| 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 | 40.2 | Very low | 43 | Very low | 250 Ų | 250 | 151.5 Ų | 151.5 | 100% | 1.232 | 85% | 0.853 | S | S | * | * | 0 | 121.2 | 0 | -71.9 | -177.7 | 177.8 | 0 | 0 | 107.3 | |||||
| 2 | A | 35.3 | Very low | 43.3 | Very low | 102 Ų | 102 | 155.1 Ų | 155.1 | 84% | 0.843 | 85% | 0.852 | S | S | * | * | trans | -83.6 | 155.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3 | S | 36.8 | Very low | 43.7 | Very low | 124 Ų | 124 | 156.7 Ų | 156.7 | 87% | 0.867 | 85% | 0.85 | S | S | * | * | trans | 134.2 | 126.9 | 165.8 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 4 | A | 46.5 | Very low | 44.1 | Very low | 87 Ų | 87 | 151.8 Ų | 151.8 | 72% | 0.719 | 83% | 0.833 | S | S | * | * | cis | -151.1 | 139 | 3.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | D6 | A4-D6 PolarHBondContact O-N 3.46Š| ||
| 5 | T | 46.1 | Very low | 44.8 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -71.7 | 115.1 | 168.5 | 42.4 | 0 | 0 | 0 | 0 | 109.3 | S7 | T5-S7 PolarHBondContact O-N 2.86Å; T5-S7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | D | 43.6 | Very low | 45.8 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | -76.2 | 94.1 | 177.2 | -165.2 | 2.3 | 0 | 0 | 0 | 110.2 | A4 R8 | A4-D6 PolarHBondContact O-N 3.46Å; D6-R8 VanDerWaalsContact C-N 3.26Å; D6-R8 PolarHBondContact O-N 2.98Å; D6-R8 VanDerWaalsContact O-N 3.15Å; D6-R8 IonicContact OD1-NE 2.76Å | ||
| 7 | S | 44.6 | Very low | 47.2 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -85.9 | 55.8 | 178.7 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | T5 | T5-S7 PolarHBondContact O-N 2.86Å; T5-S7 VanDerWaalsContact O-N 3.14Å | ||
| 8 | R | 44.9 | Very low | 49.2 | Very low | 216 Ų | 216 | 142.9 Ų | 142.9 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | -117.7 | 14.7 | 176 | -67.5 | -164.5 | -146.2 | -162.2 | 4.5 | 115.7 | D6 | D6-R8 VanDerWaalsContact C-N 3.26Å; D6-R8 PolarHBondContact O-N 2.98Å; D6-R8 VanDerWaalsContact O-N 3.15Å; D6-R8 IonicContact OD1-NE 2.76Å | ||
| 9 | Y | 45.2 | Very low | 51.3 | Low | 253 Ų | 253 | 139.1 Ų | 139.1 | 99% | 0.992 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -107.9 | 84.9 | 169.2 | -112.2 | -93.2 | 0 | 0 | 0 | 109.3 | ||
| 10 | G | 43.5 | Very low | 53.3 | Low | 70 Ų | 70 | 135.9 Ų | 135.9 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -172.9 | -5.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 11 | Q | 46.9 | Very low | 55.3 | Low | 178 Ų | 178 | 133.9 Ų | 133.9 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -116.8 | 10.1 | -174.8 | -87.6 | -176 | -1 | 0 | 0 | 116 | ||
| 12 | K | 45.7 | Very low | 57.9 | Low | 195 Ų | 195 | 126 Ų | 126 | 85% | 0.848 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -96.5 | -12.4 | 179.5 | -90.4 | -175.9 | 175.1 | 177.9 | 0 | 116.1 | ||
| 13 | E | 48.4 | Very low | 60.8 | Low | 176 Ų | 176 | 121.2 Ų | 121.2 | 82% | 0.822 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -92.5 | -29.4 | -176.7 | -69.3 | -167.2 | 158.3 | 0 | 0 | 114.3 | S15 | E13-S15 PolarHBondContact O-N 3.05Š|
| 14 | S | 49.6 | Very low | 63.7 | Low | 88 Ų | 88 | 117 Ų | 117 | 62% | 0.615 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -75 | -24.7 | -176.8 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | D16 | S14-D16 VanDerWaalsContact C-N 3.29Å; S14-D16 PolarHBondContact O-N 3.38Å |
| 15 | S | 55.4 | Low | 66.1 | Low | 64 Ų | 64 | 112.8 Ų | 112.8 | 45% | 0.448 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -67.6 | -31.7 | 179.5 | 62.1 | 0 | 0 | 0 | 0 | 111.4 | E13 Q17 N18 R70 | E13-S15 PolarHBondContact O-N 3.05Å; S15-Q17 VanDerWaalsContact C-N 3.29Å; S15-Q17 PolarHBondContact O-N 3.45Å; S15-N18 PolarHBondContact O-N 3.22Å; S15-R70 PolarHBondContact O-NH1 3.08Å |
| 16 | D | 60.4 | Low | 68.5 | Low | 94 Ų | 94 | 106.2 Ų | 106.2 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -74.5 | -17.2 | -171.9 | -120.9 | 2.7 | 0 | 0 | 0 | 114.1 | S14 R70 K72 | S14-D16 VanDerWaalsContact C-N 3.29Å; S14-D16 PolarHBondContact O-N 3.38Å; D16-R70 IonicContact OD1-NH2 2.68Å; D16-R70 PolarHBondContact OD1-NH2 3.03Å; D16-K72 WeakPolarHBondContact O-CE 3.42Å; D16-K72 PolarHBondContact O-NZ 2.84Å |
| 17 | Q | 69.3 | Low | 71.1 | Confident | 159 Ų | 159 | 99.9 Ų | 99.9 | 74% | 0.743 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -79.7 | -21.3 | 175.8 | -66.1 | -167.4 | 4 | 0 | 0 | 113.7 | S15 F19 | S15-Q17 VanDerWaalsContact C-N 3.29Å; S15-Q17 PolarHBondContact O-N 3.45Å; Q17-F19 VanDerWaalsContact O-CD1 3.25Å; Q17-F19 WeakPolarHBondContact O-CD1 3.47Å; Q17-F19 PolarHBondContact O-N 3.32Å |
| 18 | N | 83.6 | Confident | 73.6 | Confident | 131 Ų | 131 | 94.4 Ų | 94.4 | 70% | 0.701 | 46% | 0.461 | S | S | * | . | trans | -86.7 | 104.3 | -173 | -134.6 | 22.6 | 0 | 0 | 0 | 110.5 | S15 R70 | S15-N18 PolarHBondContact O-N 3.22Å; N18-R70 VanDerWaalsContact O-CD 3.29Å; N18-R70 WeakPolarHBondContact O-CD 3.47Å; N18-R70 PolarHBondContact O-NH1 3.02Å | ||
| 19 | F | 88.4 | Confident | 76 | Confident | 70 Ų | 70 | 84.1 Ų | 84.1 | 31% | 0.307 | 42% | 0.423 | S | S | . | . | trans | -137.4 | 149.5 | 173.1 | 61.2 | -90.1 | 0 | 0 | 0 | 109.7 | Q17 Y21 M22 R70 K72 | Q17-F19 VanDerWaalsContact O-CD1 3.25Å; Q17-F19 WeakPolarHBondContact O-CD1 3.47Å; Q17-F19 PolarHBondContact O-N 3.32Å; F19-Y21 VanDerWaalsContact CD2-O 3.3Å; F19-Y21 WeakPolarHBondContact CD2-O 3.24Å; F19-M22 HydrophobicContact CD2-CB 4.09Å; F19-M22 HydrophobicContact CE2-CB 3.5Å; F19-M22 HydrophobicContact CE2-CE 4.25Å; F19-M22 HydrophobicContact CE2-SD 4.49Å; F19-M22 HydrophobicContact CZ-CB 4.16Å; F19-M22 HydrophobicContact CZ-CE 3.97Å; F19-M22 HydrophobicContact CZ-SD 4.21Å; F19-R70 HydrophobicContact CB-CG 4.49Å; F19-K72 HydrophobicContact CB-CD 4.17Å; F19-K72 HydrophobicContact CB-CG 3.88Å; F19-K72 HydrophobicContact CD1-CD 3.47Å; F19-K72 VanDerWaalsContact CD1-CD 3.47Å; F19-K72 VanDerWaalsContact CD1-CE 3.43Å; F19-K72 HydrophobicContact CD1-CG 4.12Å; F19-K72 HydrophobicContact CE1-CD 3.93Å; F19-K72 HydrophobicContact CG-CB 4.47Å; F19-K72 HydrophobicContact CG-CD 3.79Å; F19-K72 HydrophobicContact CG-CG 3.91Å | ||
| 20 | D | 92.6 | Very high | 78.3 | Confident | 75 Ų | 75 | 73.6 Ų | 73.6 | 40% | 0.401 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -79.5 | -42.3 | 178.5 | -63 | -94.8 | 0 | 0 | 0 | 111.3 | K69 R70 | D20-K69 HydrophobicContact CB-CB 4.17Å; D20-K69 HydrophobicContact CB-CD 3.81Å; D20-K69 VanDerWaalsContact CG-CD 3.41Å; D20-K69 VanDerWaalsContact OD1-CD 3.26Å; D20-K69 WeakPolarHBondContact OD1-CD 3.38Å; D20-K69 IonicContact OD1-NZ 3.65Å; D20-K69 PolarHBondContact OD1-NZ 2.76Å; D20-K69 VanDerWaalsContact OD1-NZ 3.09Å; D20-K69 WeakPolarHBondContact OD2-CA 3.39Å; D20-R70 PolarHBondContact N-O 3.38Å; D20-R70 PolarHBondContact OD2-N 3.05Å |
| 21 | Y | 94.5 | Very high | 80.7 | Confident | 93 Ų | 93 | 71.4 Ų | 71.4 | 37% | 0.365 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151.1 | -175.6 | -59.1 | -66.2 | 0 | 0 | 0 | 112.2 | F19 F23 K69 R70 I71 K72 M187 | F19-Y21 VanDerWaalsContact CD2-O 3.3Å; F19-Y21 WeakPolarHBondContact CD2-O 3.24Å; Y21-F23 HydrophobicContact CG-CE1 4.16Å; Y21-F23 HydrophobicContact CG-CZ 4.37Å; Y21-K69 HydrophobicContact CD2-CB 4.19Å; Y21-K69 HydrophobicContact CD2-CG 4.46Å; Y21-K69 HydrophobicContact CE2-CB 4.18Å; Y21-K69 HydrophobicContact CE2-CD 4.09Å; Y21-K69 HydrophobicContact CE2-CG 3.94Å; Y21-R70 PolarHBondContact N-O 2.87Å; Y21-I71 HydrophobicContact CD2-CG1 4.29Å; Y21-I71 CarbonylContact O-C 3.58Å; Y21-I71 WeakPolarHBondContact O-CA 3.13Å; Y21-K72 PolarHBondContact O-N 3.2Å; Y21-M187 HydrophobicContact CD1-CE 4.39Å |
| 22 | M | 94.9 | Very high | 82.9 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 42% | 0.424 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 117.8 | 173.9 | 175.3 | 165.7 | 52.6 | 0 | 0 | 109.7 | F19 K72 Q74 | F19-M22 HydrophobicContact CD2-CB 4.09Å; F19-M22 HydrophobicContact CE2-CB 3.5Å; F19-M22 HydrophobicContact CE2-CE 4.25Å; F19-M22 HydrophobicContact CE2-SD 4.49Å; F19-M22 HydrophobicContact CZ-CB 4.16Å; F19-M22 HydrophobicContact CZ-CE 3.97Å; F19-M22 HydrophobicContact CZ-SD 4.21Å; M22-K72 CarbonylContact C-O 3.5Å; M22-K72 VanDerWaalsContact CA-O 3.24Å; M22-K72 WeakPolarHBondContact CA-O 3.47Å; M22-K72 HydrophobicContact CB-CB 4.45Å; M22-K72 HydrophobicContact CG-CB 4.46Å; M22-Q74 HydrophobicContact CG-CG 3.97Å; M22-Q74 VanDerWaalsContact SD-CD 3.5Å; M22-Q74 HydrophobicContact SD-CG 4.04Å; M22-Q74 PolarHBondContact SD-NE2 3.08Å; M22-Q74 VanDerWaalsContact SD-NE2 3.36Å |
| 23 | F | 96.5 | Very high | 85.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.8 | -176.4 | -61.8 | -12.7 | 0 | 0 | 0 | 111.1 | Y21 I71 K72 L73 Q74 M96 V180 I183 M187 | Y21-F23 HydrophobicContact CG-CE1 4.16Å; Y21-F23 HydrophobicContact CG-CZ 4.37Å; F23-I71 HydrophobicContact CD1-CG2 4.4Å; F23-I71 HydrophobicContact CD2-CG2 3.71Å; F23-I71 HydrophobicContact CE1-CG2 4.46Å; F23-I71 HydrophobicContact CE2-CD1 4.1Å; F23-I71 HydrophobicContact CE2-CG2 3.8Å; F23-I71 HydrophobicContact CG-CG2 4.01Å; F23-I71 HydrophobicContact CZ-CD1 4.32Å; F23-I71 HydrophobicContact CZ-CG2 4.15Å; F23-K72 PolarHBondContact N-O 3.09Å; F23-L73 HydrophobicContact CB-CD2 4.01Å; F23-L73 HydrophobicContact CD2-CD2 4.11Å; F23-L73 HydrophobicContact CG-CD2 4.43Å; F23-Q74 PolarHBondContact O-N 3.26Å; F23-M96 HydrophobicContact CB-SD 4.09Å; F23-M96 HydrophobicContact CD1-CE 3.56Å; F23-M96 HydrophobicContact CD1-SD 3.53Å; F23-M96 VanDerWaalsContact CD1-SD 3.53Å; F23-M96 HydrophobicContact CE1-CE 3.8Å; F23-M96 HydrophobicContact CE1-SD 4.35Å; F23-M96 HydrophobicContact CG-CE 4.38Å; F23-M96 HydrophobicContact CG-SD 4.1Å; F23-V180 HydrophobicContact CD2-CG1 4.3Å; F23-V180 HydrophobicContact CD2-CG2 4.29Å; F23-V180 HydrophobicContact CE2-CG1 3.94Å; F23-I183 HydrophobicContact CD1-CG2 4.12Å; F23-I183 HydrophobicContact CD2-CB 4.27Å; F23-I183 HydrophobicContact CD2-CD1 4.25Å; F23-I183 HydrophobicContact CD2-CG2 3.85Å; F23-I183 HydrophobicContact CE1-CG2 4.02Å; F23-I183 HydrophobicContact CE2-CB 4.13Å; F23-I183 HydrophobicContact CE2-CG2 3.71Å; F23-I183 HydrophobicContact CG-CG2 4.07Å; F23-I183 HydrophobicContact CZ-CG2 3.84Å; F23-M187 HydrophobicContact CE1-CE 3.31Å; F23-M187 HydrophobicContact CE1-SD 3.95Å; F23-M187 HydrophobicContact CE2-CE 4.44Å; F23-M187 HydrophobicContact CZ-CE 3.26Å; F23-M187 HydrophobicContact CZ-SD 4.44Å |
| 24 | K | 96.2 | Very high | 87.6 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 15% | 0.148 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 114.9 | 172.4 | -169.4 | -173.9 | -172.3 | -167 | 0 | 109.4 | L26 Y91 R93 G94 A95 M96 G97 | K24-L26 HydrophobicContact CD-CD1 4.3Å; K24-L26 HydrophobicContact CG-CD1 4.01Å; K24-Y91 PolarHBondContact NZ-O 2.96Å; K24-R93 PolarHBondContact NZ-O 2.98Å; K24-G94 WeakPolarHBondContact CB-O 3.42Å; K24-G94 VanDerWaalsContact CD-O 3.26Å; K24-G94 WeakPolarHBondContact CD-O 3.35Å; K24-A95 HydrophobicContact CD-CB 4.47Å; K24-A95 CarbonylContact O-C 3.57Å; K24-M96 PolarHBondContact O-N 3.31Å; K24-G97 PolarHBondContact O-N 2.89Å |
| 25 | I | 97.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.7 | 179.6 | -63.6 | 171.3 | 0 | 0 | 0 | 108.8 | L73 Q74 I75 W76 G97 I99 L179 V180 I183 | I25-L73 HydrophobicContact CD1-CD1 4.33Å; I25-L73 HydrophobicContact CD1-CD2 4.07Å; I25-Q74 PolarHBondContact N-O 3.26Å; I25-I75 CarbonylContact O-C 3.49Å; I25-I75 WeakPolarHBondContact O-CA 3.46Å; I25-W76 PolarHBondContact O-N 3.02Å; I25-G97 CarbonylContact C-O 3.59Å; I25-G97 VanDerWaalsContact CA-O 3.3Å; I25-G97 WeakPolarHBondContact CA-O 3.47Å; I25-I99 HydrophobicContact CG2-CD1 4.41Å; I25-I99 HydrophobicContact CG2-CG1 4.38Å; I25-L179 HydrophobicContact CD1-CD2 4.1Å; I25-L179 HydrophobicContact CG1-CD2 4.16Å; I25-L179 HydrophobicContact CG2-CD2 3.69Å; I25-V180 HydrophobicContact CD1-CG2 4.48Å; I25-I183 HydrophobicContact CG1-CD1 4.44Å |
| 26 | L | 97.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.7 | 173.7 | -84.8 | 63.5 | 0 | 0 | 0 | 110.1 | K24 I28 W76 Y92 A95 G97 F98 I99 | K24-L26 HydrophobicContact CD-CD1 4.3Å; K24-L26 HydrophobicContact CG-CD1 4.01Å; L26-I28 HydrophobicContact CB-CG2 4.2Å; L26-W76 HydrophobicContact CD1-CB 4.04Å; L26-W76 HydrophobicContact CD1-CG 4.11Å; L26-W76 HydrophobicContact CG-CB 3.95Å; L26-Y92 HydrophobicContact CD2-CD1 3.5Å; L26-Y92 HydrophobicContact CD2-CE1 3.9Å; L26-Y92 HydrophobicContact CD2-CG 4.5Å; L26-A95 HydrophobicContact CD1-CB 3.52Å; L26-A95 HydrophobicContact CD2-CB 4.26Å; L26-A95 HydrophobicContact CG-CB 4.36Å; L26-G97 PolarHBondContact N-O 2.95Å; L26-F98 HydrophobicContact CB-CD1 3.8Å; L26-F98 HydrophobicContact CB-CE1 3.92Å; L26-F98 HydrophobicContact CD2-CE1 3.8Å; L26-F98 HydrophobicContact CD2-CZ 4.47Å; L26-F98 HydrophobicContact CG-CE1 4.42Å; L26-F98 CarbonylContact O-C 3.59Å; L26-F98 WeakPolarHBondContact O-CA 3.29Å; L26-I99 PolarHBondContact O-N 3.05Å |
| 27 | I | 97.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.3 | 167.9 | -45.5 | 177.9 | 0 | 0 | 0 | 107.5 | K35 L39 I75 W76 T78 I99 M101 F176 | I27-K35 HydrophobicContact CB-CB 4.45Å; I27-K35 HydrophobicContact CG2-CB 3.7Å; I27-K35 HydrophobicContact CG2-CD 4.11Å; I27-K35 HydrophobicContact CG2-CG 3.83Å; I27-L39 HydrophobicContact CD1-CB 3.91Å; I27-I75 HydrophobicContact CD1-CG2 3.87Å; I27-I75 HydrophobicContact CG1-CG2 3.96Å; I27-W76 PolarHBondContact N-O 3.25Å; I27-T78 PolarHBondContact O-N 2.94Å; I27-T78 PolarHBondContact O-OG1 3.35Å; I27-I99 WeakPolarHBondContact CA-O 3.49Å; I27-I99 HydrophobicContact CG1-CB 4.42Å; I27-I99 HydrophobicContact CG1-CD1 4.49Å; I27-I99 HydrophobicContact CG2-CB 4.26Å; I27-I99 HydrophobicContact CG2-CG2 4.25Å; I27-M101 HydrophobicContact CG2-CE 4.44Å; I27-F176 HydrophobicContact CD1-CE1 4.46Å; I27-F176 HydrophobicContact CD1-CZ 3.9Å |
| 28 | I | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 166 | -174.1 | 62.9 | 162.9 | 0 | 0 | 0 | 111.3 | L26 K35 T78 T88 Y92 F98 I99 L100 M101 W116 I120 | L26-I28 HydrophobicContact CB-CG2 4.2Å; I28-K35 VanDerWaalsContact C-CD 3.43Å; I28-T78 HydrophobicContact CG2-CG2 4.1Å; I28-T88 HydrophobicContact CG2-CG2 4.37Å; I28-Y92 WeakPolarHBondContact CD1-OH 3.3Å; I28-Y92 HydrophobicContact CG2-CE1 3.96Å; I28-F98 HydrophobicContact CD1-CD1 3.99Å; I28-F98 HydrophobicContact CG1-CD1 4.36Å; I28-F98 HydrophobicContact CG2-CD1 4.42Å; I28-I99 PolarHBondContact N-O 3.24Å; I28-L100 HydrophobicContact CD1-CD1 4.01Å; I28-L100 HydrophobicContact CG1-CB 4.26Å; I28-L100 HydrophobicContact CG1-CD1 3.87Å; I28-M101 PolarHBondContact O-N 2.97Å; I28-W116 HydrophobicContact CB-CE3 4.36Å; I28-W116 HydrophobicContact CD1-CB 4.4Å; I28-W116 HydrophobicContact CD1-CE3 4.21Å; I28-I120 HydrophobicContact CD1-CD1 3.62Å; I28-I120 HydrophobicContact CD1-CG1 3.68Å |
| 29 | G | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | 134.3 | 171.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K35 G80 M101 | G29-K35 PolarHBondContact O-NZ 2.84Å; G29-G80 VanDerWaalsContact O-CA 3.24Å; G29-G80 WeakPolarHBondContact O-CA 3.43Å; G29-M101 WeakPolarHBondContact CA-O 3.31Å | ||
| 30 | N | 94.8 | Very high | 95.8 | Very high | 32 Ų | 32 | 26.5 Ų | 26.5 | 17% | 0.171 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -57.7 | 164.5 | -176.7 | -78.3 | 18.6 | 0 | 0 | 0 | 113.1 | V33 K35 A112 W116 | N30-V33 HydrophobicContact CB-CG1 3.99Å; N30-V33 VanDerWaalsContact O-CG2 3.31Å; N30-V33 WeakPolarHBondContact O-CG2 3.1Å; N30-K35 PolarHBondContact O-NZ 2.87Å; N30-A112 VanDerWaalsContact OD1-CB 3.3Å; N30-A112 WeakPolarHBondContact OD1-CB 3.24Å; N30-W116 PolarHBondContact OD1-NE1 2.85Å |
