79.8 | -64.9 | 0 | 0 | 0 | 113.8 | F403 | F403-H405 PolarHBondContact O-N 3.39Š|
| 406 | E | 45.6 | Very low | 57.8 | Low | 176 Ų | 176 | 82 Ų | 82 | 82% | 0.822 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.7 | 0.2 | -174.5 | -70.9 | -176.3 | 167.1 | 0 | 0 | 115.6 | F403 A408 | F403-E406 PolarHBondContact O-N 2.86Å; F403-E406 VanDerWaalsContact O-N 3.11Å; E406-A408 PolarHBondContact O-N 3.37Å |
| 407 | L | 43.1 | Very low | 55.7 | Low | 69 Ų | 69 | 88.7 Ų | 88.7 | 36% | 0.361 | 44% | 0.443 | S | S | . | . | trans | -79.9 | 119.8 | 176.3 | -73.5 | 176.5 | 0 | 0 | 0 | 110.9 | F403 L413 | F403-L407 HydrophobicContact CB-CD1 3.49Å; F403-L407 VanDerWaalsContact CB-CD1 3.49Å; F403-L407 HydrophobicContact CB-CG 3.81Å; F403-L407 HydrophobicContact CG-CD1 4.49Å; L407-L413 HydrophobicContact CD1-CD1 4.27Å; L407-L413 HydrophobicContact CD2-CD2 4.33Å | ||
| 408 | A | 43.5 | Very low | 53.3 | Low | 52 Ų | 52 | 85.8 Ų | 85.8 | 43% | 0.43 | 44% | 0.444 | S | S | . | . | trans | -48.6 | 154.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E406 E412 | E406-A408 PolarHBondContact O-N 3.37Å; A408-E412 HydrophobicContact CB-CB 3.95Å; A408-E412 HydrophobicContact CB-CG 4.43Å; A408-E412 WeakPolarHBondContact CB-OE2 3.22Å | ||
| 409 | S | 50.9 | Low | 51.2 | Low | 64 Ų | 64 | 88.7 Ų | 88.7 | 45% | 0.448 | 46% | 0.464 | S | S | . | . | trans | -45.7 | 150.8 | -170.5 | 63.2 | 0 | 0 | 0 | 0 | 113.2 | E411 E412 L413 | S409-E411 PolarHBondContact O-N 3.21Å; S409-E412 PolarHBondContact N-OE2 3.2Å; S409-E412 WeakPolarHBondContact O-CB 2.93Å; S409-E412 PolarHBondContact O-N 3.35Å; S409-E412 PolarHBondContact OG-OE2 2.76Å; S409-L413 PolarHBondContact O-N 3.2Å | ||
| 410 | F | 47.2 | Very low | 48.9 | Very low | 79 Ų | 79 | 94.1 Ų | 94.1 | 35% | 0.346 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -49.4 | -31.5 | 179.5 | -178.4 | -112.7 | 0 | 0 | 0 | 113.5 | Q400 L414 | Q400-F410 VanDerWaalsContact NE2-CB 3.32Å; Q400-F410 VanDerWaalsContact NE2-CD2 3.31Å; Q400-F410 VanDerWaalsContact OE1-CD2 3.28Å; F410-L414 HydrophobicContact CD1-CD1 4.17Å; F410-L414 HydrophobicContact CE1-CD1 3.86Å; F410-L414 HydrophobicContact CZ-CD1 4.33Å; F410-L414 PolarHBondContact O-N 2.92Å |
| 411 | E | 49.2 | Very low | 46.8 | Very low | 144 Ų | 144 | 99 Ų | 99 | 67% | 0.673 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.9 | -32.9 | 175.4 | -70 | -172.4 | 157.6 | 0 | 0 | 113.8 | S409 L414 K415 | S409-E411 PolarHBondContact O-N 3.21Å; E411-L414 PolarHBondContact O-N 3.11Å; E411-K415 PolarHBondContact O-N 3.18Å |
| 412 | E | 48.3 | Very low | 45.1 | Very low | 95 Ų | 95 | 99.4 Ų | 99.4 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.6 | -36 | 176 | -77.2 | 167.1 | 123.9 | 0 | 0 | 112.1 | A408 S409 L414 K415 I416 | A408-E412 HydrophobicContact CB-CB 3.95Å; A408-E412 HydrophobicContact CB-CG 4.43Å; A408-E412 WeakPolarHBondContact CB-OE2 3.22Å; S409-E412 PolarHBondContact N-OE2 3.2Å; S409-E412 WeakPolarHBondContact O-CB 2.93Å; S409-E412 PolarHBondContact O-N 3.35Å; S409-E412 PolarHBondContact OG-OE2 2.76Å; E412-L414 VanDerWaalsContact C-N 3.27Å; E412-L414 PolarHBondContact O-N 2.98Å; E412-K415 PolarHBondContact O-N 3.11Å; E412-I416 PolarHBondContact O-N 3.25Å |