| 31 | S | 92.9 | Very high | 96.1 | Very high | 24 Ų | 24 | 24.8 Ų | 24.8 | 17% | 0.168 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 151.3 | 171.2 | -167.3 | 0 | 0 | 0 | 0 | 110.6 | V33 G80 Q81 | S31-V33 PolarHBondContact O-N 3.32Å; S31-G80 PolarHBondContact N-O 2.98Å; S31-Q81 PolarHBondContact OG-NE2 2.94Å |
| 32 | S | 93.4 | Very high | 96.2 | Very high | 47 Ų | 47 | 21.3 Ų | 21.3 | 33% | 0.329 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 1.4 | 175.3 | 78.5 | 0 | 0 | 0 | 0 | 118.5 | G34 K136 | S32-G34 PolarHBondContact O-N 3.09Å; S32-K136 WeakPolarHBondContact O-CE 3.46Å; S32-K136 PolarHBondContact O-NZ 3.47Å |
| 33 | V | 96.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -69.9 | -13.3 | 177 | -54.4 | 0 | 0 | 0 | 0 | 114.1 | N30 S31 K35 M101 D103 N135 | N30-V33 HydrophobicContact CB-CG1 3.99Å; N30-V33 VanDerWaalsContact O-CG2 3.31Å; N30-V33 WeakPolarHBondContact O-CG2 3.1Å; S31-V33 PolarHBondContact O-N 3.32Å; V33-K35 HydrophobicContact CG2-CD 4.29Å; V33-K35 HydrophobicContact CG2-CG 3.63Å; V33-M101 HydrophobicContact CB-CG 4.4Å; V33-M101 HydrophobicContact CG2-CB 4Å; V33-M101 HydrophobicContact CG2-CG 3.95Å; V33-M101 HydrophobicContact CG2-SD 4.25Å; V33-D103 HydrophobicContact CB-CB 4.15Å; V33-D103 HydrophobicContact CG1-CB 4.1Å; V33-N135 PolarHBondContact O-ND2 3.29Å |
| 34 | G | 96.7 | Very high | 96.1 | Very high | 12 Ų | 12 | 21.8 Ų | 21.8 | 12% | 0.124 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 104.5 | 15.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | S32 T36 S37 F38 | S32-G34 PolarHBondContact O-N 3.09Å; G34-T36 PolarHBondContact O-N 2.74Å; G34-S37 PolarHBondContact O-N 3.44Å; G34-F38 WeakPolarHBondContact O-CB 3.42Å; G34-F38 PolarHBondContact O-N 3.19Å |
| 35 | K | 96.1 | Very high | 96 | Very high | 10 Ų | 10 | 25.4 Ų | 25.4 | 4% | 0.043 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -49.6 | -52.3 | 179.7 | -55.8 | -172.3 | -62.7 | -74.8 | 0 | 113.7 | I27 I28 G29 N30 V33 F38 L39 D77 T78 M101 | I27-K35 HydrophobicContact CB-CB 4.45Å; I27-K35 HydrophobicContact CG2-CB 3.7Å; I27-K35 HydrophobicContact CG2-CD 4.11Å; I27-K35 HydrophobicContact CG2-CG 3.83Å; I28-K35 VanDerWaalsContact C-CD 3.43Å; G29-K35 PolarHBondContact O-NZ 2.84Å; N30-K35 PolarHBondContact O-NZ 2.87Å; V33-K35 HydrophobicContact CG2-CD 4.29Å; V33-K35 HydrophobicContact CG2-CG 3.63Å; K35-F38 WeakPolarHBondContact O-CB 3.41Å; K35-F38 PolarHBondContact O-N 3.34Å; K35-L39 PolarHBondContact O-N 3.17Å; K35-D77 VanDerWaalsContact CB-OD1 3.24Å; K35-D77 WeakPolarHBondContact CB-OD1 3.44Å; K35-T78 WeakPolarHBondContact CE-O 3.41Å; K35-M101 HydrophobicContact CG-CB 4.41Å; K35-M101 HydrophobicContact CG-SD 4.31Å |
| 36 | T | 95.6 | Very high | 95.8 | Very high | 33 Ų | 33 | 27.6 Ų | 27.6 | 20% | 0.202 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 179.4 | -47.9 | 0 | 0 | 0 | 0 | 112 | G34 F38 L39 F40 T54 D77 | G34-T36 PolarHBondContact O-N 2.74Å; T36-F38 VanDerWaalsContact C-N 3.26Å; T36-F38 PolarHBondContact O-N 3.23Å; T36-L39 PolarHBondContact O-N 3.12Å; T36-F40 HydrophobicContact CG2-CD2 3.8Å; T36-F40 HydrophobicContact CG2-CE2 3.49Å; T36-F40 VanDerWaalsContact CG2-CE2 3.49Å; T36-F40 HydrophobicContact CG2-CZ 4.46Å; T36-F40 WeakPolarHBondContact O-CD2 3.2Å; T36-F40 PolarHBondContact O-N 3.46Å; T36-T54 PolarHBondContact OG1-OG1 3Å; T36-D77 WeakPolarHBondContact CA-OD2 3.43Å; T36-D77 VanDerWaalsContact CB-OD2 3.24Å; T36-D77 WeakPolarHBondContact CB-OD2 3.45Å; T36-D77 WeakPolarHBondContact CG2-OD2 3.49Å; T36-D77 PolarHBondContact OG1-OD2 3.25Å |
| 37 | S | 96.6 | Very high | 95.7 | Very high | 34 Ų | 34 | 31 Ų | 31 | 24% | 0.238 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -35.8 | 176 | -51.8 | 0 | 0 | 0 | 0 | 111.9 | G34 F40 R41 | G34-S37 PolarHBondContact O-N 3.44Å; S37-F40 PolarHBondContact O-N 3.37Å; S37-R41 WeakPolarHBondContact O-CB 3.34Å; S37-R41 PolarHBondContact O-N 3.19Å |
| 38 | F | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.6 | -43.6 | 176.7 | -161.9 | -98.3 | 0 | 0 | 0 | 111.6 | G34 K35 T36 R41 Y42 I99 M101 A164 A166 V172 T175 F176 | G34-F38 WeakPolarHBondContact O-CB 3.42Å; G34-F38 PolarHBondContact O-N 3.19Å; K35-F38 WeakPolarHBondContact O-CB 3.41Å; K35-F38 PolarHBondContact O-N 3.34Å; T36-F38 VanDerWaalsContact C-N 3.26Å; T36-F38 PolarHBondContact O-N 3.23Å; F38-R41 PolarHBondContact O-N 3.33Å; F38-Y42 WeakPolarHBondContact O-CB 3.3Å; F38-Y42 PolarHBondContact O-N 3.41Å; F38-I99 HydrophobicContact CE1-CD1 4.44Å; F38-M101 HydrophobicContact CB-CE 3.77Å; F38-M101 HydrophobicContact CB-SD 4.43Å; F38-M101 HydrophobicContact CD1-CE 3.7Å; F38-M101 HydrophobicContact CD2-CE 3.68Å; F38-M101 HydrophobicContact CE1-CE 4.13Å; F38-M101 HydrophobicContact CE2-CE 4.12Å; F38-M101 HydrophobicContact CG-CE 3.45Å; F38-M101 VanDerWaalsContact CG-CE 3.45Å; F38-M101 HydrophobicContact CZ-CE 4.32Å; F38-A164 HydrophobicContact CE2-CB 3.62Å; F38-A164 HydrophobicContact CZ-CB 4.23Å; F38-A166 HydrophobicContact CB-CB 4.34Å; F38-A166 HydrophobicContact CD2-CB 4.2Å; F38-V172 HydrophobicContact CD1-CG1 4.37Å; F38-V172 HydrophobicContact CD2-CG1 4.32Å; F38-V172 HydrophobicContact CD2-CG2 4.03Å; F38-V172 HydrophobicContact CE1-CG1 4.19Å; F38-V172 HydrophobicContact CE2-CB 4.11Å; F38-V172 HydrophobicContact CE2-CG1 4.13Å; F38-V172 HydrophobicContact CE2-CG2 3.69Å; F38-V172 HydrophobicContact CG-CG1 4.44Å; F38-V172 HydrophobicContact CZ-CB 4.22Å; F38-V172 HydrophobicContact CZ-CG1 4.07Å; F38-V172 HydrophobicContact CZ-CG2 4.29Å; F38-T175 HydrophobicContact CE1-CG2 4.27Å; F38-T175 HydrophobicContact CZ-CG2 4.23Å; F38-F176 AromaticContact CD1-CE2 3.57Å; F38-F176 HydrophobicContact CD1-CE2 3.57Å; F38-F176 HydrophobicContact CD1-CZ 4.08Å; F38-F176 HydrophobicContact CE1-CD2 4.02Å; F38-F176 AromaticContact CE1-CE2 3.42Å; F38-F176 HydrophobicContact CE1-CE2 3.42Å; F38-F176 VanDerWaalsContact CE1-CE2 3.42Å; F38-F176 HydrophobicContact CE1-CZ 4.19Å |
| 39 | L | 97 | Very high | 94.9 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 173.2 | 177.6 | 55.7 | 0 | 0 | 0 | 111.6 | I27 K35 T36 R41 Y42 A43 K60 I75 D77 | I27-L39 HydrophobicContact CD1-CB 3.91Å; K35-L39 PolarHBondContact O-N 3.17Å; T36-L39 PolarHBondContact O-N 3.12Å; L39-R41 PolarHBondContact O-N 2.91Å; L39-Y42 PolarHBondContact O-N 2.83Å; L39-A43 HydrophobicContact CD1-CB 4.27Å; L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 2.92Å; L39-K60 HydrophobicContact CD1-CB 4.33Å; L39-K60 HydrophobicContact CD1-CD 4.4Å; L39-K60 HydrophobicContact CD2-CB 4.11Å; L39-K60 HydrophobicContact CD2-CD 4.48Å; L39-K60 HydrophobicContact CG-CD 4.32Å; L39-I75 HydrophobicContact CD1-CB 4.01Å; L39-I75 HydrophobicContact CD1-CD1 3.91Å; L39-I75 HydrophobicContact CD1-CG2 3.69Å; L39-I75 HydrophobicContact CD2-CG2 4.42Å; L39-D77 HydrophobicContact CD2-CB 3.72Å |
| 40 | F | 95.6 | Very high | 94.3 | Very high | 73 Ų | 73 | 44.1 Ų | 44.1 | 32% | 0.32 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 179 | -78.6 | -49.2 | 0 | 0 | 0 | 112.6 | T36 S37 Y42 A43 D44 D45 S46 | T36-F40 HydrophobicContact CG2-CD2 3.8Å; T36-F40 HydrophobicContact CG2-CE2 3.49Å; T36-F40 VanDerWaalsContact CG2-CE2 3.49Å; T36-F40 HydrophobicContact CG2-CZ 4.46Å; T36-F40 WeakPolarHBondContact O-CD2 3.2Å; T36-F40 PolarHBondContact O-N 3.46Å; S37-F40 PolarHBondContact O-N 3.37Å; F40-Y42 PolarHBondContact O-N 3.09Å; F40-A43 PolarHBondContact O-N 3.2Å; F40-D44 WeakPolarHBondContact CD1-OD2 3.26Å; F40-D44 CarbonylContact O-C 3.59Å; F40-D44 WeakPolarHBondContact O-CA 3.46Å; F40-D44 PolarHBondContact O-N 3.4Å; F40-D45 PolarHBondContact O-N 2.63Å; F40-S46 CarbonylContact C-O 3.56Å; F40-S46 PolarHBondContact O-N 3.47Å |
| 41 | R | 97.3 | Very high | 93.8 | Very high | 39 Ų | 39 | 48.7 Ų | 48.7 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 173.8 | 175.8 | 56.9 | 73.7 | -167.4 | 3.9 | 111.1 | S37 F38 L39 D45 S46 F47 A166 K167 N169 V172 | S37-R41 WeakPolarHBondContact O-CB 3.34Å; S37-R41 PolarHBondContact O-N 3.19Å; F38-R41 PolarHBondContact O-N 3.33Å; L39-R41 PolarHBondContact O-N 2.91Å; R41-D45 IonicContact CZ-OD1 3.48Å; R41-D45 VanDerWaalsContact NH1-C 3.29Å; R41-D45 PolarHBondContact NH1-O 3.29Å; R41-D45 IonicContact NH1-OD1 3.28Å; R41-D45 PolarHBondContact NH1-OD1 3.21Å; R41-D45 VanDerWaalsContact O-CA 3.24Å; R41-D45 WeakPolarHBondContact O-CA 3.41Å; R41-D45 PolarHBondContact O-N 3.22Å; R41-D45 VanDerWaalsContact O-N 3.15Å; R41-S46 VanDerWaalsContact CA-O 3.29Å; R41-S46 WeakPolarHBondContact CA-O 3.15Å; R41-S46 PolarHBondContact N-O 2.89Å; R41-S46 VanDerWaalsContact N-O 3.15Å; R41-F47 VanDerWaalsContact NH2-CB 3.3Å; R41-A166 WeakPolarHBondContact CG-O 3.25Å; R41-A166 PolarHBondContact NE-O 2.88Å; R41-K167 PolarHBondContact NH2-O 2.64Å; R41-N169 WeakPolarHBondContact CD-OD1 3.24Å; R41-N169 HydrophobicContact CG-CB 4.31Å; R41-N169 WeakPolarHBondContact CG-OD1 3.29Å; R41-V172 HydrophobicContact CB-CG1 4.26Å; R41-V172 HydrophobicContact CG-CB 4.19Å; R41-V172 HydrophobicContact CG-CG1 3.95Å; R41-V172 HydrophobicContact CG-CG2 3.88Å |
| 42 | Y | 97.8 | Very high | 93.4 | Very high | 19 Ų | 19 | 53.1 Ų | 53.1 | 8% | 0.075 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.5 | -44.9 | 179.2 | 177.5 | -116.8 | 0 | 0 | 0 | 113 | F38 L39 F40 K62 L73 I75 K173 F176 | F38-Y42 WeakPolarHBondContact O-CB 3.3Å; F38-Y42 PolarHBondContact O-N 3.41Å; L39-Y42 PolarHBondContact O-N 2.83Å; F40-Y42 PolarHBondContact O-N 3.09Å; Y42-K62 HydrophobicContact CD1-CD 3.81Å; Y42-K62 HydrophobicContact CE1-CB 4.48Å; Y42-K62 HydrophobicContact CE1-CD 3.23Å; Y42-K62 HydrophobicContact CE1-CG 4.44Å; Y42-K62 HydrophobicContact CE2-CD 4.37Å; Y42-K62 PolarHBondContact O-NZ 2.79Å; Y42-L73 HydrophobicContact CE1-CD1 4.24Å; Y42-L73 WeakPolarHBondContact OH-CD1 3.24Å; Y42-I75 HydrophobicContact CD1-CD1 3.91Å; Y42-I75 HydrophobicContact CE1-CD1 3.76Å; Y42-K173 HydrophobicContact CE2-CG 4.46Å; Y42-F176 VanDerWaalsContact CB-CE2 3.46Å; Y42-F176 HydrophobicContact CD1-CB 4.48Å; Y42-F176 AromaticContact CD1-CD1 3.91Å; Y42-F176 HydrophobicContact CD1-CD1 3.91Å; Y42-F176 AromaticContact CD1-CD2 3.61Å; Y42-F176 HydrophobicContact CD1-CD2 3.61Å; Y42-F176 AromaticContact CD1-CE1 3.97Å; Y42-F176 HydrophobicContact CD1-CE1 3.97Å; Y42-F176 AromaticContact CD1-CE2 3.67Å; Y42-F176 HydrophobicContact CD1-CE2 3.67Å; Y42-F176 AromaticContact CD1-CG 3.74Å; Y42-F176 HydrophobicContact CD1-CG 3.74Å; Y42-F176 AromaticContact CD1-CZ 3.85Å; Y42-F176 HydrophobicContact CD1-CZ 3.85Å; Y42-F176 HydrophobicContact CD2-CB 4.11Å; Y42-F176 AromaticContact CD2-CD2 3.46Å; Y42-F176 HydrophobicContact CD2-CD2 3.46Å; Y42-F176 VanDerWaalsContact CD2-CD2 3.46Å; Y42-F176 HydrophobicContact CD2-CE2 4.07Å; Y42-F176 AromaticContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CE1-CB 4Å; Y42-F176 AromaticContact CE1-CD1 3.75Å; Y42-F176 HydrophobicContact CE1-CD1 3.75Å; Y42-F176 AromaticContact CE1-CD2 3.99Å; Y42-F176 HydrophobicContact CE1-CD2 3.99Å; Y42-F176 HydrophobicContact CE1-CE1 4.2Å; Y42-F176 HydrophobicContact CE1-CE2 4.41Å; Y42-F176 AromaticContact CE1-CG 3.64Å; Y42-F176 HydrophobicContact CE1-CG 3.64Å; Y42-F176 HydrophobicContact CE2-CB 3.59Å; Y42-F176 AromaticContact CE2-CD2 3.87Å; Y42-F176 HydrophobicContact CE2-CD2 3.87Å; Y42-F176 AromaticContact CE2-CG 3.84Å; Y42-F176 HydrophobicContact CE2-CG 3.84Å; Y42-F176 HydrophobicContact CG-CD1 4.46Å; Y42-F176 AromaticContact CG-CD2 3.31Å; Y42-F176 HydrophobicContact CG-CD2 3.31Å; Y42-F176 AromaticContact CG-CE2 3.45Å; Y42-F176 HydrophobicContact CG-CE2 3.45Å; Y42-F176 VanDerWaalsContact CG-CE2 3.45Å; Y42-F176 AromaticContact CG-CG 3.86Å; Y42-F176 HydrophobicContact CG-CG 3.86Å; Y42-F176 HydrophobicContact CG-CZ 4.11Å; Y42-F176 AromaticContact CZ-CG 3.69Å |
| 43 | A | 95.1 | Very high | 93.1 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 12% | 0.124 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -83.3 | -41.3 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L39 F40 K60 K62 | L39-A43 HydrophobicContact CD1-CB 4.27Å; L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 2.92Å; F40-A43 PolarHBondContact O-N 3.2Å; A43-K60 HydrophobicContact CB-CD 3.55Å; A43-K60 HydrophobicContact CB-CG 4.4Å; A43-K60 VanDerWaalsContact CB-NZ 3.35Å; A43-K62 PolarHBondContact O-NZ 3.02Å; A43-K62 VanDerWaalsContact O-NZ 3.12Å |
| 44 | D | 93.3 | Very high | 92.3 | Very high | 83 Ų | 83 | 54.6 Ų | 54.6 | 44% | 0.444 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -123.4 | 2.9 | -168.7 | -57.1 | -43.9 | 0 | 0 | 0 | 113.5 | F40 S46 K60 | F40-D44 WeakPolarHBondContact CD1-OD2 3.26Å; F40-D44 CarbonylContact O-C 3.59Å; F40-D44 WeakPolarHBondContact O-CA 3.46Å; F40-D44 PolarHBondContact O-N 3.4Å; D44-S46 PolarHBondContact O-N 3.3Å; D44-K60 IonicContact OD1-NZ 2.95Å; D44-K60 PolarHBondContact OD1-NZ 3.46Å; D44-K60 WeakPolarHBondContact OD2-CE 3.19Å; D44-K60 IonicContact OD2-NZ 3.01Å; D44-K60 PolarHBondContact OD2-NZ 3.02Å |
| 45 | D | 94.8 | Very high | 91.4 | Very high | 109 Ų | 109 | 59.1 Ų | 59.1 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 50.6 | 40.1 | -174.2 | -163.2 | 23.7 | 0 | 0 | 0 | 113.3 | F40 R41 | F40-D45 PolarHBondContact O-N 2.63Å; R41-D45 IonicContact CZ-OD1 3.48Å; R41-D45 VanDerWaalsContact NH1-C 3.29Å; R41-D45 PolarHBondContact NH1-O 3.29Å; R41-D45 IonicContact NH1-OD1 3.28Å; R41-D45 PolarHBondContact NH1-OD1 3.21Å; R41-D45 VanDerWaalsContact O-CA 3.24Å; R41-D45 WeakPolarHBondContact O-CA 3.41Å; R41-D45 PolarHBondContact O-N 3.22Å; R41-D45 VanDerWaalsContact O-N 3.15Å |
| 46 | S | 94.3 | Very high | 90.8 | Very high | 47 Ų | 47 | 59.5 Ų | 59.5 | 33% | 0.329 | 35% | 0.347 | S | S | . | . | trans | -123.4 | 149.9 | -178 | 68.2 | 0 | 0 | 0 | 0 | 112.2 | F40 R41 D44 | F40-S46 CarbonylContact C-O 3.56Å; F40-S46 PolarHBondContact O-N 3.47Å; R41-S46 VanDerWaalsContact CA-O 3.29Å; R41-S46 WeakPolarHBondContact CA-O 3.15Å; R41-S46 PolarHBondContact N-O 2.89Å; R41-S46 VanDerWaalsContact N-O 3.15Å; D44-S46 PolarHBondContact O-N 3.3Å | ||
| 47 | F | 94.1 | Very high | 90.4 | Very high | 72 Ų | 72 | 59.8 Ų | 59.8 | 32% | 0.316 | 35% | 0.347 | S | S | . | . | trans | -141.3 | 135.4 | 173.7 | 176.9 | -94.1 | 0 | 0 | 0 | 109.4 | R41 P49 A166 K167 | R41-F47 VanDerWaalsContact NH2-CB 3.3Å; F47-P49 HydrophobicContact CE1-CB 4.15Å; F47-A166 HydrophobicContact CD2-CB 4.31Å; F47-A166 HydrophobicContact CE2-CB 4.42Å; F47-K167 HydrophobicContact CD1-CB 4.38Å; F47-K167 HydrophobicContact CD1-CG 4.14Å; F47-K167 HydrophobicContact CD2-CB 4.19Å; F47-K167 HydrophobicContact CE1-CB 4.03Å; F47-K167 HydrophobicContact CE1-CG 3.75Å; F47-K167 HydrophobicContact CE2-CB 3.82Å; F47-K167 HydrophobicContact CE2-CG 4.46Å; F47-K167 HydrophobicContact CG-CB 4.46Å; F47-K167 HydrophobicContact CZ-CB 3.73Å; F47-K167 HydrophobicContact CZ-CG 3.93Å | ||
| 48 | T | 90.5 | Very high | 90 | Very high | 89 Ų | 89 | 61.5 Ų | 61.5 | 55% | 0.546 | 35% | 0.353 | S | S | . | . | trans | -124.8 | 125.4 | 175.1 | -66 | 0 | 0 | 0 | 0 | 108.4 | A50 | T48-A50 HydrophobicContact CG2-CB 3.74Å; T48-A50 PolarHBondContact O-N 3.15Å | ||
| 49 | P | 85.8 | Confident | 89.7 | Confident | 117 Ų | 117 | 65.5 Ų | 65.5 | 76% | 0.76 | 37% | 0.371 | S | S | * | . | trans | -73.2 | -17.1 | 179.5 | 29.4 | -35 | 0 | 0 | 0 | 112.8 | F47 F51 | F47-P49 HydrophobicContact CE1-CB 4.15Å; P49-F51 PolarHBondContact O-N 3.24Å | ||
| 50 | A | 84.8 | Confident | 89.6 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 56% | 0.562 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -64.8 | 120.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T48 V52 | T48-A50 HydrophobicContact CG2-CB 3.74Å; T48-A50 PolarHBondContact O-N 3.15Å; A50-V52 PolarHBondContact O-N 3.01Å |
| 51 | F | 83.9 | Confident | 89.6 | Confident | 129 Ų | 129 | 67.7 Ų | 67.7 | 57% | 0.566 | 39% | 0.386 | S | S | * | . | trans | -80.5 | 119.2 | 174.4 | 175.8 | -109.2 | 0 | 0 | 0 | 110.4 | P49 S53 | P49-F51 PolarHBondContact O-N 3.24Å; F51-S53 WeakPolarHBondContact CE1-OG 3.26Å; F51-S53 VanDerWaalsContact CZ-OG 3.24Å; F51-S53 WeakPolarHBondContact CZ-OG 3.38Å | ||
| 52 | V | 84 | Confident | 89.5 | Confident | 117 Ų | 117 | 68.6 Ų | 68.6 | 71% | 0.709 | 39% | 0.391 | S | S | * | . | trans | -122.4 | 123.4 | 169 | -176.9 | 0 | 0 | 0 | 0 | 107.4 | A50 T54 | A50-V52 PolarHBondContact O-N 3.01Å; V52-T54 PolarHBondContact O-N 2.74Å | ||
| 53 | S | 87 | Confident | 89.4 | Confident | 47 Ų | 47 | 70 Ų | 70 | 33% | 0.329 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 122.5 | 176.8 | -71.6 | 0 | 0 | 0 | 0 | 110.3 | F51 V55 | F51-S53 WeakPolarHBondContact CE1-OG 3.26Å; F51-S53 VanDerWaalsContact CZ-OG 3.24Å; F51-S53 WeakPolarHBondContact CZ-OG 3.38Å; S53-V55 PolarHBondContact O-N 3.4Å |
| 54 | T | 79.9 | Confident | 89.4 | Confident | 32 Ų | 32 | 70.2 Ų | 70.2 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 123.7 | 173 | -44.9 | 0 | 0 | 0 | 0 | 109.9 | T36 V52 A79 | T36-T54 PolarHBondContact OG1-OG1 3Å; V52-T54 PolarHBondContact O-N 2.74Å; T54-A79 VanDerWaalsContact O-CB 3.31Å; T54-A79 WeakPolarHBondContact O-CB 3.5Å |
| 55 | V | 79.3 | Confident | 89.4 | Confident | 107 Ų | 107 | 73.9 Ų | 73.9 | 65% | 0.648 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -100 | 122.2 | 173.9 | 175.8 | 0 | 0 | 0 | 0 | 107.8 | S53 | S53-V55 PolarHBondContact O-N 3.4Š|
| 56 | G | 81.7 | Confident | 89.2 | Confident | 17 Ų | 17 | 71.4 Ų | 71.4 | 18% | 0.175 | 39% | 0.391 | C | S | . | . | S | Bend | trans | 74.8 | -129.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A79 | G56-A79 WeakPolarHBondContact O-CB 3.37Å; G56-A79 PolarHBondContact O-N 2.94Å |
| 57 | I | 87.1 | Confident | 88.9 | Confident | 39 Ų | 39 | 75.8 Ų | 75.8 | 20% | 0.2 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 131.8 | -175.4 | -56.3 | -175.9 | 0 | 0 | 0 | 108.8 | W76 D77 T78 I87 Y91 | I57-W76 HydrophobicContact CG2-CB 4.23Å; I57-W76 HydrophobicContact CG2-CE3 3.72Å; I57-D77 CarbonylContact C-O 3.43Å; I57-D77 VanDerWaalsContact CA-O 3.31Å; I57-D77 WeakPolarHBondContact CA-O 3.47Å; I57-D77 VanDerWaalsContact CG2-O 3.27Å; I57-D77 WeakPolarHBondContact CG2-O 3.36Å; I57-T78 HydrophobicContact CD1-CG2 4.45Å; I57-T78 HydrophobicContact CG2-CG2 4.45Å; I57-I87 HydrophobicContact CD1-CG2 4.15Å; I57-I87 HydrophobicContact CG1-CG2 4.37Å; I57-Y91 HydrophobicContact CD1-CD1 4.15Å; I57-Y91 HydrophobicContact CD1-CD2 3.1Å; I57-Y91 HydrophobicContact CD1-CE1 4.26Å; I57-Y91 HydrophobicContact CD1-CE2 3.27Å; I57-Y91 HydrophobicContact CD1-CG 3.58Å; I57-Y91 HydrophobicContact CG1-CE2 4.43Å |
| 58 | D | 89.8 | Confident | 88.7 | Confident | 71 Ų | 71 | 80.2 Ų | 80.2 | 38% | 0.38 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 151.6 | 171.7 | -163.8 | 8.3 | 0 | 0 | 0 | 110.2 | W76 D77 | D58-W76 CarbonylContact O-C 3.57Å; D58-W76 WeakPolarHBondContact O-CA 3.48Å; D58-D77 HydrophobicContact CB-CB 4.33Å; D58-D77 PolarHBondContact N-O 3.43Å; D58-D77 PolarHBondContact O-N 2.97Å |
| 59 | F | 91.5 | Very high | 88.8 | Confident | 83 Ų | 83 | 79.9 Ų | 79.9 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 127.4 | -171.3 | 174.6 | -104.5 | 0 | 0 | 0 | 111.2 | V61 Q74 W76 | F59-V61 HydrophobicContact CE1-CG2 3.52Å; F59-V61 HydrophobicContact CE2-CG2 4.45Å; F59-V61 HydrophobicContact CZ-CG2 3.46Å; F59-V61 VanDerWaalsContact CZ-CG2 3.46Å; F59-Q74 HydrophobicContact CE2-CB 3.8Å; F59-Q74 HydrophobicContact CE2-CG 4Å; F59-Q74 HydrophobicContact CZ-CB 4.23Å; F59-Q74 HydrophobicContact CZ-CG 3.92Å; F59-W76 HydrophobicContact CB-CE3 4.29Å; F59-W76 HydrophobicContact CB-CZ3 4.39Å; F59-W76 AromaticContact CD2-CD2 3.62Å; F59-W76 HydrophobicContact CD2-CD2 3.62Å; F59-W76 AromaticContact CD2-CE2 3.44Å; F59-W76 VanDerWaalsContact CD2-CE2 3.44Å; F59-W76 AromaticContact CD2-CE3 3.94Å; F59-W76 HydrophobicContact CD2-CE3 3.94Å; F59-W76 HydrophobicContact CD2-CG 4.13Å; F59-W76 HydrophobicContact CD2-CH2 4.04Å; F59-W76 AromaticContact CD2-CZ2 3.69Å; F59-W76 HydrophobicContact CD2-CZ2 3.69Å; F59-W76 HydrophobicContact CD2-CZ3 4.14Å; F59-W76 AromaticContact CD2-NE1 3.78Å; F59-W76 HydrophobicContact CE2-CD2 4.24Å; F59-W76 AromaticContact CE2-CE2 3.6Å; F59-W76 HydrophobicContact CE2-CH2 4.41Å; F59-W76 AromaticContact CE2-CZ2 3.72Å; F59-W76 HydrophobicContact CE2-CZ2 3.72Å; F59-W76 AromaticContact CE2-NE1 3.63Å |
| 60 | K | 93.9 | Very high | 89.2 | Confident | 50 Ų | 50 | 76 Ų | 76 | 22% | 0.217 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.8 | 178.9 | -152.1 | 159.2 | -155.4 | -73.9 | 0 | 111.4 | L39 A43 D44 I75 | L39-K60 HydrophobicContact CD1-CB 4.33Å; L39-K60 HydrophobicContact CD1-CD 4.4Å; L39-K60 HydrophobicContact CD2-CB 4.11Å; L39-K60 HydrophobicContact CD2-CD 4.48Å; L39-K60 HydrophobicContact CG-CD 4.32Å; A43-K60 HydrophobicContact CB-CD 3.55Å; A43-K60 HydrophobicContact CB-CG 4.4Å; A43-K60 VanDerWaalsContact CB-NZ 3.35Å; D44-K60 IonicContact OD1-NZ 2.95Å; D44-K60 PolarHBondContact OD1-NZ 3.46Å; D44-K60 WeakPolarHBondContact OD2-CE 3.19Å; D44-K60 IonicContact OD2-NZ 3.01Å; D44-K60 PolarHBondContact OD2-NZ 3.02Å; K60-I75 PolarHBondContact N-O 3.27Å; K60-I75 PolarHBondContact O-N 3.19Å |
| 61 | V | 95.1 | Very high | 89.7 | Confident | 71 Ų | 71 | 72.9 Ų | 72.9 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.1 | 171 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | F59 K72 L73 Q74 | F59-V61 HydrophobicContact CE1-CG2 3.52Å; F59-V61 HydrophobicContact CE2-CG2 4.45Å; F59-V61 HydrophobicContact CZ-CG2 3.46Å; F59-V61 VanDerWaalsContact CZ-CG2 3.46Å; V61-K72 HydrophobicContact CG1-CD 4.48Å; V61-L73 CarbonylContact C-O 3.51Å; V61-L73 VanDerWaalsContact CA-O 3.27Å; V61-L73 WeakPolarHBondContact CA-O 3.3Å; V61-Q74 HydrophobicContact CG2-CG 4.48Å |
| 62 | K | 95.2 | Very high | 90.3 | Very high | 59 Ų | 59 | 68.3 Ų | 68.3 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.1 | 169.8 | -164.5 | -171.9 | -179.2 | 92.5 | 0 | 109.1 | Y42 A43 I64 L73 I75 | Y42-K62 HydrophobicContact CD1-CD 3.81Å; Y42-K62 HydrophobicContact CE1-CB 4.48Å; Y42-K62 HydrophobicContact CE1-CD 3.23Å; Y42-K62 HydrophobicContact CE1-CG 4.44Å; Y42-K62 HydrophobicContact CE2-CD 4.37Å; Y42-K62 PolarHBondContact O-NZ 2.79Å; A43-K62 PolarHBondContact O-NZ 3.02Å; A43-K62 VanDerWaalsContact O-NZ 3.12Å; K62-I64 HydrophobicContact CD-CG2 4.32Å; K62-I64 HydrophobicContact CG-CG2 4.45Å; K62-L73 PolarHBondContact N-O 3.07Å; K62-L73 WeakPolarHBondContact O-CB 3.39Å; K62-L73 PolarHBondContact O-N 2.78Å; K62-I75 HydrophobicContact CB-CD1 4.44Å |
| 63 | T | 95.4 | Very high | 91 | Very high | 47 Ų | 47 | 62.8 Ų | 62.8 | 29% | 0.288 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 130.4 | 174 | -53.6 | 0 | 0 | 0 | 0 | 109.6 | R70 I71 K72 | T63-R70 HydrophobicContact CG2-CG 3.48Å; T63-R70 VanDerWaalsContact CG2-CG 3.48Å; T63-R70 VanDerWaalsContact CG2-NE 3.3Å; T63-I71 WeakPolarHBondContact CA-O 3.42Å; T63-K72 HydrophobicContact CG2-CG 4.36Å |
| 64 | I | 95.4 | Very high | 91.5 | Very high | 21 Ų | 21 | 63 Ų | 63 | 11% | 0.108 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 165.8 | 175.9 | 66.1 | 167.8 | 0 | 0 | 0 | 110.3 | K62 R66 I71 L73 V180 | K62-I64 HydrophobicContact CD-CG2 4.32Å; K62-I64 HydrophobicContact CG-CG2 4.45Å; I64-R66 HydrophobicContact CD1-CG 3.98Å; I64-I71 HydrophobicContact CG1-CB 4.02Å; I64-I71 PolarHBondContact N-O 2.79Å; I64-I71 PolarHBondContact O-N 2.83Å; I64-L73 HydrophobicContact CD1-CD1 3.93Å; I64-L73 HydrophobicContact CD1-CD2 4.3Å; I64-L73 HydrophobicContact CD1-CG 4.26Å; I64-L73 HydrophobicContact CG1-CD1 4.34Å; I64-L73 HydrophobicContact CG1-CG 4.28Å; I64-L73 HydrophobicContact CG2-CD1 4.34Å; I64-V180 HydrophobicContact CD1-CB 4.36Å; I64-V180 HydrophobicContact CD1-CG1 3.98Å; I64-V180 HydrophobicContact CD1-CG2 3.87Å |
| 65 | Y | 93.6 | Very high | 92.3 | Very high | 159 Ų | 159 | 61.5 Ų | 61.5 | 62% | 0.624 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.1 | 172.9 | -68.5 | -95 | 0 | 0 | 0 | 109.2 | K69 R70 | Y65-K69 VanDerWaalsContact CA-O 3.32Å; Y65-K69 WeakPolarHBondContact CA-O 3.41Å; Y65-R70 HydrophobicContact CD1-CB 4.06Å; Y65-R70 HydrophobicContact CD1-CG 4.35Å; Y65-R70 HydrophobicContact CE1-CB 3.72Å; Y65-R70 HydrophobicContact CE1-CG 3.8Å; Y65-R70 HydrophobicContact CE2-CG 4.48Å; Y65-R70 WeakPolarHBondContact OH-CD 3.09Å |
| 66 | R | 90.4 | Very high | 93.1 | Very high | 57 Ų | 57 | 58.8 Ų | 58.8 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 129.7 | 174.9 | -69.3 | -62 | -114.6 | -160.5 | 4 | 109.1 | I64 D68 K69 I71 E177 V180 D181 | I64-R66 HydrophobicContact CD1-CG 3.98Å; R66-D68 VanDerWaalsContact C-N 3.32Å; R66-D68 PolarHBondContact O-N 3.48Å; R66-K69 PolarHBondContact N-O 2.84Å; R66-K69 WeakPolarHBondContact O-CA 3.18Å; R66-K69 VanDerWaalsContact O-CB 3.3Å; R66-K69 WeakPolarHBondContact O-CB 3.47Å; R66-K69 PolarHBondContact O-N 2.76Å; R66-I71 HydrophobicContact CB-CD1 4.02Å; R66-I71 HydrophobicContact CG-CD1 4.49Å; R66-E177 VanDerWaalsContact CZ-CD 3.5Å; R66-E177 IonicContact CZ-OE2 3.28Å; R66-E177 IonicContact NH1-OE1 3.51Å; R66-E177 PolarHBondContact NH1-OE1 2.94Å; R66-E177 IonicContact NH1-OE2 3.14Å; R66-E177 PolarHBondContact NH1-OE2 3.29Å; R66-E177 VanDerWaalsContact NH2-CB 3.27Å; R66-E177 IonicContact NH2-OE2 2.68Å; R66-E177 PolarHBondContact NH2-OE2 3.41Å; R66-V180 HydrophobicContact CG-CG1 4.1Å; R66-D181 IonicContact CZ-OD1 2.81Å; R66-D181 IonicContact CZ-OD2 2.64Å; R66-D181 IonicContact NE-OD1 3.59Å; R66-D181 PolarHBondContact NE-OD1 3.24Å; R66-D181 VanDerWaalsContact NE-OD1 3.13Å; R66-D181 IonicContact NE-OD2 3.62Å; R66-D181 IonicContact NH2-OD1 3.78Å; R66-D181 PolarHBondContact NH2-OD1 2.66Å; R66-D181 IonicContact NH2-OD2 3.85Å; R66-D181 PolarHBondContact NH2-OD2 3.31Å |
| 67 | N | 88.8 | Confident | 93.7 | Very high | 139 Ų | 139 | 58 Ų | 58 | 74% | 0.743 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 48.8 | 179 | -56 | -26.6 | 0 | 0 | 0 | 113.3 | K69 | N67-K69 PolarHBondContact O-N 3.36Š|
| 68 | D | 89 | Confident | 93.8 | Very high | 166 Ų | 166 | 56.1 Ų | 56.1 | 89% | 0.888 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 13.8 | -176 | -57.4 | -43.2 | 0 | 0 | 0 | 115.5 | R66 | R66-D68 VanDerWaalsContact C-N 3.32Å; R66-D68 PolarHBondContact O-N 3.48Å |
| 69 | K | 92.2 | Very high | 93.5 | Very high | 82 Ų | 82 | 52.7 Ų | 52.7 | 36% | 0.357 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 133.8 | 175.3 | -60.1 | -65.7 | -177.7 | -176 | 0 | 110.7 | D20 Y21 Y65 R66 N67 I71 | D20-K69 HydrophobicContact CB-CB 4.17Å; D20-K69 HydrophobicContact CB-CD 3.81Å; D20-K69 VanDerWaalsContact CG-CD 3.41Å; D20-K69 VanDerWaalsContact OD1-CD 3.26Å; D20-K69 WeakPolarHBondContact OD1-CD 3.38Å; D20-K69 IonicContact OD1-NZ 3.65Å; D20-K69 PolarHBondContact OD1-NZ 2.76Å; D20-K69 VanDerWaalsContact OD1-NZ 3.09Å; D20-K69 WeakPolarHBondContact OD2-CA 3.39Å; Y21-K69 HydrophobicContact CD2-CB 4.19Å; Y21-K69 HydrophobicContact CD2-CG 4.46Å; Y21-K69 HydrophobicContact CE2-CB 4.18Å; Y21-K69 HydrophobicContact CE2-CD 4.09Å; Y21-K69 HydrophobicContact CE2-CG 3.94Å; Y65-K69 VanDerWaalsContact CA-O 3.32Å; Y65-K69 WeakPolarHBondContact CA-O 3.41Å; R66-K69 PolarHBondContact N-O 2.84Å; R66-K69 WeakPolarHBondContact O-CA 3.18Å; R66-K69 VanDerWaalsContact O-CB 3.3Å; R66-K69 WeakPolarHBondContact O-CB 3.47Å; R66-K69 PolarHBondContact O-N 2.76Å; N67-K69 PolarHBondContact O-N 3.36Å; K69-I71 HydrophobicContact CB-CG1 4.35Å |
| 70 | R | 94.9 | Very high | 92.8 | Very high | 35 Ų | 35 | 49.2 Ų | 49.2 | 13% | 0.132 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 111.4 | 172.7 | -172.4 | 174.2 | 178.5 | -158.5 | 1.1 | 109 | S15 D16 N18 F19 D20 Y21 T63 Y65 | S15-R70 PolarHBondContact O-NH1 3.08Å; D16-R70 IonicContact OD1-NH2 2.68Å; D16-R70 PolarHBondContact OD1-NH2 3.03Å; N18-R70 VanDerWaalsContact O-CD 3.29Å; N18-R70 WeakPolarHBondContact O-CD 3.47Å; N18-R70 PolarHBondContact O-NH1 3.02Å; F19-R70 HydrophobicContact CB-CG 4.49Å; D20-R70 PolarHBondContact N-O 3.38Å; D20-R70 PolarHBondContact OD2-N 3.05Å; Y21-R70 PolarHBondContact N-O 2.87Å; T63-R70 HydrophobicContact CG2-CG 3.48Å; T63-R70 VanDerWaalsContact CG2-CG 3.48Å; T63-R70 VanDerWaalsContact CG2-NE 3.3Å; Y65-R70 HydrophobicContact CD1-CB 4.06Å; Y65-R70 HydrophobicContact CD1-CG 4.35Å; Y65-R70 HydrophobicContact CE1-CB 3.72Å; Y65-R70 HydrophobicContact CE1-CG 3.8Å; Y65-R70 HydrophobicContact CE2-CG 4.48Å; Y65-R70 WeakPolarHBondContact OH-CD 3.09Å |
| 71 | I | 96.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.1 | -175 | -51.8 | -179.4 | 0 | 0 | 0 | 109.1 | Y21 F23 T63 I64 R66 K69 L73 V180 | Y21-I71 HydrophobicContact CD2-CG1 4.29Å; Y21-I71 CarbonylContact O-C 3.58Å; Y21-I71 WeakPolarHBondContact O-CA 3.13Å; F23-I71 HydrophobicContact CD1-CG2 4.4Å; F23-I71 HydrophobicContact CD2-CG2 3.71Å; F23-I71 HydrophobicContact CE1-CG2 4.46Å; F23-I71 HydrophobicContact CE2-CD1 4.1Å; F23-I71 HydrophobicContact CE2-CG2 3.8Å; F23-I71 HydrophobicContact CG-CG2 4.01Å; F23-I71 HydrophobicContact CZ-CD1 4.32Å; F23-I71 HydrophobicContact CZ-CG2 4.15Å; T63-I71 WeakPolarHBondContact CA-O 3.42Å; I64-I71 HydrophobicContact CG1-CB 4.02Å; I64-I71 PolarHBondContact N-O 2.79Å; I64-I71 PolarHBondContact O-N 2.83Å; R66-I71 HydrophobicContact CB-CD1 4.02Å; R66-I71 HydrophobicContact CG-CD1 4.49Å; K69-I71 HydrophobicContact CB-CG1 4.35Å; I71-L73 HydrophobicContact CG2-CD2 3.77Å; I71-V180 HydrophobicContact CD1-CG1 3.79Å |
| 72 | K | 96.5 | Very high | 91.1 | Very high | 34 Ų | 34 | 52.8 Ų | 52.8 | 15% | 0.148 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 116 | 170.2 | -74.6 | -168.4 | 178.6 | -177.9 | 0 | 110.4 | D16 F19 Y21 M22 F23 V61 T63 | D16-K72 WeakPolarHBondContact O-CE 3.42Å; D16-K72 PolarHBondContact O-NZ 2.84Å; F19-K72 HydrophobicContact CB-CD 4.17Å; F19-K72 HydrophobicContact CB-CG 3.88Å; F19-K72 HydrophobicContact CD1-CD 3.47Å; F19-K72 VanDerWaalsContact CD1-CD 3.47Å; F19-K72 VanDerWaalsContact CD1-CE 3.43Å; F19-K72 HydrophobicContact CD1-CG 4.12Å; F19-K72 HydrophobicContact CE1-CD 3.93Å; F19-K72 HydrophobicContact CG-CB 4.47Å; F19-K72 HydrophobicContact CG-CD 3.79Å; F19-K72 HydrophobicContact CG-CG 3.91Å; Y21-K72 PolarHBondContact O-N 3.2Å; M22-K72 CarbonylContact C-O 3.5Å; M22-K72 VanDerWaalsContact CA-O 3.24Å; M22-K72 WeakPolarHBondContact CA-O 3.47Å; M22-K72 HydrophobicContact CB-CB 4.45Å; M22-K72 HydrophobicContact CG-CB 4.46Å; F23-K72 PolarHBondContact N-O 3.09Å; V61-K72 HydrophobicContact CG1-CD 4.48Å; T63-K72 HydrophobicContact CG2-CG 4.36Å |
| 73 | L | 97.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 118.7 | 171.9 | -50.8 | -174.6 | 0 | 0 | 0 | 109.1 | F23 I25 Y42 V61 K62 I64 I71 I75 V180 | F23-L73 HydrophobicContact CB-CD2 4.01Å; F23-L73 HydrophobicContact CD2-CD2 4.11Å; F23-L73 HydrophobicContact CG-CD2 4.43Å; I25-L73 HydrophobicContact CD1-CD1 4.33Å; I25-L73 HydrophobicContact CD1-CD2 4.07Å; Y42-L73 HydrophobicContact CE1-CD1 4.24Å; Y42-L73 WeakPolarHBondContact OH-CD1 3.24Å; V61-L73 CarbonylContact C-O 3.51Å; V61-L73 VanDerWaalsContact CA-O 3.27Å; V61-L73 WeakPolarHBondContact CA-O 3.3Å; K62-L73 PolarHBondContact N-O 3.07Å; K62-L73 WeakPolarHBondContact O-CB 3.39Å; K62-L73 PolarHBondContact O-N 2.78Å; I64-L73 HydrophobicContact CD1-CD1 3.93Å; I64-L73 HydrophobicContact CD1-CD2 4.3Å; I64-L73 HydrophobicContact CD1-CG 4.26Å; I64-L73 HydrophobicContact CG1-CD1 4.34Å; I64-L73 HydrophobicContact CG1-CG 4.28Å; I64-L73 HydrophobicContact CG2-CD1 4.34Å; I71-L73 HydrophobicContact CG2-CD2 3.77Å; L73-I75 HydrophobicContact CB-CD1 4.13Å; L73-I75 HydrophobicContact CB-CG1 3.9Å; L73-V180 HydrophobicContact CD1-CG2 3.97Å; L73-V180 HydrophobicContact CD2-CG2 3.55Å; L73-V180 HydrophobicContact CG-CG2 4.41Å |