| 413 | L | 48.4 | Very low | 43.5 | Very low | 36 Ų | 36 | 102.9 Ų | 102.9 | 19% | 0.188 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -63.7 | -32.9 | 172.2 | -77.5 | 167.3 | 0 | 0 | 0 | 112.3 | Q400 L407 S409 | Q400-L413 HydrophobicContact CG-CD1 4.04Å; L407-L413 HydrophobicContact CD1-CD1 4.27Å; L407-L413 HydrophobicContact CD2-CD2 4.33Å; S409-L413 PolarHBondContact O-N 3.2Å |
| 414 | L | 45.4 | Very low | 41.8 | Very low | 63 Ų | 63 | 108.2 Ų | 108.2 | 33% | 0.33 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.8 | -29.4 | 174.5 | -79 | 166.6 | 0 | 0 | 0 | 112.8 | L396 F410 E411 E412 I416 R417 | L396-L414 HydrophobicContact CD1-CD2 4.45Å; F410-L414 HydrophobicContact CD1-CD1 4.17Å; F410-L414 HydrophobicContact CE1-CD1 3.86Å; F410-L414 HydrophobicContact CZ-CD1 4.33Å; F410-L414 PolarHBondContact O-N 2.92Å; E411-L414 PolarHBondContact O-N 3.11Å; E412-L414 VanDerWaalsContact C-N 3.27Å; E412-L414 PolarHBondContact O-N 2.98Å; L414-I416 VanDerWaalsContact C-N 3.31Å; L414-I416 PolarHBondContact O-N 3.41Å; L414-R417 WeakPolarHBondContact O-CB 3.42Å; L414-R417 PolarHBondContact O-N 3.17Å; L414-R417 VanDerWaalsContact O-N 3.15Å |
| 415 | K | 44.1 | Very low | 40.7 | Very low | 159 Ų | 159 | 110 Ų | 110 | 69% | 0.691 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.1 | -29.3 | 176 | -75.4 | 176.6 | -179.7 | 172.8 | 0 | 113.1 | E411 E412 R417 A418 | E411-K415 PolarHBondContact O-N 3.18Å; E412-K415 PolarHBondContact O-N 3.11Å; K415-R417 PolarHBondContact O-N 2.96Å; K415-R417 VanDerWaalsContact O-N 3.17Å; K415-A418 PolarHBondContact O-N 3.29Å |
| 416 | I | 46.3 | Very low | 39.7 | Very low | 95 Ų | 95 | 107.6 Ų | 107.6 | 49% | 0.487 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -64.1 | -18.6 | 174.3 | -61.4 | 174 | 0 | 0 | 0 | 111.7 | E412 L414 A418 S419 F420 | E412-I416 PolarHBondContact O-N 3.25Å; L414-I416 VanDerWaalsContact C-N 3.31Å; L414-I416 PolarHBondContact O-N 3.41Å; I416-A418 PolarHBondContact O-N 2.67Å; I416-S419 PolarHBondContact O-N 3.38Å; I416-S419 PolarHBondContact O-OG 2.76Å; I416-S419 VanDerWaalsContact O-OG 3.1Å; I416-F420 HydrophobicContact CG2-CE2 4.45Å |
| 417 | R | 40.3 | Very low | 38.8 | Very low | 154 Ų | 154 | 108 Ų | 108 | 58% | 0.581 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -61.6 | -25.7 | 175 | -159.6 | 176.5 | -174.8 | -172.8 | -0.8 | 113.2 | L414 K415 | L414-R417 WeakPolarHBondContact O-CB 3.42Å; L414-R417 PolarHBondContact O-N 3.17Å; L414-R417 VanDerWaalsContact O-N 3.15Å; K415-R417 PolarHBondContact O-N 2.96Å; K415-R417 VanDerWaalsContact O-N 3.17Å |