| 74 | Q | 97.1 | Very high | 89.5 | Confident | 52 Ų | 52 | 60 Ų | 60 | 24% | 0.243 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 93.9 | 168.8 | -77.4 | -169.1 | -30 | 0 | 0 | 108.1 | M22 F23 I25 F59 V61 W76 | M22-Q74 HydrophobicContact CG-CG 3.97Å; M22-Q74 VanDerWaalsContact SD-CD 3.5Å; M22-Q74 HydrophobicContact SD-CG 4.04Å; M22-Q74 PolarHBondContact SD-NE2 3.08Å; M22-Q74 VanDerWaalsContact SD-NE2 3.36Å; F23-Q74 PolarHBondContact O-N 3.26Å; I25-Q74 PolarHBondContact N-O 3.26Å; F59-Q74 HydrophobicContact CE2-CB 3.8Å; F59-Q74 HydrophobicContact CE2-CG 4Å; F59-Q74 HydrophobicContact CZ-CB 4.23Å; F59-Q74 HydrophobicContact CZ-CG 3.92Å; V61-Q74 HydrophobicContact CG2-CG 4.48Å; Q74-W76 VanDerWaalsContact O-CD1 3.28Å |
| 75 | I | 97.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.3 | -173.5 | -49.5 | 165.3 | 0 | 0 | 0 | 109 | I25 I27 L39 Y42 K60 K62 L73 F176 | I25-I75 CarbonylContact O-C 3.49Å; I25-I75 WeakPolarHBondContact O-CA 3.46Å; I27-I75 HydrophobicContact CD1-CG2 3.87Å; I27-I75 HydrophobicContact CG1-CG2 3.96Å; L39-I75 HydrophobicContact CD1-CB 4.01Å; L39-I75 HydrophobicContact CD1-CD1 3.91Å; L39-I75 HydrophobicContact CD1-CG2 3.69Å; L39-I75 HydrophobicContact CD2-CG2 4.42Å; Y42-I75 HydrophobicContact CD1-CD1 3.91Å; Y42-I75 HydrophobicContact CE1-CD1 3.76Å; K60-I75 PolarHBondContact N-O 3.27Å; K60-I75 PolarHBondContact O-N 3.19Å; K62-I75 HydrophobicContact CB-CD1 4.44Å; L73-I75 HydrophobicContact CB-CD1 4.13Å; L73-I75 HydrophobicContact CB-CG1 3.9Å; I75-F176 HydrophobicContact CD1-CD1 4.15Å; I75-F176 HydrophobicContact CD1-CE1 3.72Å; I75-F176 HydrophobicContact CD1-CZ 4.46Å; I75-F176 HydrophobicContact CG1-CE1 4.23Å; I75-F176 HydrophobicContact CG2-CE1 4.03Å |
| 76 | W | 95.4 | Very high | 87.9 | Confident | 50 Ų | 50 | 61.7 Ų | 61.7 | 19% | 0.189 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 109.8 | -179.5 | -61.7 | 78.6 | 0 | 0 | 0 | 108.7 | I25 L26 I27 I57 D58 F59 Q74 Y91 | I25-W76 PolarHBondContact O-N 3.02Å; L26-W76 HydrophobicContact CD1-CB 4.04Å; L26-W76 HydrophobicContact CD1-CG 4.11Å; L26-W76 HydrophobicContact CG-CB 3.95Å; I27-W76 PolarHBondContact N-O 3.25Å; I57-W76 HydrophobicContact CG2-CB 4.23Å; I57-W76 HydrophobicContact CG2-CE3 3.72Å; D58-W76 CarbonylContact O-C 3.57Å; D58-W76 WeakPolarHBondContact O-CA 3.48Å; F59-W76 HydrophobicContact CB-CE3 4.29Å; F59-W76 HydrophobicContact CB-CZ3 4.39Å; F59-W76 AromaticContact CD2-CD2 3.62Å; F59-W76 HydrophobicContact CD2-CD2 3.62Å; F59-W76 AromaticContact CD2-CE2 3.44Å; F59-W76 VanDerWaalsContact CD2-CE2 3.44Å; F59-W76 AromaticContact CD2-CE3 3.94Å; F59-W76 HydrophobicContact CD2-CE3 3.94Å; F59-W76 HydrophobicContact CD2-CG 4.13Å; F59-W76 HydrophobicContact CD2-CH2 4.04Å; F59-W76 AromaticContact CD2-CZ2 3.69Å; F59-W76 HydrophobicContact CD2-CZ2 3.69Å; F59-W76 HydrophobicContact CD2-CZ3 4.14Å; F59-W76 AromaticContact CD2-NE1 3.78Å; F59-W76 HydrophobicContact CE2-CD2 4.24Å; F59-W76 AromaticContact CE2-CE2 3.6Å; F59-W76 HydrophobicContact CE2-CH2 4.41Å; F59-W76 AromaticContact CE2-CZ2 3.72Å; F59-W76 HydrophobicContact CE2-CZ2 3.72Å; F59-W76 AromaticContact CE2-NE1 3.63Å; Q74-W76 VanDerWaalsContact O-CD1 3.28Å; W76-Y91 HydrophobicContact CD2-CD1 4.32Å; W76-Y91 AromaticContact CE3-CD1 3.71Å; W76-Y91 HydrophobicContact CE3-CD1 3.71Å; W76-Y91 AromaticContact CE3-CE1 3.93Å; W76-Y91 HydrophobicContact CE3-CE1 3.93Å; W76-Y91 HydrophobicContact CH2-CD1 4.04Å; W76-Y91 AromaticContact CH2-CE1 3.93Å; W76-Y91 HydrophobicContact CH2-CE1 3.93Å; W76-Y91 AromaticContact CZ3-CD1 3.55Å; W76-Y91 HydrophobicContact CZ3-CD1 3.55Å; W76-Y91 AromaticContact CZ3-CE1 3.36Å; W76-Y91 HydrophobicContact CZ3-CE1 3.36Å |
| 77 | D | 93.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 122.1 | 171.8 | 177.3 | 39.6 | 0 | 0 | 0 | 109.5 | K35 T36 L39 I57 D58 | K35-D77 VanDerWaalsContact CB-OD1 3.24Å; K35-D77 WeakPolarHBondContact CB-OD1 3.44Å; T36-D77 WeakPolarHBondContact CA-OD2 3.43Å; T36-D77 VanDerWaalsContact CB-OD2 3.24Å; T36-D77 WeakPolarHBondContact CB-OD2 3.45Å; T36-D77 WeakPolarHBondContact CG2-OD2 3.49Å; T36-D77 PolarHBondContact OG1-OD2 3.25Å; L39-D77 HydrophobicContact CD2-CB 3.72Å; I57-D77 CarbonylContact C-O 3.43Å; I57-D77 VanDerWaalsContact CA-O 3.31Å; I57-D77 WeakPolarHBondContact CA-O 3.47Å; I57-D77 VanDerWaalsContact CG2-O 3.27Å; I57-D77 WeakPolarHBondContact CG2-O 3.36Å; D58-D77 HydrophobicContact CB-CB 4.33Å; D58-D77 PolarHBondContact N-O 3.43Å; D58-D77 PolarHBondContact O-N 2.97Å |
| 78 | T | 89.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 149.4 | -170.6 | 66.4 | 0 | 0 | 0 | 0 | 112 | I27 I28 K35 I57 G80 T88 | I27-T78 PolarHBondContact O-N 2.94Å; I27-T78 PolarHBondContact O-OG1 3.35Å; I28-T78 HydrophobicContact CG2-CG2 4.1Å; K35-T78 WeakPolarHBondContact CE-O 3.41Å; I57-T78 HydrophobicContact CD1-CG2 4.45Å; I57-T78 HydrophobicContact CG2-CG2 4.45Å; T78-G80 PolarHBondContact O-N 3.39Å; T78-T88 HydrophobicContact CG2-CG2 4.06Å |
| 79 | A | 85.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -63.7 | 136.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T54 G56 Y84 | T54-A79 VanDerWaalsContact O-CB 3.31Å; T54-A79 WeakPolarHBondContact O-CB 3.5Å; G56-A79 WeakPolarHBondContact O-CB 3.37Å; G56-A79 PolarHBondContact O-N 2.94Å; A79-Y84 HydrophobicContact CB-CD2 3.63Å; A79-Y84 HydrophobicContact CB-CG 4.08Å | ||
| 80 | G | 75.7 | Confident | 86.3 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | trans | -95.6 | 3.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | G29 S31 T78 | G29-G80 VanDerWaalsContact O-CA 3.24Å; G29-G80 WeakPolarHBondContact O-CA 3.43Å; S31-G80 PolarHBondContact N-O 2.98Å; T78-G80 PolarHBondContact O-N 3.39Å | ||
| 81 | Q | 80.4 | Confident | 86 | Confident | 67 Ų | 67 | 51.1 Ų | 51.1 | 31% | 0.313 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -83.3 | 142.3 | 178.7 | -62.5 | -72.1 | 16.8 | 0 | 0 | 110.5 | S31 R83 Y84 | S31-Q81 PolarHBondContact OG-NE2 2.94Å; Q81-R83 VanDerWaalsContact C-N 3.28Å; Q81-R83 PolarHBondContact O-N 3.42Å; Q81-Y84 HydrophobicContact CB-CD2 3.9Å; Q81-Y84 HydrophobicContact CB-CE2 4.34Å; Q81-Y84 PolarHBondContact O-N 3.23Å; Q81-Y84 VanDerWaalsContact O-N 3.08Å |
| 82 | E | 72.7 | Confident | 85.8 | Confident | 129 Ų | 129 | 51 Ų | 51 | 60% | 0.603 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -62.4 | -35.8 | -175.6 | 97.7 | -64.9 | 175.3 | 0 | 0 | 112.2 | Y84 R85 | E82-Y84 PolarHBondContact O-N 2.76Å; E82-R85 WeakPolarHBondContact O-CB 3.27Å; E82-R85 PolarHBondContact O-N 3.16Å |
| 83 | R | 78.4 | Confident | 85.5 | Confident | 195 Ų | 195 | 59.4 Ų | 59.4 | 74% | 0.736 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -60.6 | -19.2 | 177.6 | -62.9 | -171.4 | -71.2 | 168.1 | -0.2 | 113.9 | Q81 | Q81-R83 VanDerWaalsContact C-N 3.28Å; Q81-R83 PolarHBondContact O-N 3.42Å |
| 84 | Y | 78.7 | Confident | 85.2 | Confident | 64 Ų | 64 | 61 Ų | 61 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -101.5 | 3.4 | 176.6 | -58.3 | -54.7 | 0 | 0 | 0 | 113.3 | A79 Q81 E82 T86 I87 T88 | A79-Y84 HydrophobicContact CB-CD2 3.63Å; A79-Y84 HydrophobicContact CB-CG 4.08Å; Q81-Y84 HydrophobicContact CB-CD2 3.9Å; Q81-Y84 HydrophobicContact CB-CE2 4.34Å; Q81-Y84 PolarHBondContact O-N 3.23Å; Q81-Y84 VanDerWaalsContact O-N 3.08Å; E82-Y84 PolarHBondContact O-N 2.76Å; Y84-T86 VanDerWaalsContact C-N 3.32Å; Y84-T86 PolarHBondContact O-N 2.76Å; Y84-I87 HydrophobicContact CD1-CD1 4.28Å; Y84-I87 WeakPolarHBondContact O-CA 3.43Å; Y84-I87 WeakPolarHBondContact O-CB 3.45Å; Y84-I87 PolarHBondContact O-N 2.98Å; Y84-T88 PolarHBondContact O-N 3.43Å; Y84-T88 PolarHBondContact O-OG1 2.96Å |
| 85 | R | 76.6 | Confident | 85.1 | Confident | 94 Ų | 94 | 58.5 Ų | 58.5 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.5 | -40.2 | -173.2 | -166.7 | 173.1 | -174.4 | 177.1 | 0.9 | 113.2 | E82 I87 T88 T89 Q119 | E82-R85 WeakPolarHBondContact O-CB 3.27Å; E82-R85 PolarHBondContact O-N 3.16Å; R85-I87 VanDerWaalsContact C-N 3.31Å; R85-I87 PolarHBondContact O-N 3.42Å; R85-T88 PolarHBondContact O-N 2.7Å; R85-T89 WeakPolarHBondContact O-CG2 3.27Å; R85-T89 PolarHBondContact O-N 3.2Å; R85-T89 PolarHBondContact O-OG1 3.2Å; R85-Q119 VanDerWaalsContact CG-OE1 3.29Å; R85-Q119 VanDerWaalsContact NE-NE2 3.19Å; R85-Q119 VanDerWaalsContact NH2-CD 3.3Å |
| 86 | T | 78.9 | Confident | 85.1 | Confident | 120 Ų | 120 | 59.9 Ų | 59.9 | 74% | 0.736 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.3 | -36 | 176 | -52 | 0 | 0 | 0 | 0 | 112.7 | Y84 T89 A90 | Y84-T86 VanDerWaalsContact C-N 3.32Å; Y84-T86 PolarHBondContact O-N 2.76Å; T86-T89 PolarHBondContact O-OG1 2.91Å; T86-A90 PolarHBondContact O-N 3.41Å |
| 87 | I | 77.2 | Confident | 85.2 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.1 | -49 | 175.4 | -60.9 | 176.5 | 0 | 0 | 0 | 108.2 | I57 Y84 R85 T89 A90 Y91 | I57-I87 HydrophobicContact CD1-CG2 4.15Å; I57-I87 HydrophobicContact CG1-CG2 4.37Å; Y84-I87 HydrophobicContact CD1-CD1 4.28Å; Y84-I87 WeakPolarHBondContact O-CA 3.43Å; Y84-I87 WeakPolarHBondContact O-CB 3.45Å; Y84-I87 PolarHBondContact O-N 2.98Å; R85-I87 VanDerWaalsContact C-N 3.31Å; R85-I87 PolarHBondContact O-N 3.42Å; I87-T89 PolarHBondContact O-N 2.89Å; I87-A90 WeakPolarHBondContact O-CB 3.31Å; I87-A90 PolarHBondContact O-N 3.39Å; I87-Y91 HydrophobicContact CG2-CE2 3.92Å; I87-Y91 WeakPolarHBondContact O-CD2 3.44Å |
| 88 | T | 80.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.8 | -47.2 | 179.7 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | I28 T78 Y84 R85 A90 Y91 Y92 W116 | I28-T88 HydrophobicContact CG2-CG2 4.37Å; T78-T88 HydrophobicContact CG2-CG2 4.06Å; Y84-T88 PolarHBondContact O-N 3.43Å; Y84-T88 PolarHBondContact O-OG1 2.96Å; R85-T88 PolarHBondContact O-N 2.7Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 3.13Å; T88-Y91 PolarHBondContact O-N 3.2Å; T88-Y92 HydrophobicContact CG2-CE1 3.64Å; T88-Y92 WeakPolarHBondContact O-CD1 3.32Å; T88-Y92 WeakPolarHBondContact O-CE1 3.46Å; T88-W116 HydrophobicContact CG2-CZ3 4.15Å |
| 89 | T | 83 | Confident | 85.9 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.5 | -26.8 | -178.2 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | R85 T86 I87 Y91 Y92 Q119 Y123 | R85-T89 WeakPolarHBondContact O-CG2 3.27Å; R85-T89 PolarHBondContact O-N 3.2Å; R85-T89 PolarHBondContact O-OG1 3.2Å; T86-T89 PolarHBondContact O-OG1 2.91Å; I87-T89 PolarHBondContact O-N 2.89Å; T89-Y91 PolarHBondContact O-N 3.03Å; T89-Y92 HydrophobicContact CG2-CE2 4.45Å; T89-Y92 WeakPolarHBondContact O-CB 3.15Å; T89-Y92 PolarHBondContact O-N 2.94Å; T89-Y92 VanDerWaalsContact O-N 3.12Å; T89-Q119 HydrophobicContact CG2-CG 4.47Å; T89-Y123 HydrophobicContact CG2-CD2 3.73Å; T89-Y123 HydrophobicContact CG2-CE2 3.94Å; T89-Y123 HydrophobicContact CG2-CG 4.49Å |
| 90 | A | 86.2 | Confident | 86.5 | Confident | 74 Ų | 74 | 57.5 Ų | 57.5 | 61% | 0.612 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.9 | -24.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T86 I87 T88 | T86-A90 PolarHBondContact O-N 3.41Å; I87-A90 WeakPolarHBondContact O-CB 3.31Å; I87-A90 PolarHBondContact O-N 3.39Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 3.13Å |
| 91 | Y | 88.7 | Confident | 87.6 | Confident | 81 Ų | 81 | 57.1 Ų | 57.1 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -4.9 | 179.5 | -66.9 | -102.4 | 0 | 0 | 0 | 113.4 | K24 I57 W76 I87 T88 T89 R93 | K24-Y91 PolarHBondContact NZ-O 2.96Å; I57-Y91 HydrophobicContact CD1-CD1 4.15Å; I57-Y91 HydrophobicContact CD1-CD2 3.1Å; I57-Y91 HydrophobicContact CD1-CE1 4.26Å; I57-Y91 HydrophobicContact CD1-CE2 3.27Å; I57-Y91 HydrophobicContact CD1-CG 3.58Å; I57-Y91 HydrophobicContact CG1-CE2 4.43Å; W76-Y91 HydrophobicContact CD2-CD1 4.32Å; W76-Y91 AromaticContact CE3-CD1 3.71Å; W76-Y91 HydrophobicContact CE3-CD1 3.71Å; W76-Y91 AromaticContact CE3-CE1 3.93Å; W76-Y91 HydrophobicContact CE3-CE1 3.93Å; W76-Y91 HydrophobicContact CH2-CD1 4.04Å; W76-Y91 AromaticContact CH2-CE1 3.93Å; W76-Y91 HydrophobicContact CH2-CE1 3.93Å; W76-Y91 AromaticContact CZ3-CD1 3.55Å; W76-Y91 HydrophobicContact CZ3-CD1 3.55Å; W76-Y91 AromaticContact CZ3-CE1 3.36Å; W76-Y91 HydrophobicContact CZ3-CE1 3.36Å; I87-Y91 HydrophobicContact CG2-CE2 3.92Å; I87-Y91 WeakPolarHBondContact O-CD2 3.44Å; T88-Y91 PolarHBondContact O-N 3.2Å; T89-Y91 PolarHBondContact O-N 3.03Å; Y91-R93 VanDerWaalsContact C-N 3.26Å; Y91-R93 PolarHBondContact O-N 2.91Å |
| 92 | Y | 92.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -68.6 | -29 | -178 | -76 | 20.6 | 0 | 0 | 0 | 111.8 | L26 I28 T88 T89 G94 A95 F98 W116 Q119 I120 | L26-Y92 HydrophobicContact CD2-CD1 3.5Å; L26-Y92 HydrophobicContact CD2-CE1 3.9Å; L26-Y92 HydrophobicContact CD2-CG 4.5Å; I28-Y92 WeakPolarHBondContact CD1-OH 3.3Å; I28-Y92 HydrophobicContact CG2-CE1 3.96Å; T88-Y92 HydrophobicContact CG2-CE1 3.64Å; T88-Y92 WeakPolarHBondContact O-CD1 3.32Å; T88-Y92 WeakPolarHBondContact O-CE1 3.46Å; T89-Y92 HydrophobicContact CG2-CE2 4.45Å; T89-Y92 WeakPolarHBondContact O-CB 3.15Å; T89-Y92 PolarHBondContact O-N 2.94Å; T89-Y92 VanDerWaalsContact O-N 3.12Å; Y92-G94 PolarHBondContact O-N 3.37Å; Y92-A95 VanDerWaalsContact O-CB 3.24Å; Y92-A95 WeakPolarHBondContact O-CB 3.35Å; Y92-A95 PolarHBondContact O-N 2.89Å; Y92-A95 VanDerWaalsContact O-N 3.09Å; Y92-F98 AromaticContact CD1-CE1 3.81Å; Y92-F98 HydrophobicContact CD1-CE1 3.81Å; Y92-F98 HydrophobicContact CD1-CZ 4.31Å; Y92-F98 HydrophobicContact CD2-CE1 4.07Å; Y92-F98 HydrophobicContact CD2-CZ 4.19Å; Y92-F98 AromaticContact CE1-CE1 3.97Å; Y92-F98 HydrophobicContact CE1-CE1 3.97Å; Y92-F98 HydrophobicContact CE2-CE1 4.23Å; Y92-F98 AromaticContact CG-CE1 3.86Å; Y92-F98 HydrophobicContact CG-CE1 3.86Å; Y92-F98 AromaticContact CG-CZ 3.96Å; Y92-F98 HydrophobicContact CG-CZ 3.96Å; Y92-W116 WeakPolarHBondContact OH-CZ3 2.85Å; Y92-Q119 HydrophobicContact CE2-CB 3.83Å; Y92-I120 HydrophobicContact CE2-CG1 4.11Å | ||
| 93 | R | 90.2 | Very high | 89.7 | Confident | 211 Ų | 211 | 48 Ų | 48 | 80% | 0.796 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 123.3 | 175.2 | -173.3 | 176.7 | 171.9 | 83.8 | 1.4 | 110.3 | K24 Y91 A95 | K24-R93 PolarHBondContact NZ-O 2.98Å; Y91-R93 VanDerWaalsContact C-N 3.26Å; Y91-R93 PolarHBondContact O-N 2.91Å; R93-A95 VanDerWaalsContact C-N 3.31Å; R93-A95 PolarHBondContact O-N 2.95Å |
| 94 | G | 91.4 | Very high | 90.6 | Very high | 33 Ų | 33 | 38.7 Ų | 38.7 | 34% | 0.34 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 11 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K24 Y92 M96 W125 | K24-G94 WeakPolarHBondContact CB-O 3.42Å; K24-G94 VanDerWaalsContact CD-O 3.26Å; K24-G94 WeakPolarHBondContact CD-O 3.35Å; Y92-G94 PolarHBondContact O-N 3.37Å; G94-M96 PolarHBondContact O-N 2.66Å; G94-W125 VanDerWaalsContact CA-CE2 3.47Å; G94-W125 WeakPolarHBondContact O-CZ2 3.44Å |
| 95 | A | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -75.5 | 105.5 | 170 | 0 | 0 | 0 | 0 | 0 | 113.7 | K24 L26 Y92 R93 G97 F98 W125 A128 | K24-A95 HydrophobicContact CD-CB 4.47Å; K24-A95 CarbonylContact O-C 3.57Å; L26-A95 HydrophobicContact CD1-CB 3.52Å; L26-A95 HydrophobicContact CD2-CB 4.26Å; L26-A95 HydrophobicContact CG-CB 4.36Å; Y92-A95 VanDerWaalsContact O-CB 3.24Å; Y92-A95 WeakPolarHBondContact O-CB 3.35Å; Y92-A95 PolarHBondContact O-N 2.89Å; Y92-A95 VanDerWaalsContact O-N 3.09Å; R93-A95 VanDerWaalsContact C-N 3.31Å; R93-A95 PolarHBondContact O-N 2.95Å; A95-G97 VanDerWaalsContact C-N 3.28Å; A95-G97 PolarHBondContact O-N 2.83Å; A95-F98 HydrophobicContact CB-CD2 4.43Å; A95-F98 HydrophobicContact CB-CE1 4.08Å; A95-F98 HydrophobicContact CB-CE2 3.59Å; A95-F98 HydrophobicContact CB-CZ 3.39Å; A95-W125 VanDerWaalsContact C-CE2 3.44Å; A95-W125 VanDerWaalsContact O-CE2 3.27Å; A95-W125 PolarHBondContact O-NE1 2.56Å; A95-A128 WeakPolarHBondContact O-CB 3.34Å | ||
| 96 | M | 96.4 | Very high | 92.6 | Very high | 28 Ų | 28 | 35.2 Ų | 35.2 | 14% | 0.138 | 19% | 0.19 | C | C | . | . | trans | -69.8 | -31.1 | -175.3 | -67 | 174.8 | 83.3 | 0 | 0 | 112.1 | F23 K24 G94 W125 Q129 I183 M187 | F23-M96 HydrophobicContact CB-SD 4.09Å; F23-M96 HydrophobicContact CD1-CE 3.56Å; F23-M96 HydrophobicContact CD1-SD 3.53Å; F23-M96 VanDerWaalsContact CD1-SD 3.53Å; F23-M96 HydrophobicContact CE1-CE 3.8Å; F23-M96 HydrophobicContact CE1-SD 4.35Å; F23-M96 HydrophobicContact CG-CE 4.38Å; F23-M96 HydrophobicContact CG-SD 4.1Å; K24-M96 PolarHBondContact O-N 3.31Å; G94-M96 PolarHBondContact O-N 2.66Å; M96-W125 VanDerWaalsContact CA-CZ2 3.41Å; M96-W125 HydrophobicContact CB-CH2 4.26Å; M96-W125 HydrophobicContact CB-CZ2 3.95Å; M96-W125 HydrophobicContact CG-CH2 3.24Å; M96-W125 HydrophobicContact CG-CZ2 3.27Å; M96-W125 HydrophobicContact CG-CZ3 4.46Å; M96-W125 VanDerWaalsContact N-CZ2 3.26Å; M96-W125 HydrophobicContact SD-CH2 4.37Å; M96-Q129 PolarHBondContact O-N 2.86Å; M96-I183 HydrophobicContact CB-CD1 3.96Å; M96-I183 HydrophobicContact CB-CG1 4.34Å; M96-I183 HydrophobicContact CB-CG2 4.19Å; M96-I183 HydrophobicContact CE-CG2 3.51Å; M96-M187 HydrophobicContact CE-CE 4.4Å; M96-M187 HydrophobicContact CE-CG 4.17Å; M96-M187 HydrophobicContact CE-SD 3.42Å; M96-M187 WeakPolarHBondContact CE-SD 3.26Å | ||
| 97 | G | 97.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K24 I25 L26 A95 Q129 | K24-G97 PolarHBondContact O-N 2.89Å; I25-G97 CarbonylContact C-O 3.59Å; I25-G97 VanDerWaalsContact CA-O 3.3Å; I25-G97 WeakPolarHBondContact CA-O 3.47Å; L26-G97 PolarHBondContact N-O 2.95Å; A95-G97 VanDerWaalsContact C-N 3.28Å; A95-G97 PolarHBondContact O-N 2.83Å; G97-Q129 CarbonylContact C-O 3.47Å; G97-Q129 VanDerWaalsContact CA-O 3.24Å; G97-Q129 WeakPolarHBondContact CA-O 3.25Å |
| 98 | F | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 133.7 | 170.5 | -67.8 | -95.6 | 0 | 0 | 0 | 109.8 | L26 I28 Y92 A95 I120 A128 Q129 V130 L131 | L26-F98 HydrophobicContact CB-CD1 3.8Å; L26-F98 HydrophobicContact CB-CE1 3.92Å; L26-F98 HydrophobicContact CD2-CE1 3.8Å; L26-F98 HydrophobicContact CD2-CZ 4.47Å; L26-F98 HydrophobicContact CG-CE1 4.42Å; L26-F98 CarbonylContact O-C 3.59Å; L26-F98 WeakPolarHBondContact O-CA 3.29Å; I28-F98 HydrophobicContact CD1-CD1 3.99Å; I28-F98 HydrophobicContact CG1-CD1 4.36Å; I28-F98 HydrophobicContact CG2-CD1 4.42Å; Y92-F98 AromaticContact CD1-CE1 3.81Å; Y92-F98 HydrophobicContact CD1-CE1 3.81Å; Y92-F98 HydrophobicContact CD1-CZ 4.31Å; Y92-F98 HydrophobicContact CD2-CE1 4.07Å; Y92-F98 HydrophobicContact CD2-CZ 4.19Å; Y92-F98 AromaticContact CE1-CE1 3.97Å; Y92-F98 HydrophobicContact CE1-CE1 3.97Å; Y92-F98 HydrophobicContact CE2-CE1 4.23Å; Y92-F98 AromaticContact CG-CE1 3.86Å; Y92-F98 HydrophobicContact CG-CE1 3.86Å; Y92-F98 AromaticContact CG-CZ 3.96Å; Y92-F98 HydrophobicContact CG-CZ 3.96Å; A95-F98 HydrophobicContact CB-CD2 4.43Å; A95-F98 HydrophobicContact CB-CE1 4.08Å; A95-F98 HydrophobicContact CB-CE2 3.59Å; A95-F98 HydrophobicContact CB-CZ 3.39Å; F98-I120 HydrophobicContact CB-CD1 4.13Å; F98-I120 HydrophobicContact CD1-CD1 4.28Å; F98-I120 HydrophobicContact CD1-CG1 4.09Å; F98-I120 HydrophobicContact CD2-CG2 3.86Å; F98-I120 HydrophobicContact CE1-CG1 4.26Å; F98-I120 HydrophobicContact CE2-CG2 3.81Å; F98-I120 HydrophobicContact CG-CD1 4.13Å; F98-I120 HydrophobicContact CG-CG1 4.27Å; F98-I120 HydrophobicContact CG-CG2 4.31Å; F98-I120 HydrophobicContact CZ-CG2 4.21Å; F98-A128 HydrophobicContact CD2-CB 4.03Å; F98-A128 HydrophobicContact CE2-CB 3.73Å; F98-Q129 PolarHBondContact N-O 2.94Å; F98-V130 HydrophobicContact CB-CB 4.46Å; F98-V130 HydrophobicContact CB-CG1 4.1Å; F98-V130 HydrophobicContact CB-CG2 4.16Å; F98-V130 HydrophobicContact CD2-CG2 4.37Å; F98-V130 WeakPolarHBondContact O-CA 3.41Å; F98-L131 PolarHBondContact O-N 2.79Å |
| 99 | I | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 103.9 | 162 | -60.9 | 177.2 | 0 | 0 | 0 | 105.8 | I25 L26 I27 I28 F38 M101 V133 T175 F176 L179 | I25-I99 HydrophobicContact CG2-CD1 4.41Å; I25-I99 HydrophobicContact CG2-CG1 4.38Å; L26-I99 PolarHBondContact O-N 3.05Å; I27-I99 WeakPolarHBondContact CA-O 3.49Å; I27-I99 HydrophobicContact CG1-CB 4.42Å; I27-I99 HydrophobicContact CG1-CD1 4.49Å; I27-I99 HydrophobicContact CG2-CB 4.26Å; I27-I99 HydrophobicContact CG2-CG2 4.25Å; I28-I99 PolarHBondContact N-O 3.24Å; F38-I99 HydrophobicContact CE1-CD1 4.44Å; I99-M101 HydrophobicContact CG2-CE 4.17Å; I99-V133 HydrophobicContact CG2-CB 4.37Å; I99-V133 HydrophobicContact CG2-CG2 3.7Å; I99-T175 HydrophobicContact CD1-CG2 4.02Å; I99-T175 HydrophobicContact CG1-CG2 4.3Å; I99-T175 HydrophobicContact CG2-CG2 4.35Å; I99-F176 HydrophobicContact CD1-CD1 3.82Å; I99-F176 HydrophobicContact CD1-CD2 4.35Å; I99-F176 HydrophobicContact CD1-CE1 3.52Å; I99-F176 HydrophobicContact CD1-CE2 4.1Å; I99-F176 HydrophobicContact CD1-CG 4.22Å; I99-F176 HydrophobicContact CD1-CZ 3.68Å; I99-L179 HydrophobicContact CD1-CD2 4.3Å; I99-L179 HydrophobicContact CG1-CD2 3.73Å |
| 100 | L | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 115.9 | 175.8 | 175.3 | 51.8 | 0 | 0 | 0 | 108.8 | I28 V113 W116 I120 V130 L131 L132 V133 F159 | I28-L100 HydrophobicContact CD1-CD1 4.01Å; I28-L100 HydrophobicContact CG1-CB 4.26Å; I28-L100 HydrophobicContact CG1-CD1 3.87Å; L100-V113 HydrophobicContact CD2-CG1 3.77Å; L100-V113 HydrophobicContact CG-CG1 4.34Å; L100-W116 HydrophobicContact CD1-CB 3.39Å; L100-W116 HydrophobicContact CD1-CG 3.77Å; L100-W116 HydrophobicContact CD2-CB 3.96Å; L100-W116 HydrophobicContact CG-CB 4.35Å; L100-I120 HydrophobicContact CD2-CD1 4.4Å; L100-V130 HydrophobicContact CB-CG1 4.19Å; L100-L131 PolarHBondContact N-O 2.86Å; L100-L132 HydrophobicContact CB-CD1 4.41Å; L100-L132 HydrophobicContact CD2-CD1 4.37Å; L100-L132 HydrophobicContact CG-CD1 4Å; L100-L132 CarbonylContact O-C 3.55Å; L100-L132 WeakPolarHBondContact O-CA 3.48Å; L100-L132 WeakPolarHBondContact O-CD1 3.39Å; L100-V133 PolarHBondContact O-N 2.85Å; L100-F159 HydrophobicContact CD2-CE2 4.2Å |
| 101 | M | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 136 | -170.6 | -166 | 173.4 | -73.5 | 0 | 0 | 112.2 | I27 I28 G29 V33 K35 F38 I99 V133 N135 | I27-M101 HydrophobicContact CG2-CE 4.44Å; I28-M101 PolarHBondContact O-N 2.97Å; G29-M101 WeakPolarHBondContact CA-O 3.31Å; V33-M101 HydrophobicContact CB-CG 4.4Å; V33-M101 HydrophobicContact CG2-CB 4Å; V33-M101 HydrophobicContact CG2-CG 3.95Å; V33-M101 HydrophobicContact CG2-SD 4.25Å; K35-M101 HydrophobicContact CG-CB 4.41Å; K35-M101 HydrophobicContact CG-SD 4.31Å; F38-M101 HydrophobicContact CB-CE 3.77Å; F38-M101 HydrophobicContact CB-SD 4.43Å; F38-M101 HydrophobicContact CD1-CE 3.7Å; F38-M101 HydrophobicContact CD2-CE 3.68Å; F38-M101 HydrophobicContact CE1-CE 4.13Å; F38-M101 HydrophobicContact CE2-CE 4.12Å; F38-M101 HydrophobicContact CG-CE 3.45Å; F38-M101 VanDerWaalsContact CG-CE 3.45Å; F38-M101 HydrophobicContact CZ-CE 4.32Å; I99-M101 HydrophobicContact CG2-CE 4.17Å; M101-V133 WeakPolarHBondContact CA-O 3.25Å; M101-V133 HydrophobicContact CE-CB 4.37Å; M101-V133 HydrophobicContact CE-CG1 4.12Å; M101-V133 HydrophobicContact CG-CB 4.42Å; M101-N135 HydrophobicContact CE-CB 4.43Å; M101-N135 HydrophobicContact CG-CB 3.69Å; M101-N135 HydrophobicContact SD-CB 3.64Å |
| 102 | Y | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 168.9 | 163.3 | 73.3 | -86.6 | 0 | 0 | 0 | 109.8 | I104 F110 V113 L132 V133 G134 N135 V145 G150 F161 | Y102-I104 HydrophobicContact CE2-CG2 4.03Å; Y102-F110 HydrophobicContact CD1-CD2 4.21Å; Y102-F110 HydrophobicContact CD2-CB 3.92Å; Y102-F110 AromaticContact CD2-CD2 3.94Å; Y102-F110 HydrophobicContact CD2-CD2 3.94Å; Y102-F110 HydrophobicContact CD2-CG 4.42Å; Y102-F110 HydrophobicContact CE1-CD2 4.06Å; Y102-F110 HydrophobicContact CE1-CE2 4.48Å; Y102-F110 HydrophobicContact CE2-CB 4.41Å; Y102-F110 AromaticContact CE2-CD2 3.8Å; Y102-F110 HydrophobicContact CE2-CD2 3.8Å; Y102-F110 HydrophobicContact CG-CB 4.31Å; Y102-F110 HydrophobicContact CG-CD2 4.15Å; Y102-F110 AromaticContact CZ-CD2 3.86Å; Y102-V113 HydrophobicContact CD1-CG2 4.1Å; Y102-V113 HydrophobicContact CG-CG2 4.32Å; Y102-L132 HydrophobicContact CD1-CD1 3.92Å; Y102-L132 HydrophobicContact CD1-CG 4.32Å; Y102-L132 HydrophobicContact CE1-CD1 4.22Å; Y102-L132 HydrophobicContact CE1-CD2 4.26Å; Y102-L132 HydrophobicContact CE1-CG 4.11Å; Y102-V133 WeakPolarHBondContact CD1-O 3.21Å; Y102-V133 PolarHBondContact N-O 2.94Å; Y102-G134 VanDerWaalsContact CE1-CA 3.45Å; Y102-G134 VanDerWaalsContact CZ-CA 3.41Å; Y102-N135 PolarHBondContact O-N 3.3Å; Y102-V145 HydrophobicContact CE2-CB 4.06Å; Y102-V145 HydrophobicContact CE2-CG1 3.79Å; Y102-V145 HydrophobicContact CE2-CG2 4.41Å; Y102-G150 WeakPolarHBondContact OH-CA 3.36Å; Y102-F161 HydrophobicContact CE1-CE2 4.01Å; Y102-F161 WeakPolarHBondContact OH-CE2 3.45Å |
| 103 | D | 98.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.027 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125.3 | 176.7 | 174.7 | 2.7 | 0 | 0 | 0 | 109.4 | V33 T105 N106 S109 K136 | V33-D103 HydrophobicContact CB-CB 4.15Å; V33-D103 HydrophobicContact CG1-CB 4.1Å; D103-T105 PolarHBondContact O-N 2.86Å; D103-T105 VanDerWaalsContact O-N 3.14Å; D103-T105 PolarHBondContact OD1-N 2.9Å; D103-T105 PolarHBondContact OD1-OG1 3.03Å; D103-T105 PolarHBondContact OD2-OG1 2.91Å; D103-N106 HydrophobicContact CB-CB 3.97Å; D103-N106 PolarHBondContact O-N 2.87Å; D103-S109 PolarHBondContact N-OG 3.01Å; D103-S109 PolarHBondContact O-OG 3.29Å; D103-K136 WeakPolarHBondContact OD1-CD 3.41Å; D103-K136 WeakPolarHBondContact OD2-CD 3.49Å; D103-K136 WeakPolarHBondContact OD2-CE 3.35Å; D103-K136 IonicContact OD2-NZ 3.13Å; D103-K136 PolarHBondContact OD2-NZ 2.8Å |
| 104 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17.8 | -176.7 | 65.5 | 149 | 0 | 0 | 0 | 113.6 | Y102 N135 K136 C137 R143 V144 V145 | Y102-I104 HydrophobicContact CE2-CG2 4.03Å; I104-N135 WeakPolarHBondContact CG1-O 3.45Å; I104-N135 PolarHBondContact N-O 2.83Å; I104-K136 WeakPolarHBondContact CD1-O 3.27Å; I104-K136 HydrophobicContact CG1-CB 4.48Å; I104-K136 WeakPolarHBondContact CG1-O 3.23Å; I104-C137 HydrophobicContact CD1-CB 4.46Å; I104-R143 HydrophobicContact CD1-CB 4.18Å; I104-R143 HydrophobicContact CD1-CG 4.18Å; I104-R143 VanDerWaalsContact CD1-CZ 3.42Å; I104-V144 PolarHBondContact O-N 3.41Å; I104-V145 PolarHBondContact O-N 3.33Å |
| 105 | T | 98.6 | Very high | 97.8 | Very high | 33 Ų | 33 | 30.3 Ų | 30.3 | 20% | 0.202 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 0.3 | 176.6 | 74.2 | 0 | 0 | 0 | 0 | 112.4 | D103 M139 E142 V144 | D103-T105 PolarHBondContact O-N 2.86Å; D103-T105 VanDerWaalsContact O-N 3.14Å; D103-T105 PolarHBondContact OD1-N 2.9Å; D103-T105 PolarHBondContact OD1-OG1 3.03Å; D103-T105 PolarHBondContact OD2-OG1 2.91Å; T105-M139 HydrophobicContact CG2-CB 3.65Å; T105-M139 HydrophobicContact CG2-CE 4.21Å; T105-M139 HydrophobicContact CG2-SD 4.2Å; T105-E142 WeakPolarHBondContact CB-O 3.45Å; T105-E142 HydrophobicContact CG2-CB 3.79Å; T105-V144 VanDerWaalsContact C-CG2 3.42Å; T105-V144 WeakPolarHBondContact O-CG2 3.37Å |
| 106 | N | 98.3 | Very high | 97.7 | Very high | 51 Ų | 51 | 31 Ų | 31 | 27% | 0.273 | 16% | 0.157 | S | C | . | . | trans | -128.8 | 100.2 | -176.7 | -173 | -38.2 | 0 | 0 | 0 | 112.3 | D103 E108 S109 F110 | D103-N106 HydrophobicContact CB-CB 3.97Å; D103-N106 PolarHBondContact O-N 2.87Å; N106-E108 VanDerWaalsContact C-N 3.32Å; N106-E108 PolarHBondContact O-N 3.3Å; N106-E108 WeakPolarHBondContact OD1-CB 3.02Å; N106-E108 PolarHBondContact OD1-N 3.48Å; N106-S109 WeakPolarHBondContact O-CB 3.31Å; N106-S109 PolarHBondContact O-N 3.28Å; N106-S109 VanDerWaalsContact O-N 3.17Å; N106-S109 PolarHBondContact O-OG 2.9Å; N106-S109 PolarHBondContact OD1-N 3.26Å; N106-F110 PolarHBondContact O-N 2.67Å | ||
| 107 | E | 98.3 | Very high | 97.7 | Very high | 62 Ų | 62 | 29.7 Ų | 29.7 | 29% | 0.29 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -58.9 | -36.8 | 178.8 | -174.2 | 64.3 | -152.8 | 0 | 0 | 113.3 | S109 F110 N111 V144 R149 | E107-S109 VanDerWaalsContact C-N 3.33Å; E107-S109 PolarHBondContact O-N 3.35Å; E107-F110 PolarHBondContact O-N 3.36Å; E107-N111 PolarHBondContact O-N 2.93Å; E107-N111 PolarHBondContact O-ND2 2.85Å; E107-N111 VanDerWaalsContact O-ND2 3.16Å; E107-V144 HydrophobicContact CB-CG2 4.03Å; E107-R149 IonicContact OE1-CZ 2.8Å; E107-R149 IonicContact OE1-NH1 3.71Å; E107-R149 PolarHBondContact OE1-NH1 3.09Å; E107-R149 IonicContact OE1-NH2 3.75Å; E107-R149 PolarHBondContact OE1-NH2 2.85Å; E107-R149 IonicContact OE2-CZ 3.31Å; E107-R149 IonicContact OE2-NH1 3.94Å; E107-R149 PolarHBondContact OE2-NH1 3.46Å; E107-R149 IonicContact OE2-NH2 3.44Å |
| 108 | E | 97.9 | Very high | 97.5 | Very high | 143 Ų | 143 | 33.6 Ų | 33.6 | 67% | 0.668 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -64.5 | -39.9 | 178 | -173.9 | -175.6 | 176.1 | 0 | 0 | 111.3 | N106 F110 N111 A112 | N106-E108 VanDerWaalsContact C-N 3.32Å; N106-E108 PolarHBondContact O-N 3.3Å; N106-E108 WeakPolarHBondContact OD1-CB 3.02Å; N106-E108 PolarHBondContact OD1-N 3.48Å; E108-F110 VanDerWaalsContact C-N 3.28Å; E108-F110 PolarHBondContact O-N 3Å; E108-N111 PolarHBondContact O-N 3.11Å; E108-A112 WeakPolarHBondContact O-CB 3.33Å; E108-A112 PolarHBondContact O-N 3.36Å |
| 109 | S | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.4 | -34 | 176.9 | 81.3 | 0 | 0 | 0 | 0 | 112.7 | D103 N106 E107 | D103-S109 PolarHBondContact N-OG 3.01Å; D103-S109 PolarHBondContact O-OG 3.29Å; N106-S109 WeakPolarHBondContact O-CB 3.31Å; N106-S109 PolarHBondContact O-N 3.28Å; N106-S109 VanDerWaalsContact O-N 3.17Å; N106-S109 PolarHBondContact O-OG 2.9Å; N106-S109 PolarHBondContact OD1-N 3.26Å; E107-S109 VanDerWaalsContact C-N 3.33Å; E107-S109 PolarHBondContact O-N 3.35Å |
| 110 | F | 98.7 | Very high | 97 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.2 | -45.1 | 174.6 | 175.8 | -103 | 0 | 0 | 0 | 111.6 | Y102 N106 E107 E108 A112 V113 V145 R149 L153 | Y102-F110 HydrophobicContact CD1-CD2 4.21Å; Y102-F110 HydrophobicContact CD2-CB 3.92Å; Y102-F110 AromaticContact CD2-CD2 3.94Å; Y102-F110 HydrophobicContact CD2-CD2 3.94Å; Y102-F110 HydrophobicContact CD2-CG 4.42Å; Y102-F110 HydrophobicContact CE1-CD2 4.06Å; Y102-F110 HydrophobicContact CE1-CE2 4.48Å; Y102-F110 HydrophobicContact CE2-CB 4.41Å; Y102-F110 AromaticContact CE2-CD2 3.8Å; Y102-F110 HydrophobicContact CE2-CD2 3.8Å; Y102-F110 HydrophobicContact CG-CB 4.31Å; Y102-F110 HydrophobicContact CG-CD2 4.15Å; Y102-F110 AromaticContact CZ-CD2 3.86Å; N106-F110 PolarHBondContact O-N 2.67Å; E107-F110 PolarHBondContact O-N 3.36Å; E108-F110 VanDerWaalsContact C-N 3.28Å; E108-F110 PolarHBondContact O-N 3Å; F110-A112 PolarHBondContact O-N 3.42Å; F110-V113 WeakPolarHBondContact O-CB 3.47Å; F110-V113 VanDerWaalsContact O-CG2 3.25Å; F110-V113 WeakPolarHBondContact O-CG2 3.47Å; F110-V113 PolarHBondContact O-N 2.92Å; F110-V145 HydrophobicContact CB-CG1 4.38Å; F110-V145 HydrophobicContact CB-CG2 3.75Å; F110-V145 HydrophobicContact CD1-CG1 4.22Å; F110-V145 HydrophobicContact CD1-CG2 4.47Å; F110-V145 HydrophobicContact CD2-CG1 3.67Å; F110-V145 HydrophobicContact CE1-CG1 4.46Å; F110-V145 HydrophobicContact CE2-CG1 3.93Å; F110-V145 HydrophobicContact CG-CG1 3.82Å; F110-V145 HydrophobicContact CG-CG2 4.03Å; F110-V145 HydrophobicContact CZ-CG1 4.31Å; F110-R149 HydrophobicContact CZ-CB 4.09Å; F110-L153 HydrophobicContact CD2-CD2 4.09Å; F110-L153 HydrophobicContact CE1-CD2 4.31Å; F110-L153 HydrophobicContact CE2-CB 4.04Å; F110-L153 HydrophobicContact CE2-CD2 3.45Å; F110-L153 VanDerWaalsContact CE2-CD2 3.45Å; F110-L153 HydrophobicContact CE2-CG 4.39Å; F110-L153 HydrophobicContact CZ-CB 3.9Å; F110-L153 HydrophobicContact CZ-CD2 3.6Å; F110-L153 HydrophobicContact CZ-CG 4.37Å |