| 418 | A | 35.7 | Very low | 38 | Very low | 71 Ų | 71 | 113.5 Ų | 113.5 | 59% | 0.587 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -84.3 | -16.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K415 I416 | K415-A418 PolarHBondContact O-N 3.29Å; I416-A418 PolarHBondContact O-N 2.67Å |
| 419 | S | 38.6 | Very low | 37.4 | Very low | 70 Ų | 70 | 123 Ų | 123 | 49% | 0.49 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89 | -15.5 | -175.4 | 52.1 | 0 | 0 | 0 | 0 | 114.5 | I416 | I416-S419 PolarHBondContact O-N 3.38Å; I416-S419 PolarHBondContact O-OG 2.76Å; I416-S419 VanDerWaalsContact O-OG 3.1Å |
| 420 | F | 34.5 | Very low | 36.7 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 54% | 0.544 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -98 | -12.4 | -177.8 | -83.1 | -83 | 0 | 0 | 0 | 115.1 | I416 N422 I423 | I416-F420 HydrophobicContact CG2-CE2 4.45Å; F420-N422 PolarHBondContact O-N 3.33Å; F420-I423 HydrophobicContact CD1-CD1 4.31Å; F420-I423 HydrophobicContact CE1-CD1 4.38Å; F420-I423 PolarHBondContact O-N 3.43Å |
| 421 | E | 32 | Very low | 36.1 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 66% | 0.664 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -22.8 | 173.7 | -76.9 | -176.6 | 166.8 | 0 | 0 | 112.3 | ||
| 422 | N | 29.9 | Very low | 35.4 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 68% | 0.684 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -6 | 178.3 | -75.5 | -32 | 0 | 0 | 0 | 115.2 | F420 | F420-N422 PolarHBondContact O-N 3.33Š|
| 423 | I | 29.7 | Very low | 34.6 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 61% | 0.605 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -18.8 | -176.5 | -63.7 | 175.6 | 0 | 0 | 0 | 112.2 | F420 | F420-I423 HydrophobicContact CD1-CD1 4.31Å; F420-I423 HydrophobicContact CE1-CD1 4.38Å; F420-I423 PolarHBondContact O-N 3.43Å |
| 424 | L | 26.5 | Very low | 33.8 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -99.9 | 3.5 | -177.7 | -81.9 | 161.2 | 0 | 0 | 0 | 115.2 | ||
| 425 | I | 28.5 | Very low | 33 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 66% | 0.656 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -94.7 | -6.8 | 178.5 | -62.3 | 177 | 0 | 0 | 0 | 112.6 | ||
| 426 | N | 25.9 | Very low | 32.2 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -105.2 | 17.4 | -172.7 | -85 | -28.1 | 0 | 0 | 0 | 116.9 | ||
| 427 | E | 27.4 | Very low | 31.1 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -121.3 | 20.2 | 172.3 | -74.7 | -165.7 | 162.3 | 0 | 0 | 114.7 | ||
| 428 | H | 26.6 | Very low | 30.3 | Very low | 185 Ų | 185 | 141.1 Ų | 141.1 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | trans | -126.9 | 71.2 | 170.1 | -77.6 | -19.8 | 0 | 0 | 0 | 111.6 | ||||
| 429 | L | 29.1 | Very low | 29.9 | Very low | 251 Ų | 251 | 147.5 Ų | 147.5 | 100% | 1.314 | 75% | 0.747 | S | S | * | * | trans | -134.3 | 0 | 152.5 | -87.7 | 169.6 | 0 | 0 | 0 | 109.4 |
Retrieved 429 of 429 residues in 282.5 ms
(Link to these results)