| 111 | N | 98 | Very high | 96.7 | Very high | 87 Ų | 87 | 40.7 Ų | 40.7 | 47% | 0.465 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.1 | -34 | 178 | -69.9 | -33.1 | 0 | 0 | 0 | 112.2 | E107 E108 V113 | E107-N111 PolarHBondContact O-N 2.93Å; E107-N111 PolarHBondContact O-ND2 2.85Å; E107-N111 VanDerWaalsContact O-ND2 3.16Å; E108-N111 PolarHBondContact O-N 3.11Å; N111-V113 PolarHBondContact O-N 3.01Å |
| 112 | A | 96.9 | Very high | 96.5 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -12.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | N30 E108 F110 Q114 D115 W116 | N30-A112 VanDerWaalsContact OD1-CB 3.3Å; N30-A112 WeakPolarHBondContact OD1-CB 3.24Å; E108-A112 WeakPolarHBondContact O-CB 3.33Å; E108-A112 PolarHBondContact O-N 3.36Å; F110-A112 PolarHBondContact O-N 3.42Å; A112-Q114 PolarHBondContact O-N 2.99Å; A112-D115 WeakPolarHBondContact O-CB 3.24Å; A112-D115 PolarHBondContact O-N 3.5Å; A112-D115 VanDerWaalsContact O-N 3.11Å; A112-W116 PolarHBondContact O-N 3.31Å; A112-W116 VanDerWaalsContact O-N 3.08Å |
| 113 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.2 | -37 | -179.5 | 168.6 | 0 | 0 | 0 | 0 | 111.8 | L100 Y102 F110 N111 D115 W116 S117 L132 L153 L157 | L100-V113 HydrophobicContact CD2-CG1 3.77Å; L100-V113 HydrophobicContact CG-CG1 4.34Å; Y102-V113 HydrophobicContact CD1-CG2 4.1Å; Y102-V113 HydrophobicContact CG-CG2 4.32Å; F110-V113 WeakPolarHBondContact O-CB 3.47Å; F110-V113 VanDerWaalsContact O-CG2 3.25Å; F110-V113 WeakPolarHBondContact O-CG2 3.47Å; F110-V113 PolarHBondContact O-N 2.92Å; N111-V113 PolarHBondContact O-N 3.01Å; V113-D115 PolarHBondContact O-N 3.08Å; V113-W116 PolarHBondContact O-N 3.11Å; V113-S117 WeakPolarHBondContact O-CB 3.24Å; V113-S117 PolarHBondContact O-N 3.35Å; V113-L132 HydrophobicContact CG1-CD1 3.6Å; V113-L132 HydrophobicContact CG1-CD2 4.35Å; V113-L132 HydrophobicContact CG2-CD1 4.01Å; V113-L153 HydrophobicContact CB-CD2 3.84Å; V113-L153 HydrophobicContact CG1-CD2 3.67Å; V113-L153 HydrophobicContact CG1-CG 4.37Å; V113-L153 HydrophobicContact CG2-CD2 4.48Å; V113-L157 HydrophobicContact CG1-CD1 3.88Å |
| 114 | Q | 96.5 | Very high | 95.7 | Very high | 103 Ų | 103 | 51.7 Ų | 51.7 | 48% | 0.481 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 178.4 | -66.6 | -176.5 | 38.1 | 0 | 0 | 112 | A112 S117 T118 L153 | A112-Q114 PolarHBondContact O-N 2.99Å; Q114-S117 PolarHBondContact O-N 2.68Å; Q114-T118 WeakPolarHBondContact O-CB 3.27Å; Q114-T118 PolarHBondContact O-N 2.83Å; Q114-T118 PolarHBondContact O-OG1 2.86Å; Q114-L153 HydrophobicContact CG-CD1 4.08Å |
| 115 | D | 94.2 | Very high | 95.1 | Very high | 90 Ų | 90 | 56.4 Ų | 56.4 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.7 | -38 | 176.4 | -75.7 | -0.5 | 0 | 0 | 0 | 111.8 | A112 V113 Q119 | A112-D115 WeakPolarHBondContact O-CB 3.24Å; A112-D115 PolarHBondContact O-N 3.5Å; A112-D115 VanDerWaalsContact O-N 3.11Å; V113-D115 PolarHBondContact O-N 3.08Å; D115-Q119 WeakPolarHBondContact O-CG 3.31Å; D115-Q119 PolarHBondContact O-N 2.87Å; D115-Q119 PolarHBondContact O-NE2 3.39Å |
| 116 | W | 94.7 | Very high | 94.3 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 5% | 0.053 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66 | -45.9 | 172.8 | -72.5 | 111.3 | 0 | 0 | 0 | 111.7 | I28 N30 T88 Y92 L100 A112 V113 T118 Q119 I120 | I28-W116 HydrophobicContact CB-CE3 4.36Å; I28-W116 HydrophobicContact CD1-CB 4.4Å; I28-W116 HydrophobicContact CD1-CE3 4.21Å; N30-W116 PolarHBondContact OD1-NE1 2.85Å; T88-W116 HydrophobicContact CG2-CZ3 4.15Å; Y92-W116 WeakPolarHBondContact OH-CZ3 2.85Å; L100-W116 HydrophobicContact CD1-CB 3.39Å; L100-W116 HydrophobicContact CD1-CG 3.77Å; L100-W116 HydrophobicContact CD2-CB 3.96Å; L100-W116 HydrophobicContact CG-CB 4.35Å; A112-W116 PolarHBondContact O-N 3.31Å; A112-W116 VanDerWaalsContact O-N 3.08Å; V113-W116 PolarHBondContact O-N 3.11Å; W116-T118 VanDerWaalsContact C-N 3.3Å; W116-T118 PolarHBondContact O-N 3.24Å; W116-Q119 WeakPolarHBondContact O-CB 3.46Å; W116-Q119 PolarHBondContact O-N 3.26Å; W116-Q119 VanDerWaalsContact O-N 3.13Å; W116-I120 WeakPolarHBondContact O-CG1 3.33Å; W116-I120 PolarHBondContact O-N 3.41Å |
| 117 | S | 94.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.007 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.2 | -43.2 | 175.7 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | V113 Q114 Q119 I120 K121 F159 | V113-S117 WeakPolarHBondContact O-CB 3.24Å; V113-S117 PolarHBondContact O-N 3.35Å; Q114-S117 PolarHBondContact O-N 2.68Å; S117-Q119 VanDerWaalsContact C-N 3.32Å; S117-Q119 PolarHBondContact O-N 3.08Å; S117-I120 PolarHBondContact O-N 2.98Å; S117-K121 WeakPolarHBondContact O-CG 3.37Å; S117-K121 PolarHBondContact O-N 3.37Å; S117-F159 VanDerWaalsContact OG-CZ 3.23Å; S117-F159 WeakPolarHBondContact OG-CZ 3.38Å |
| 118 | T | 93.9 | Very high | 93.6 | Very high | 81 Ų | 81 | 62 Ų | 62 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | 177.2 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | Q114 W116 K121 T122 | Q114-T118 WeakPolarHBondContact O-CB 3.27Å; Q114-T118 PolarHBondContact O-N 2.83Å; Q114-T118 PolarHBondContact O-OG1 2.86Å; W116-T118 VanDerWaalsContact C-N 3.3Å; W116-T118 PolarHBondContact O-N 3.24Å; T118-K121 PolarHBondContact O-N 3.14Å; T118-T122 WeakPolarHBondContact O-CB 3.21Å; T118-T122 PolarHBondContact O-N 3.49Å; T118-T122 PolarHBondContact O-OG1 3.14Å |
| 119 | Q | 92.2 | Very high | 93.6 | Very high | 12 Ų | 12 | 57.1 Ų | 57.1 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 175.2 | -70.8 | 166.5 | 90.1 | 0 | 0 | 112.5 | R85 T89 Y92 D115 W116 S117 K121 T122 Y123 | R85-Q119 VanDerWaalsContact CG-OE1 3.29Å; R85-Q119 VanDerWaalsContact NE-NE2 3.19Å; R85-Q119 VanDerWaalsContact NH2-CD 3.3Å; T89-Q119 HydrophobicContact CG2-CG 4.47Å; Y92-Q119 HydrophobicContact CE2-CB 3.83Å; D115-Q119 WeakPolarHBondContact O-CG 3.31Å; D115-Q119 PolarHBondContact O-N 2.87Å; D115-Q119 PolarHBondContact O-NE2 3.39Å; W116-Q119 WeakPolarHBondContact O-CB 3.46Å; W116-Q119 PolarHBondContact O-N 3.26Å; W116-Q119 VanDerWaalsContact O-N 3.13Å; S117-Q119 VanDerWaalsContact C-N 3.32Å; S117-Q119 PolarHBondContact O-N 3.08Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.01Å; Q119-T122 PolarHBondContact O-N 3.42Å; Q119-Y123 HydrophobicContact CB-CD2 4.2Å; Q119-Y123 HydrophobicContact CB-CE2 4.49Å; Q119-Y123 HydrophobicContact CG-CE2 4.4Å; Q119-Y123 VanDerWaalsContact O-CD2 3.29Å; Q119-Y123 WeakPolarHBondContact O-CD2 3.28Å; Q119-Y123 PolarHBondContact O-N 2.62Å |
| 120 | I | 94 | Very high | 93.6 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.7 | -49.2 | 175.5 | -61.2 | 168.4 | 0 | 0 | 0 | 109.1 | I28 Y92 F98 L100 W116 S117 T122 S124 V130 | I28-I120 HydrophobicContact CD1-CD1 3.62Å; I28-I120 HydrophobicContact CD1-CG1 3.68Å; Y92-I120 HydrophobicContact CE2-CG1 4.11Å; F98-I120 HydrophobicContact CB-CD1 4.13Å; F98-I120 HydrophobicContact CD1-CD1 4.28Å; F98-I120 HydrophobicContact CD1-CG1 4.09Å; F98-I120 HydrophobicContact CD2-CG2 3.86Å; F98-I120 HydrophobicContact CE1-CG1 4.26Å; F98-I120 HydrophobicContact CE2-CG2 3.81Å; F98-I120 HydrophobicContact CG-CD1 4.13Å; F98-I120 HydrophobicContact CG-CG1 4.27Å; F98-I120 HydrophobicContact CG-CG2 4.31Å; F98-I120 HydrophobicContact CZ-CG2 4.21Å; L100-I120 HydrophobicContact CD2-CD1 4.4Å; W116-I120 WeakPolarHBondContact O-CG1 3.33Å; W116-I120 PolarHBondContact O-N 3.41Å; S117-I120 PolarHBondContact O-N 2.98Å; I120-T122 PolarHBondContact O-N 3.15Å; I120-S124 WeakPolarHBondContact CG2-OG 3.45Å; I120-S124 WeakPolarHBondContact O-CA 3.32Å; I120-S124 WeakPolarHBondContact O-CB 3.3Å; I120-S124 PolarHBondContact O-N 2.88Å; I120-S124 PolarHBondContact O-OG 3.32Å; I120-V130 HydrophobicContact CD1-CG1 3.94Å; I120-V130 HydrophobicContact CD1-CG2 4.07Å; I120-V130 HydrophobicContact CG2-CG2 4.02Å |
| 121 | K | 93 | Very high | 93.6 | Very high | 132 Ų | 132 | 57 Ų | 57 | 57% | 0.574 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.5 | -30.5 | 179.5 | -67.5 | 176.9 | -177 | -179.2 | 0 | 113.1 | S117 T118 Q119 | S117-K121 WeakPolarHBondContact O-CG 3.37Å; S117-K121 PolarHBondContact O-N 3.37Å; T118-K121 PolarHBondContact O-N 3.14Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.01Å |
| 122 | T | 93.2 | Very high | 93.6 | Very high | 87 Ų | 87 | 52.9 Ų | 52.9 | 53% | 0.534 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -83.1 | -39.7 | -177.1 | -55.6 | 0 | 0 | 0 | 0 | 113.1 | T118 Q119 I120 | T118-T122 WeakPolarHBondContact O-CB 3.21Å; T118-T122 PolarHBondContact O-N 3.49Å; T118-T122 PolarHBondContact O-OG1 3.14Å; Q119-T122 PolarHBondContact O-N 3.42Å; I120-T122 PolarHBondContact O-N 3.15Å |
| 123 | Y | 92 | Very high | 93.7 | Very high | 125 Ų | 125 | 52.2 Ų | 52.2 | 49% | 0.49 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -116 | -10.2 | -167.7 | -57.6 | -67.7 | 0 | 0 | 0 | 114.5 | T89 Q119 | T89-Y123 HydrophobicContact CG2-CD2 3.73Å; T89-Y123 HydrophobicContact CG2-CE2 3.94Å; T89-Y123 HydrophobicContact CG2-CG 4.49Å; Q119-Y123 HydrophobicContact CB-CD2 4.2Å; Q119-Y123 HydrophobicContact CB-CE2 4.49Å; Q119-Y123 HydrophobicContact CG-CE2 4.4Å; Q119-Y123 VanDerWaalsContact O-CD2 3.29Å; Q119-Y123 WeakPolarHBondContact O-CD2 3.28Å; Q119-Y123 PolarHBondContact O-N 2.62Å |
| 124 | S | 90.4 | Very high | 93.7 | Very high | 25 Ų | 25 | 52.2 Ų | 52.2 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -91.9 | -166.5 | 172.5 | 87.6 | 0 | 0 | 0 | 0 | 110.4 | I120 | I120-S124 WeakPolarHBondContact CG2-OG 3.45Å; I120-S124 WeakPolarHBondContact O-CA 3.32Å; I120-S124 WeakPolarHBondContact O-CB 3.3Å; I120-S124 PolarHBondContact O-N 2.88Å; I120-S124 PolarHBondContact O-OG 3.32Å |
| 125 | W | 84.8 | Confident | 93.8 | Very high | 99 Ų | 99 | 47.4 Ų | 47.4 | 38% | 0.375 | 24% | 0.24 | S | C | . | . | trans | -115.7 | 142.3 | -172.4 | 37.9 | -45.2 | 0 | 0 | 0 | 105.3 | G94 A95 M96 N127 A128 | G94-W125 VanDerWaalsContact CA-CE2 3.47Å; G94-W125 WeakPolarHBondContact O-CZ2 3.44Å; A95-W125 VanDerWaalsContact C-CE2 3.44Å; A95-W125 VanDerWaalsContact O-CE2 3.27Å; A95-W125 PolarHBondContact O-NE1 2.56Å; M96-W125 VanDerWaalsContact CA-CZ2 3.41Å; M96-W125 HydrophobicContact CB-CH2 4.26Å; M96-W125 HydrophobicContact CB-CZ2 3.95Å; M96-W125 HydrophobicContact CG-CH2 3.24Å; M96-W125 HydrophobicContact CG-CZ2 3.27Å; M96-W125 HydrophobicContact CG-CZ3 4.46Å; M96-W125 VanDerWaalsContact N-CZ2 3.26Å; M96-W125 HydrophobicContact SD-CH2 4.37Å; W125-N127 PolarHBondContact O-N 2.84Å; W125-A128 WeakPolarHBondContact O-CB 3.49Å; W125-A128 PolarHBondContact O-N 3.32Å | ||
| 126 | D | 83.2 | Confident | 94 | Very high | 163 Ų | 163 | 45.5 Ų | 45.5 | 87% | 0.872 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -22.8 | -163.9 | -61.1 | -24.3 | 0 | 0 | 0 | 114.4 | ||
| 127 | N | 87.2 | Confident | 94.2 | Very high | 85 Ų | 85 | 45.9 Ų | 45.9 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 6 | 179.7 | -70.5 | -29.1 | 0 | 0 | 0 | 114.6 | W125 Q129 | W125-N127 PolarHBondContact O-N 2.84Å; N127-Q129 PolarHBondContact O-N 3.43Å; N127-Q129 PolarHBondContact O-NE2 2.82Å |
| 128 | A | 94.4 | Very high | 94.4 | Very high | 15 Ų | 15 | 47.7 Ų | 47.7 | 12% | 0.124 | 24% | 0.241 | C | C | . | . | trans | -66.2 | 129.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A95 F98 W125 | A95-A128 WeakPolarHBondContact O-CB 3.34Å; F98-A128 HydrophobicContact CD2-CB 4.03Å; F98-A128 HydrophobicContact CE2-CB 3.73Å; W125-A128 WeakPolarHBondContact O-CB 3.49Å; W125-A128 PolarHBondContact O-N 3.32Å | ||
| 129 | Q | 96.9 | Very high | 94.6 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 19% | 0.192 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 141.8 | -179.9 | -56.5 | -54.2 | -52.4 | 0 | 0 | 110.3 | M96 G97 F98 N127 L179 V182 I183 | M96-Q129 PolarHBondContact O-N 2.86Å; G97-Q129 CarbonylContact C-O 3.47Å; G97-Q129 VanDerWaalsContact CA-O 3.24Å; G97-Q129 WeakPolarHBondContact CA-O 3.25Å; F98-Q129 PolarHBondContact N-O 2.94Å; N127-Q129 PolarHBondContact O-N 3.43Å; N127-Q129 PolarHBondContact O-NE2 2.82Å; Q129-L179 HydrophobicContact CB-CD1 3.9Å; Q129-V182 HydrophobicContact CB-CG1 4.01Å; Q129-V182 HydrophobicContact CG-CG1 3.73Å; Q129-I183 HydrophobicContact CB-CG1 4.14Å; Q129-I183 HydrophobicContact CG-CG1 4.01Å |
| 130 | V | 97.8 | Very high | 94.8 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 128.5 | -176.4 | -170.4 | 0 | 0 | 0 | 0 | 110.1 | F98 L100 I120 F159 | F98-V130 HydrophobicContact CB-CB 4.46Å; F98-V130 HydrophobicContact CB-CG1 4.1Å; F98-V130 HydrophobicContact CB-CG2 4.16Å; F98-V130 HydrophobicContact CD2-CG2 4.37Å; F98-V130 WeakPolarHBondContact O-CA 3.41Å; L100-V130 HydrophobicContact CB-CG1 4.19Å; I120-V130 HydrophobicContact CD1-CG1 3.94Å; I120-V130 HydrophobicContact CD1-CG2 4.07Å; I120-V130 HydrophobicContact CG2-CG2 4.02Å; V130-F159 HydrophobicContact CB-CD1 3.67Å; V130-F159 HydrophobicContact CB-CD2 4.28Å; V130-F159 HydrophobicContact CB-CE1 3.66Å; V130-F159 HydrophobicContact CB-CE2 4.25Å; V130-F159 HydrophobicContact CB-CG 4Å; V130-F159 HydrophobicContact CB-CZ 3.95Å; V130-F159 HydrophobicContact CG1-CD1 4.09Å; V130-F159 HydrophobicContact CG1-CD2 3.76Å; V130-F159 HydrophobicContact CG1-CE1 4.03Å; V130-F159 HydrophobicContact CG1-CE2 3.67Å; V130-F159 HydrophobicContact CG1-CG 3.97Å; V130-F159 HydrophobicContact CG1-CZ 3.81Å; V130-F159 HydrophobicContact CG2-CD1 4.34Å; V130-F159 HydrophobicContact CG2-CE1 3.86Å; V130-F159 HydrophobicContact CG2-CZ 4.08Å |
| 131 | L | 98.6 | Very high | 95 | Very high | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.5 | 165.7 | -59 | -172.3 | 0 | 0 | 0 | 109.5 | F98 L100 E160 F162 T175 R178 L179 | F98-L131 PolarHBondContact O-N 2.79Å; L100-L131 PolarHBondContact N-O 2.86Å; L131-E160 HydrophobicContact CD2-CB 3.43Å; L131-E160 VanDerWaalsContact CD2-CB 3.43Å; L131-E160 HydrophobicContact CD2-CG 4.42Å; L131-F162 HydrophobicContact CD1-CD2 4.29Å; L131-F162 HydrophobicContact CD1-CE2 4.04Å; L131-F162 HydrophobicContact CD2-CE2 4.42Å; L131-T175 HydrophobicContact CD1-CG2 3.9Å; L131-T175 WeakPolarHBondContact CD1-O 3.26Å; L131-R178 HydrophobicContact CD1-CB 4.35Å; L131-R178 HydrophobicContact CD1-CG 4.47Å; L131-L179 HydrophobicContact CD1-CB 3.73Å; L131-L179 HydrophobicContact CG-CB 4.21Å; L131-L179 HydrophobicContact CG-CD1 4.22Å |
| 132 | L | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128.9 | 168.4 | -176.4 | 63.2 | 0 | 0 | 0 | 109.6 | L100 Y102 V113 L153 A154 F159 E160 F161 F162 | L100-L132 HydrophobicContact CB-CD1 4.41Å; L100-L132 HydrophobicContact CD2-CD1 4.37Å; L100-L132 HydrophobicContact CG-CD1 4Å; L100-L132 CarbonylContact O-C 3.55Å; L100-L132 WeakPolarHBondContact O-CA 3.48Å; L100-L132 WeakPolarHBondContact O-CD1 3.39Å; Y102-L132 HydrophobicContact CD1-CD1 3.92Å; Y102-L132 HydrophobicContact CD1-CG 4.32Å; Y102-L132 HydrophobicContact CE1-CD1 4.22Å; Y102-L132 HydrophobicContact CE1-CD2 4.26Å; Y102-L132 HydrophobicContact CE1-CG 4.11Å; V113-L132 HydrophobicContact CG1-CD1 3.6Å; V113-L132 HydrophobicContact CG1-CD2 4.35Å; V113-L132 HydrophobicContact CG2-CD1 4.01Å; L132-L153 HydrophobicContact CD2-CG 4.48Å; L132-A154 HydrophobicContact CB-CB 4.21Å; L132-A154 HydrophobicContact CD2-CB 3.86Å; L132-F159 HydrophobicContact CB-CB 4.39Å; L132-E160 PolarHBondContact N-O 3.47Å; L132-F161 HydrophobicContact CB-CD2 4.25Å; L132-F161 HydrophobicContact CD2-CD2 4.17Å; L132-F161 HydrophobicContact CG-CD2 4.09Å; L132-F161 WeakPolarHBondContact O-CA 3.43Å; L132-F161 WeakPolarHBondContact O-CD2 3.46Å; L132-F162 PolarHBondContact O-N 3.48Å |
| 133 | V | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 116.6 | -179.5 | -177 | 0 | 0 | 0 | 0 | 110.7 | I99 L100 M101 Y102 N135 F162 A164 T175 | I99-V133 HydrophobicContact CG2-CB 4.37Å; I99-V133 HydrophobicContact CG2-CG2 3.7Å; L100-V133 PolarHBondContact O-N 2.85Å; M101-V133 WeakPolarHBondContact CA-O 3.25Å; M101-V133 HydrophobicContact CE-CB 4.37Å; M101-V133 HydrophobicContact CE-CG1 4.12Å; M101-V133 HydrophobicContact CG-CB 4.42Å; Y102-V133 WeakPolarHBondContact CD1-O 3.21Å; Y102-V133 PolarHBondContact N-O 2.94Å; V133-N135 PolarHBondContact O-N 3.49Å; V133-F162 CarbonylContact C-O 3.53Å; V133-F162 VanDerWaalsContact CA-O 3.28Å; V133-F162 WeakPolarHBondContact CA-O 3.24Å; V133-A164 HydrophobicContact CG1-CB 3.79Å; V133-T175 HydrophobicContact CG2-CG2 3.69Å |
| 134 | G | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 99.7 | 164 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y102 F162 E163 A164 | Y102-G134 VanDerWaalsContact CE1-CA 3.45Å; Y102-G134 VanDerWaalsContact CZ-CA 3.41Å; G134-F162 PolarHBondContact N-O 3.39Å; G134-E163 CarbonylContact O-C 3.57Å; G134-E163 VanDerWaalsContact O-CA 3.25Å; G134-E163 WeakPolarHBondContact O-CA 3.44Å; G134-A164 PolarHBondContact O-N 2.84Å |
| 135 | N | 98.8 | Very high | 96.2 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 164.6 | -177.1 | -170.9 | 40.8 | 0 | 0 | 0 | 112 | V33 M101 Y102 I104 V133 A164 A166 | V33-N135 PolarHBondContact O-ND2 3.29Å; M101-N135 HydrophobicContact CE-CB 4.43Å; M101-N135 HydrophobicContact CG-CB 3.69Å; M101-N135 HydrophobicContact SD-CB 3.64Å; Y102-N135 PolarHBondContact O-N 3.3Å; I104-N135 WeakPolarHBondContact CG1-O 3.45Å; I104-N135 PolarHBondContact N-O 2.83Å; V133-N135 PolarHBondContact O-N 3.49Å; N135-A164 CarbonylContact C-O 3.56Å; N135-A164 VanDerWaalsContact CA-O 3.28Å; N135-A164 WeakPolarHBondContact CA-O 3.36Å; N135-A164 PolarHBondContact OD1-O 3.47Å; N135-A166 PolarHBondContact OD1-N 3.07Å |
| 136 | K | 98.3 | Very high | 96.9 | Very high | 50 Ų | 50 | 50.3 Ų | 50.3 | 22% | 0.217 | 26% | 0.263 | C | S | . | . | trans | 70.4 | 34.4 | -177.4 | -45.6 | -169 | -164.7 | 167.1 | 0 | 114 | S32 D103 I104 D138 M139 A164 | S32-K136 WeakPolarHBondContact O-CE 3.46Å; S32-K136 PolarHBondContact O-NZ 3.47Å; D103-K136 WeakPolarHBondContact OD1-CD 3.41Å; D103-K136 WeakPolarHBondContact OD2-CD 3.49Å; D103-K136 WeakPolarHBondContact OD2-CE 3.35Å; D103-K136 IonicContact OD2-NZ 3.13Å; D103-K136 PolarHBondContact OD2-NZ 2.8Å; I104-K136 WeakPolarHBondContact CD1-O 3.27Å; I104-K136 HydrophobicContact CG1-CB 4.48Å; I104-K136 WeakPolarHBondContact CG1-O 3.23Å; K136-D138 PolarHBondContact O-N 3.13Å; K136-M139 HydrophobicContact CB-CG 4.29Å; K136-M139 HydrophobicContact CB-SD 4.05Å; K136-M139 HydrophobicContact CD-SD 3.87Å; K136-M139 WeakPolarHBondContact O-CB 3.34Å; K136-M139 PolarHBondContact O-N 3.02Å; K136-A164 PolarHBondContact N-O 3.31Å | ||
| 137 | C | 98.4 | Very high | 97.6 | Very high | 21 Ų | 21 | 44.6 Ų | 44.6 | 14% | 0.142 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -6.8 | 175.8 | 68.9 | 0 | 0 | 0 | 0 | 114.8 | I104 M139 E163 A164 | I104-C137 HydrophobicContact CD1-CB 4.46Å; C137-M139 PolarHBondContact O-N 2.87Å; C137-E163 HydrophobicContact CB-CB 4.15Å; C137-A164 PolarHBondContact N-O 3.44Å; C137-A164 VanDerWaalsContact N-O 3.07Å; C137-A164 PolarHBondContact SG-O 3.42Å |
| 138 | D | 98.3 | Very high | 98.1 | Very high | 40 Ų | 40 | 46.9 Ų | 46.9 | 21% | 0.214 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -14.4 | 167 | 61.5 | -77.3 | 0 | 0 | 0 | 113.6 | K136 E140 S165 K167 D168 | K136-D138 PolarHBondContact O-N 3.13Å; D138-E140 PolarHBondContact O-N 2.83Å; D138-S165 VanDerWaalsContact CG-OG 3.3Å; D138-S165 VanDerWaalsContact OD1-CB 3.3Å; D138-S165 WeakPolarHBondContact OD1-CB 3.21Å; D138-S165 PolarHBondContact OD1-OG 3.35Å; D138-K167 WeakPolarHBondContact OD2-CD 3.45Å; D138-K167 IonicContact OD2-NZ 3.27Å; D138-K167 PolarHBondContact OD2-NZ 2.98Å; D138-D168 HydrophobicContact CB-CB 4.38Å; D138-D168 VanDerWaalsContact CB-OD2 3.27Å; D138-D168 WeakPolarHBondContact CB-OD2 3.46Å |
| 139 | M | 97.6 | Very high | 98.3 | Very high | 49 Ų | 49 | 50 Ų | 50 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | trans | -98.6 | 47.9 | -178.2 | -58.9 | -177 | 67.2 | 0 | 0 | 112.1 | T105 K136 C137 D141 E142 R143 | T105-M139 HydrophobicContact CG2-CB 3.65Å; T105-M139 HydrophobicContact CG2-CE 4.21Å; T105-M139 HydrophobicContact CG2-SD 4.2Å; K136-M139 HydrophobicContact CB-CG 4.29Å; K136-M139 HydrophobicContact CB-SD 4.05Å; K136-M139 HydrophobicContact CD-SD 3.87Å; K136-M139 WeakPolarHBondContact O-CB 3.34Å; K136-M139 PolarHBondContact O-N 3.02Å; C137-M139 PolarHBondContact O-N 2.87Å; M139-D141 VanDerWaalsContact C-N 3.28Å; M139-D141 PolarHBondContact O-N 2.88Å; M139-E142 HydrophobicContact CB-CB 4.44Å; M139-E142 HydrophobicContact CE-CB 4.39Å; M139-E142 HydrophobicContact CE-CG 4.38Å; M139-E142 WeakPolarHBondContact CE-OE1 3.45Å; M139-E142 WeakPolarHBondContact CE-OE2 2.73Å; M139-E142 PolarHBondContact O-N 3.02Å; M139-R143 PolarHBondContact O-N 3.47Å | ||
| 140 | E | 97.7 | Very high | 98.4 | Very high | 109 Ų | 109 | 48.1 Ų | 48.1 | 51% | 0.509 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -59.1 | -36.8 | -173.9 | -168.2 | 60.3 | -149.3 | 0 | 0 | 113.1 | D138 E142 R143 | D138-E140 PolarHBondContact O-N 2.83Å; E140-E142 PolarHBondContact O-N 2.83Å; E140-R143 VanDerWaalsContact O-CB 3.25Å; E140-R143 WeakPolarHBondContact O-CB 3.32Å; E140-R143 PolarHBondContact O-N 2.95Å; E140-R143 WeakPolarHBondContact OE1-CD 3.24Å; E140-R143 IonicContact OE1-CZ 3.59Å; E140-R143 IonicContact OE1-NE 3.67Å; E140-R143 PolarHBondContact OE1-NE 2.82Å; E140-R143 IonicContact OE2-CZ 2.83Å; E140-R143 VanDerWaalsContact OE2-CZ 3.28Å; E140-R143 IonicContact OE2-NE 2.85Å; E140-R143 PolarHBondContact OE2-NE 2.95Å; E140-R143 IonicContact OE2-NH2 3.78Å; E140-R143 PolarHBondContact OE2-NH2 2.85Å |
| 141 | D | 98.2 | Very high | 98.5 | Very high | 174 Ų | 174 | 54.5 Ų | 54.5 | 93% | 0.93 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -66.4 | -20.5 | 178.3 | -64 | -36 | 0 | 0 | 0 | 113.3 | M139 | M139-D141 VanDerWaalsContact C-N 3.28Å; M139-D141 PolarHBondContact O-N 2.88Å |
| 142 | E | 98.2 | Very high | 98.5 | Very high | 123 Ų | 123 | 59.3 Ų | 59.3 | 58% | 0.575 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -105.9 | 5.3 | 179.4 | -64.4 | 179 | -125.4 | 0 | 0 | 112.3 | T105 M139 E140 V144 | T105-E142 WeakPolarHBondContact CB-O 3.45Å; T105-E142 HydrophobicContact CG2-CB 3.79Å; M139-E142 HydrophobicContact CB-CB 4.44Å; M139-E142 HydrophobicContact CE-CB 4.39Å; M139-E142 HydrophobicContact CE-CG 4.38Å; M139-E142 WeakPolarHBondContact CE-OE1 3.45Å; M139-E142 WeakPolarHBondContact CE-OE2 2.73Å; M139-E142 PolarHBondContact O-N 3.02Å; E140-E142 PolarHBondContact O-N 2.83Å; E142-V144 PolarHBondContact O-N 3.01Å |
| 143 | R | 98.7 | Very high | 98.4 | Very high | 46 Ų | 46 | 60.1 Ų | 60.1 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | trans | -61.5 | 128.7 | -176.9 | 179.6 | -177.6 | -72.3 | -88.4 | 9.4 | 111.3 | I104 M139 E140 V145 E163 | I104-R143 HydrophobicContact CD1-CB 4.18Å; I104-R143 HydrophobicContact CD1-CG 4.18Å; I104-R143 VanDerWaalsContact CD1-CZ 3.42Å; M139-R143 PolarHBondContact O-N 3.47Å; E140-R143 VanDerWaalsContact O-CB 3.25Å; E140-R143 WeakPolarHBondContact O-CB 3.32Å; E140-R143 PolarHBondContact O-N 2.95Å; E140-R143 WeakPolarHBondContact OE1-CD 3.24Å; E140-R143 IonicContact OE1-CZ 3.59Å; E140-R143 IonicContact OE1-NE 3.67Å; E140-R143 PolarHBondContact OE1-NE 2.82Å; E140-R143 IonicContact OE2-CZ 2.83Å; E140-R143 VanDerWaalsContact OE2-CZ 3.28Å; E140-R143 IonicContact OE2-NE 2.85Å; E140-R143 PolarHBondContact OE2-NE 2.95Å; E140-R143 IonicContact OE2-NH2 3.78Å; E140-R143 PolarHBondContact OE2-NH2 2.85Å; R143-V145 WeakPolarHBondContact CD-O 3.34Å; R143-V145 WeakPolarHBondContact CG-O 3.34Å; R143-V145 PolarHBondContact NH1-O 3.28Å; R143-E163 IonicContact CZ-OE1 2.99Å; R143-E163 IonicContact CZ-OE2 3.96Å; R143-E163 IonicContact NH1-OE1 3.42Å; R143-E163 PolarHBondContact NH1-OE1 2.83Å; R143-E163 IonicContact NH1-OE2 2.84Å; R143-E163 IonicContact NH2-OE1 3.18Å; R143-E163 PolarHBondContact NH2-OE1 3.27Å; R143-E163 IonicContact NH2-OE2 2.83Å; R143-E163 PolarHBondContact NH2-OE2 3.21Å | ||
| 144 | V | 98.6 | Very high | 98.4 | Very high | 74 Ų | 74 | 60.1 Ų | 60.1 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | trans | -115.5 | -21.6 | 171.4 | -53.7 | 0 | 0 | 0 | 0 | 112.5 | I104 T105 E107 E142 | I104-V144 PolarHBondContact O-N 3.41Å; T105-V144 VanDerWaalsContact C-CG2 3.42Å; T105-V144 WeakPolarHBondContact O-CG2 3.37Å; E107-V144 HydrophobicContact CB-CG2 4.03Å; E142-V144 PolarHBondContact O-N 3.01Å | ||
| 145 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -108.6 | 117.2 | 175.1 | -172.1 | 0 | 0 | 0 | 0 | 109.5 | Y102 I104 F110 R143 R149 | Y102-V145 HydrophobicContact CE2-CB 4.06Å; Y102-V145 HydrophobicContact CE2-CG1 3.79Å; Y102-V145 HydrophobicContact CE2-CG2 4.41Å; I104-V145 PolarHBondContact O-N 3.33Å; F110-V145 HydrophobicContact CB-CG1 4.38Å; F110-V145 HydrophobicContact CB-CG2 3.75Å; F110-V145 HydrophobicContact CD1-CG1 4.22Å; F110-V145 HydrophobicContact CD1-CG2 4.47Å; F110-V145 HydrophobicContact CD2-CG1 3.67Å; F110-V145 HydrophobicContact CE1-CG1 4.46Å; F110-V145 HydrophobicContact CE2-CG1 3.93Å; F110-V145 HydrophobicContact CG-CG1 3.82Å; F110-V145 HydrophobicContact CG-CG2 4.03Å; F110-V145 HydrophobicContact CZ-CG1 4.31Å; R143-V145 WeakPolarHBondContact CD-O 3.34Å; R143-V145 WeakPolarHBondContact CG-O 3.34Å; R143-V145 PolarHBondContact NH1-O 3.28Å; V145-R149 HydrophobicContact CG1-CB 4.21Å |
| 146 | S | 98.5 | Very high | 98.4 | Very high | 45 Ų | 45 | 72.4 Ų | 72.4 | 32% | 0.315 | 35% | 0.354 | S | S | . | . | trans | -71.9 | 150.6 | 175.2 | 69.2 | 0 | 0 | 0 | 0 | 111.8 | E148 R149 G150 | S146-E148 PolarHBondContact O-N 3.07Å; S146-R149 PolarHBondContact O-N 3.3Å; S146-R149 WeakPolarHBondContact OG-CG 3.39Å; S146-R149 PolarHBondContact OG-N 2.97Å; S146-G150 PolarHBondContact O-N 3.32Å; S146-G150 VanDerWaalsContact O-N 3.09Å | ||
| 147 | S | 98.3 | Very high | 98.3 | Very high | 44 Ų | 44 | 71 Ų | 71 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.8 | -31 | 174.9 | -41.9 | 0 | 0 | 0 | 0 | 112.5 | G150 R151 F161 E163 | S147-G150 PolarHBondContact O-N 3.01Å; S147-R151 WeakPolarHBondContact O-CB 3.42Å; S147-R151 PolarHBondContact O-N 3.44Å; S147-F161 WeakPolarHBondContact O-CE1 3.26Å; S147-E163 WeakPolarHBondContact CA-OE1 3.29Å; S147-E163 WeakPolarHBondContact CB-OE1 3.48Å; S147-E163 PolarHBondContact OG-OE1 3.36Å; S147-E163 PolarHBondContact OG-OE2 3.22Å; S147-E163 VanDerWaalsContact OG-OE2 3.1Å |
| 148 | E | 98.6 | Very high | 98.2 | Very high | 132 Ų | 132 | 73.3 Ų | 73.3 | 62% | 0.617 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.9 | -46.6 | 175.1 | -175.4 | -180 | -179.6 | 0 | 0 | 111.7 | S146 G150 R151 Q152 | S146-E148 PolarHBondContact O-N 3.07Å; E148-G150 VanDerWaalsContact C-N 3.3Å; E148-G150 PolarHBondContact O-N 2.88Å; E148-R151 PolarHBondContact O-N 3.25Å; E148-Q152 HydrophobicContact CG-CG 4.36Å; E148-Q152 WeakPolarHBondContact O-CB 3.36Å; E148-Q152 VanDerWaalsContact O-CG 3.26Å; E148-Q152 WeakPolarHBondContact O-CG 3.49Å; E148-Q152 PolarHBondContact O-N 3.47Å; E148-Q152 PolarHBondContact OE1-NE2 3.49Å; E148-Q152 VanDerWaalsContact OE1-NE2 3.07Å |
| 149 | R | 98.5 | Very high | 98.2 | Very high | 82 Ų | 82 | 72.4 Ų | 72.4 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 175.7 | -71 | 176.4 | 68.8 | -152.8 | -2.2 | 111.3 | E107 F110 V145 S146 Q152 L153 | E107-R149 IonicContact OE1-CZ 2.8Å; E107-R149 IonicContact OE1-NH1 3.71Å; E107-R149 PolarHBondContact OE1-NH1 3.09Å; E107-R149 IonicContact OE1-NH2 3.75Å; E107-R149 PolarHBondContact OE1-NH2 2.85Å; E107-R149 IonicContact OE2-CZ 3.31Å; E107-R149 IonicContact OE2-NH1 3.94Å; E107-R149 PolarHBondContact OE2-NH1 3.46Å; E107-R149 IonicContact OE2-NH2 3.44Å; F110-R149 HydrophobicContact CZ-CB 4.09Å; V145-R149 HydrophobicContact CG1-CB 4.21Å; S146-R149 PolarHBondContact O-N 3.3Å; S146-R149 WeakPolarHBondContact OG-CG 3.39Å; S146-R149 PolarHBondContact OG-N 2.97Å; R149-Q152 PolarHBondContact O-N 3.04Å; R149-L153 WeakPolarHBondContact O-CB 3.49Å; R149-L153 PolarHBondContact O-N 2.77Å |
| 150 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -54.6 | -51.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y102 S146 S147 E148 L153 A154 | Y102-G150 WeakPolarHBondContact OH-CA 3.36Å; S146-G150 PolarHBondContact O-N 3.32Å; S146-G150 VanDerWaalsContact O-N 3.09Å; S147-G150 PolarHBondContact O-N 3.01Å; E148-G150 VanDerWaalsContact C-N 3.3Å; E148-G150 PolarHBondContact O-N 2.88Å; G150-L153 PolarHBondContact O-N 3.12Å; G150-A154 PolarHBondContact O-N 3.48Å |
| 151 | R | 98.6 | Very high | 98.2 | Very high | 149 Ų | 149 | 69.8 Ų | 69.8 | 56% | 0.562 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.1 | -46.8 | 179 | -172.8 | 172.9 | -64.4 | 163.4 | 3 | 112.5 | S147 E148 L153 A154 D155 F161 | S147-R151 WeakPolarHBondContact O-CB 3.42Å; S147-R151 PolarHBondContact O-N 3.44Å; E148-R151 PolarHBondContact O-N 3.25Å; R151-L153 VanDerWaalsContact C-N 3.28Å; R151-L153 PolarHBondContact O-N 3.49Å; R151-A154 WeakPolarHBondContact O-CB 3.28Å; R151-A154 PolarHBondContact O-N 2.92Å; R151-A154 VanDerWaalsContact O-N 3.09Å; R151-D155 VanDerWaalsContact O-CG 3.23Å; R151-D155 PolarHBondContact O-N 2.89Å; R151-F161 HydrophobicContact CB-CD1 3.8Å; R151-F161 HydrophobicContact CB-CE1 4.25Å; R151-F161 HydrophobicContact CB-CG 4.49Å; R151-F161 HydrophobicContact CG-CD1 4.45Å |
| 152 | Q | 98.6 | Very high | 98.2 | Very high | 105 Ų | 105 | 63.5 Ų | 63.5 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.3 | -41.8 | 177.7 | -74.4 | 173.5 | -0.8 | 0 | 0 | 111.9 | E148 R149 H156 | E148-Q152 HydrophobicContact CG-CG 4.36Å; E148-Q152 WeakPolarHBondContact O-CB 3.36Å; E148-Q152 VanDerWaalsContact O-CG 3.26Å; E148-Q152 WeakPolarHBondContact O-CG 3.49Å; E148-Q152 PolarHBondContact O-N 3.47Å; E148-Q152 PolarHBondContact OE1-NE2 3.49Å; E148-Q152 VanDerWaalsContact OE1-NE2 3.07Å; R149-Q152 PolarHBondContact O-N 3.04Å; Q152-H156 WeakPolarHBondContact O-CB 3.48Å; Q152-H156 PolarHBondContact O-N 3.22Å |
| 153 | L | 98.5 | Very high | 98.2 | Very high | 17 Ų | 17 | 59.1 Ų | 59.1 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 175.8 | -179.1 | 60.7 | 0 | 0 | 0 | 111.8 | F110 V113 Q114 L132 R149 G150 R151 H156 L157 | F110-L153 HydrophobicContact CD2-CD2 4.09Å; F110-L153 HydrophobicContact CE1-CD2 4.31Å; F110-L153 HydrophobicContact CE2-CB 4.04Å; F110-L153 HydrophobicContact CE2-CD2 3.45Å; F110-L153 VanDerWaalsContact CE2-CD2 3.45Å; F110-L153 HydrophobicContact CE2-CG 4.39Å; F110-L153 HydrophobicContact CZ-CB 3.9Å; F110-L153 HydrophobicContact CZ-CD2 3.6Å; F110-L153 HydrophobicContact CZ-CG 4.37Å; V113-L153 HydrophobicContact CB-CD2 3.84Å; V113-L153 HydrophobicContact CG1-CD2 3.67Å; V113-L153 HydrophobicContact CG1-CG 4.37Å; V113-L153 HydrophobicContact CG2-CD2 4.48Å; Q114-L153 HydrophobicContact CG-CD1 4.08Å; L132-L153 HydrophobicContact CD2-CG 4.48Å; R149-L153 WeakPolarHBondContact O-CB 3.49Å; R149-L153 PolarHBondContact O-N 2.77Å; G150-L153 PolarHBondContact O-N 3.12Å; R151-L153 VanDerWaalsContact C-N 3.28Å; R151-L153 PolarHBondContact O-N 3.49Å; L153-H156 PolarHBondContact O-N 3.36Å; L153-L157 HydrophobicContact CD1-CD1 3.9Å; L153-L157 HydrophobicContact CD1-CG 4.09Å; L153-L157 HydrophobicContact CG-CD1 3.92Å; L153-L157 HydrophobicContact CG-CG 4.46Å; L153-L157 WeakPolarHBondContact O-CB 3.41Å; L153-L157 VanDerWaalsContact O-CG 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 2.8Å |
| 154 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L132 G150 R151 H156 L157 G158 F159 F161 | L132-A154 HydrophobicContact CB-CB 4.21Å; L132-A154 HydrophobicContact CD2-CB 3.86Å; G150-A154 PolarHBondContact O-N 3.48Å; R151-A154 WeakPolarHBondContact O-CB 3.28Å; R151-A154 PolarHBondContact O-N 2.92Å; R151-A154 VanDerWaalsContact O-N 3.09Å; A154-H156 VanDerWaalsContact C-N 3.32Å; A154-H156 PolarHBondContact O-N 3.25Å; A154-L157 CarbonylContact O-C 3.57Å; A154-L157 PolarHBondContact O-N 2.97Å; A154-L157 VanDerWaalsContact O-N 3.08Å; A154-G158 PolarHBondContact O-N 2.98Å; A154-F159 CarbonylContact C-O 3.42Å; A154-F159 HydrophobicContact CB-CB 4.43Å; A154-F159 WeakPolarHBondContact CB-O 3.38Å; A154-F159 PolarHBondContact O-N 3.49Å; A154-F161 HydrophobicContact CB-CB 3.63Å; A154-F161 HydrophobicContact CB-CD2 4.47Å; A154-F161 HydrophobicContact CB-CG 4.3Å |
| 155 | D | 98.3 | Very high | 98.2 | Very high | 112 Ų | 112 | 53.4 Ų | 53.4 | 60% | 0.599 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59 | -43.9 | 177.2 | -65.7 | -20.7 | 0 | 0 | 0 | 110.9 | R151 L157 G158 | R151-D155 VanDerWaalsContact O-CG 3.23Å; R151-D155 PolarHBondContact O-N 2.89Å; D155-L157 VanDerWaalsContact C-N 3.31Å; D155-L157 PolarHBondContact O-N 3.25Å; D155-G158 PolarHBondContact O-N 3.47Å |
| 156 | H | 97.9 | Very high | 98.2 | Very high | 148 Ų | 148 | 53.6 Ų | 53.6 | 69% | 0.685 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62 | -37.1 | 175.9 | 178.6 | 69.8 | 0 | 0 | 0 | 112.9 | Q152 L153 A154 | Q152-H156 WeakPolarHBondContact O-CB 3.48Å; Q152-H156 PolarHBondContact O-N 3.22Å; L153-H156 PolarHBondContact O-N 3.36Å; A154-H156 VanDerWaalsContact C-N 3.32Å; A154-H156 PolarHBondContact O-N 3.25Å |
| 157 | L | 96.7 | Very high | 98.2 | Very high | 22 Ų | 22 | 56.3 Ų | 56.3 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -84.5 | -11.6 | 179.7 | -66 | 176 | 0 | 0 | 0 | 113.4 | V113 L153 A154 D155 F159 | V113-L157 HydrophobicContact CG1-CD1 3.88Å; L153-L157 HydrophobicContact CD1-CD1 3.9Å; L153-L157 HydrophobicContact CD1-CG 4.09Å; L153-L157 HydrophobicContact CG-CD1 3.92Å; L153-L157 HydrophobicContact CG-CG 4.46Å; L153-L157 WeakPolarHBondContact O-CB 3.41Å; L153-L157 VanDerWaalsContact O-CG 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 2.8Å; A154-L157 CarbonylContact O-C 3.57Å; A154-L157 PolarHBondContact O-N 2.97Å; A154-L157 VanDerWaalsContact O-N 3.08Å; D155-L157 VanDerWaalsContact C-N 3.31Å; D155-L157 PolarHBondContact O-N 3.25Å; L157-F159 HydrophobicContact CB-CD1 4.38Å; L157-F159 HydrophobicContact CB-CD2 3.76Å; L157-F159 HydrophobicContact CB-CE1 4.43Å; L157-F159 HydrophobicContact CB-CE2 3.85Å; L157-F159 HydrophobicContact CB-CG 4.05Å; L157-F159 HydrophobicContact CB-CZ 4.19Å; L157-F159 HydrophobicContact CD1-CD2 4.09Å; L157-F159 HydrophobicContact CD1-CE2 3.92Å; L157-F159 HydrophobicContact CG-CE2 4.48Å |
| 158 | G | 96.3 | Very high | 98.2 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 29.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A154 D155 | A154-G158 PolarHBondContact O-N 2.98Å; D155-G158 PolarHBondContact O-N 3.47Å |
| 159 | F | 97.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 55.7 Ų | 55.7 | 10% | 0.096 | 28% | 0.276 | C | S | . | . | trans | -108.4 | 148.4 | -179.2 | -57.4 | -18.6 | 0 | 0 | 0 | 110.8 | L100 S117 V130 L132 A154 L157 | L100-F159 HydrophobicContact CD2-CE2 4.2Å; S117-F159 VanDerWaalsContact OG-CZ 3.23Å; S117-F159 WeakPolarHBondContact OG-CZ 3.38Å; V130-F159 HydrophobicContact CB-CD1 3.67Å; V130-F159 HydrophobicContact CB-CD2 4.28Å; V130-F159 HydrophobicContact CB-CE1 3.66Å; V130-F159 HydrophobicContact CB-CE2 4.25Å; V130-F159 HydrophobicContact CB-CG 4Å; V130-F159 HydrophobicContact CB-CZ 3.95Å; V130-F159 HydrophobicContact CG1-CD1 4.09Å; V130-F159 HydrophobicContact CG1-CD2 3.76Å; V130-F159 HydrophobicContact CG1-CE1 4.03Å; V130-F159 HydrophobicContact CG1-CE2 3.67Å; V130-F159 HydrophobicContact CG1-CG 3.97Å; V130-F159 HydrophobicContact CG1-CZ 3.81Å; V130-F159 HydrophobicContact CG2-CD1 4.34Å; V130-F159 HydrophobicContact CG2-CE1 3.86Å; V130-F159 HydrophobicContact CG2-CZ 4.08Å; L132-F159 HydrophobicContact CB-CB 4.39Å; A154-F159 CarbonylContact C-O 3.42Å; A154-F159 HydrophobicContact CB-CB 4.43Å; A154-F159 WeakPolarHBondContact CB-O 3.38Å; A154-F159 PolarHBondContact O-N 3.49Å; L157-F159 HydrophobicContact CB-CD1 4.38Å; L157-F159 HydrophobicContact CB-CD2 3.76Å; L157-F159 HydrophobicContact CB-CE1 4.43Å; L157-F159 HydrophobicContact CB-CE2 3.85Å; L157-F159 HydrophobicContact CB-CG 4.05Å; L157-F159 HydrophobicContact CB-CZ 4.19Å; L157-F159 HydrophobicContact CD1-CD2 4.09Å; L157-F159 HydrophobicContact CD1-CE2 3.92Å; L157-F159 HydrophobicContact CG-CE2 4.48Å | ||
| 160 | E | 97.5 | Very high | 98.1 | Very high | 69 Ų | 69 | 55 Ų | 55 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 148.8 | 165.5 | -83.4 | -177.1 | -138.4 | 0 | 0 | 110.5 | L131 L132 R178 | L131-E160 HydrophobicContact CD2-CB 3.43Å; L131-E160 VanDerWaalsContact CD2-CB 3.43Å; L131-E160 HydrophobicContact CD2-CG 4.42Å; L132-E160 PolarHBondContact N-O 3.47Å; E160-R178 IonicContact OE1-CZ 3.29Å; E160-R178 VanDerWaalsContact OE1-CZ 3.28Å; E160-R178 IonicContact OE1-NE 3.79Å; E160-R178 PolarHBondContact OE1-NE 3.15Å; E160-R178 VanDerWaalsContact OE1-NE 3.14Å; E160-R178 IonicContact OE1-NH2 2.86Å; E160-R178 PolarHBondContact OE1-NH2 2.77Å; E160-R178 VanDerWaalsContact OE2-CG 3.28Å; E160-R178 WeakPolarHBondContact OE2-CG 3.48Å; E160-R178 IonicContact OE2-CZ 2.62Å; E160-R178 IonicContact OE2-NE 2.88Å; E160-R178 PolarHBondContact OE2-NE 2.68Å; E160-R178 IonicContact OE2-NH2 2.79Å |
| 161 | F | 98.6 | Very high | 98.1 | Very high | 33 Ų | 33 | 57.5 Ų | 57.5 | 15% | 0.145 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 133.9 | -172.6 | 178.5 | -117.9 | 0 | 0 | 0 | 113.1 | Y102 L132 S147 R151 A154 E163 | Y102-F161 HydrophobicContact CE1-CE2 4.01Å; Y102-F161 WeakPolarHBondContact OH-CE2 3.45Å; L132-F161 HydrophobicContact CB-CD2 4.25Å; L132-F161 HydrophobicContact CD2-CD2 4.17Å; L132-F161 HydrophobicContact CG-CD2 4.09Å; L132-F161 WeakPolarHBondContact O-CA 3.43Å; L132-F161 WeakPolarHBondContact O-CD2 3.46Å; S147-F161 WeakPolarHBondContact O-CE1 3.26Å; R151-F161 HydrophobicContact CB-CD1 3.8Å; R151-F161 HydrophobicContact CB-CE1 4.25Å; R151-F161 HydrophobicContact CB-CG 4.49Å; R151-F161 HydrophobicContact CG-CD1 4.45Å; A154-F161 HydrophobicContact CB-CB 3.63Å; A154-F161 HydrophobicContact CB-CD2 4.47Å; A154-F161 HydrophobicContact CB-CG 4.3Å; F161-E163 HydrophobicContact CE1-CG 3.96Å; F161-E163 HydrophobicContact CE2-CG 4.46Å; F161-E163 HydrophobicContact CZ-CG 3.54Å |
| 162 | F | 98.7 | Very high | 98.1 | Very high | 43 Ų | 43 | 50.4 Ų | 50.4 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 145.4 | 168.8 | -69.2 | -95.3 | 0 | 0 | 0 | 110.5 | L131 L132 V133 G134 N171 R178 | L131-F162 HydrophobicContact CD1-CD2 4.29Å; L131-F162 HydrophobicContact CD1-CE2 4.04Å; L131-F162 HydrophobicContact CD2-CE2 4.42Å; L132-F162 PolarHBondContact O-N 3.48Å; V133-F162 CarbonylContact C-O 3.53Å; V133-F162 VanDerWaalsContact CA-O 3.28Å; V133-F162 WeakPolarHBondContact CA-O 3.24Å; G134-F162 PolarHBondContact N-O 3.39Å; F162-N171 HydrophobicContact CD1-CB 4.42Å; F162-R178 HydrophobicContact CE2-CB 4.26Å; F162-R178 HydrophobicContact CE2-CG 4.09Å; F162-R178 HydrophobicContact CZ-CB 3.96Å; F162-R178 HydrophobicContact CZ-CG 3.95Å |
| 163 | E | 98.7 | Very high | 98.1 | Very high | 31 Ų | 31 | 51 Ų | 51 | 15% | 0.145 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 143.1 | 153.1 | -71.7 | -163.2 | 166.9 | 0 | 0 | 109.7 | G134 C137 R143 S147 F161 N171 | G134-E163 CarbonylContact O-C 3.57Å; G134-E163 VanDerWaalsContact O-CA 3.25Å; G134-E163 WeakPolarHBondContact O-CA 3.44Å; C137-E163 HydrophobicContact CB-CB 4.15Å; R143-E163 IonicContact CZ-OE1 2.99Å; R143-E163 IonicContact CZ-OE2 3.96Å; R143-E163 IonicContact NH1-OE1 3.42Å; R143-E163 PolarHBondContact NH1-OE1 2.83Å; R143-E163 IonicContact NH1-OE2 2.84Å; R143-E163 IonicContact NH2-OE1 3.18Å; R143-E163 PolarHBondContact NH2-OE1 3.27Å; R143-E163 IonicContact NH2-OE2 2.83Å; R143-E163 PolarHBondContact NH2-OE2 3.21Å; S147-E163 WeakPolarHBondContact CA-OE1 3.29Å; S147-E163 WeakPolarHBondContact CB-OE1 3.48Å; S147-E163 PolarHBondContact OG-OE1 3.36Å; S147-E163 PolarHBondContact OG-OE2 3.22Å; S147-E163 VanDerWaalsContact OG-OE2 3.1Å; F161-E163 HydrophobicContact CE1-CG 3.96Å; F161-E163 HydrophobicContact CE2-CG 4.46Å; F161-E163 HydrophobicContact CZ-CG 3.54Å; E163-N171 WeakPolarHBondContact O-CB 3.18Å; E163-N171 PolarHBondContact O-ND2 2.71Å |
| 164 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 161.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F38 V133 G134 N135 K136 C137 I170 N171 | F38-A164 HydrophobicContact CE2-CB 3.62Å; F38-A164 HydrophobicContact CZ-CB 4.23Å; V133-A164 HydrophobicContact CG1-CB 3.79Å; G134-A164 PolarHBondContact O-N 2.84Å; N135-A164 CarbonylContact C-O 3.56Å; N135-A164 VanDerWaalsContact CA-O 3.28Å; N135-A164 WeakPolarHBondContact CA-O 3.36Å; N135-A164 PolarHBondContact OD1-O 3.47Å; K136-A164 PolarHBondContact N-O 3.31Å; C137-A164 PolarHBondContact N-O 3.44Å; C137-A164 VanDerWaalsContact N-O 3.07Å; C137-A164 PolarHBondContact SG-O 3.42Å; A164-I170 VanDerWaalsContact CA-O 3.26Å; A164-I170 WeakPolarHBondContact CA-O 3.42Å; A164-I170 VanDerWaalsContact CB-O 3.26Å; A164-I170 WeakPolarHBondContact CB-O 3.24Å; A164-N171 HydrophobicContact CB-CB 4.07Å |
| 165 | S | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -134.7 | 115.4 | 170.3 | 174.1 | 0 | 0 | 0 | 0 | 109.4 | D138 K167 D168 N169 I170 V172 | D138-S165 VanDerWaalsContact CG-OG 3.3Å; D138-S165 VanDerWaalsContact OD1-CB 3.3Å; D138-S165 WeakPolarHBondContact OD1-CB 3.21Å; D138-S165 PolarHBondContact OD1-OG 3.35Å; S165-K167 PolarHBondContact O-N 2.82Å; S165-K167 PolarHBondContact OG-N 2.92Å; S165-D168 PolarHBondContact OG-N 2.96Å; S165-N169 CarbonylContact O-C 3.36Å; S165-N169 VanDerWaalsContact O-CA 3.24Å; S165-N169 WeakPolarHBondContact O-CA 3.43Å; S165-N169 PolarHBondContact O-N 3.39Å; S165-I170 PolarHBondContact N-O 3.04Å; S165-I170 PolarHBondContact O-N 3.47Å; S165-V172 WeakPolarHBondContact O-CG2 3.46Å |
| 166 | A | 98.1 | Very high | 98.1 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -32.3 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | F38 R41 F47 N135 | F38-A166 HydrophobicContact CB-CB 4.34Å; F38-A166 HydrophobicContact CD2-CB 4.2Å; R41-A166 WeakPolarHBondContact CG-O 3.25Å; R41-A166 PolarHBondContact NE-O 2.88Å; F47-A166 HydrophobicContact CD2-CB 4.31Å; F47-A166 HydrophobicContact CE2-CB 4.42Å; N135-A166 PolarHBondContact OD1-N 3.07Å |
| 167 | K | 97.8 | Very high | 98.1 | Very high | 102 Ų | 102 | 44.2 Ų | 44.2 | 44% | 0.443 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -56 | -178.9 | -178.1 | -162.4 | 178.9 | -174 | 0 | 110.6 | R41 F47 D138 S165 N169 | R41-K167 PolarHBondContact NH2-O 2.64Å; F47-K167 HydrophobicContact CD1-CB 4.38Å; F47-K167 HydrophobicContact CD1-CG 4.14Å; F47-K167 HydrophobicContact CD2-CB 4.19Å; F47-K167 HydrophobicContact CE1-CB 4.03Å; F47-K167 HydrophobicContact CE1-CG 3.75Å; F47-K167 HydrophobicContact CE2-CB 3.82Å; F47-K167 HydrophobicContact CE2-CG 4.46Å; F47-K167 HydrophobicContact CG-CB 4.46Å; F47-K167 HydrophobicContact CZ-CB 3.73Å; F47-K167 HydrophobicContact CZ-CG 3.93Å; D138-K167 WeakPolarHBondContact OD2-CD 3.45Å; D138-K167 IonicContact OD2-NZ 3.27Å; D138-K167 PolarHBondContact OD2-NZ 2.98Å; S165-K167 PolarHBondContact O-N 2.82Å; S165-K167 PolarHBondContact OG-N 2.92Å; K167-N169 VanDerWaalsContact C-N 3.32Å; K167-N169 PolarHBondContact O-N 2.69Å |
| 168 | D | 98.1 | Very high | 98.1 | Very high | 92 Ų | 92 | 46.3 Ų | 46.3 | 49% | 0.492 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 4.2 | -174.9 | -69.2 | 2.2 | 0 | 0 | 0 | 112.9 | D138 S165 I170 | D138-D168 HydrophobicContact CB-CB 4.38Å; D138-D168 VanDerWaalsContact CB-OD2 3.27Å; D138-D168 WeakPolarHBondContact CB-OD2 3.46Å; S165-D168 PolarHBondContact OG-N 2.96Å; D168-I170 VanDerWaalsContact C-N 3.31Å; D168-I170 HydrophobicContact CB-CD1 4.02Å; D168-I170 HydrophobicContact CB-CG1 4.08Å; D168-I170 PolarHBondContact O-N 3.17Å |
| 169 | N | 98 | Very high | 98.2 | Very high | 71 Ų | 71 | 43.1 Ų | 43.1 | 38% | 0.38 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 37.2 | 179.9 | -163.9 | 24.5 | 0 | 0 | 0 | 113.9 | R41 S165 K167 | R41-N169 WeakPolarHBondContact CD-OD1 3.24Å; R41-N169 HydrophobicContact CG-CB 4.31Å; R41-N169 WeakPolarHBondContact CG-OD1 3.29Å; S165-N169 CarbonylContact O-C 3.36Å; S165-N169 VanDerWaalsContact O-CA 3.24Å; S165-N169 WeakPolarHBondContact O-CA 3.43Å; S165-N169 PolarHBondContact O-N 3.39Å; K167-N169 VanDerWaalsContact C-N 3.32Å; K167-N169 PolarHBondContact O-N 2.69Å |
| 170 | I | 98.7 | Very high | 98.2 | Very high | 69 Ų | 69 | 42 Ų | 42 | 35% | 0.354 | 20% | 0.198 | S | C | . | . | B | Isolated β-bridge | trans | -87.9 | 125.7 | 178.1 | -60.2 | 171.7 | 0 | 0 | 0 | 108.8 | A164 S165 D168 V172 | A164-I170 VanDerWaalsContact CA-O 3.26Å; A164-I170 WeakPolarHBondContact CA-O 3.42Å; A164-I170 VanDerWaalsContact CB-O 3.26Å; A164-I170 WeakPolarHBondContact CB-O 3.24Å; S165-I170 PolarHBondContact N-O 3.04Å; S165-I170 PolarHBondContact O-N 3.47Å; D168-I170 VanDerWaalsContact C-N 3.31Å; D168-I170 HydrophobicContact CB-CD1 4.02Å; D168-I170 HydrophobicContact CB-CG1 4.08Å; D168-I170 PolarHBondContact O-N 3.17Å; I170-V172 PolarHBondContact O-N 3.3Å |
| 171 | N | 98.5 | Very high | 98.1 | Very high | 52 Ų | 52 | 40.6 Ų | 40.6 | 28% | 0.278 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 56.3 | 11.4 | 176 | -66.4 | -29 | 0 | 0 | 0 | 116.6 | F162 E163 A164 Q174 T175 | F162-N171 HydrophobicContact CD1-CB 4.42Å; E163-N171 WeakPolarHBondContact O-CB 3.18Å; E163-N171 PolarHBondContact O-ND2 2.71Å; A164-N171 HydrophobicContact CB-CB 4.07Å; N171-Q174 VanDerWaalsContact CA-OE1 3.3Å; N171-T175 WeakPolarHBondContact O-CB 3.28Å; N171-T175 PolarHBondContact O-N 2.98Å; N171-T175 PolarHBondContact O-OG1 3.45Å |
| 172 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.7 | -58.9 | -178.9 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | F38 R41 S165 I170 Q174 T175 F176 | F38-V172 HydrophobicContact CD1-CG1 4.37Å; F38-V172 HydrophobicContact CD2-CG1 4.32Å; F38-V172 HydrophobicContact CD2-CG2 4.03Å; F38-V172 HydrophobicContact CE1-CG1 4.19Å; F38-V172 HydrophobicContact CE2-CB 4.11Å; F38-V172 HydrophobicContact CE2-CG1 4.13Å; F38-V172 HydrophobicContact CE2-CG2 3.69Å; F38-V172 HydrophobicContact CG-CG1 4.44Å; F38-V172 HydrophobicContact CZ-CB 4.22Å; F38-V172 HydrophobicContact CZ-CG1 4.07Å; F38-V172 HydrophobicContact CZ-CG2 4.29Å; R41-V172 HydrophobicContact CB-CG1 4.26Å; R41-V172 HydrophobicContact CG-CB 4.19Å; R41-V172 HydrophobicContact CG-CG1 3.95Å; R41-V172 HydrophobicContact CG-CG2 3.88Å; S165-V172 WeakPolarHBondContact O-CG2 3.46Å; I170-V172 PolarHBondContact O-N 3.3Å; V172-Q174 VanDerWaalsContact C-N 3.33Å; V172-Q174 PolarHBondContact O-N 3.34Å; V172-T175 PolarHBondContact O-N 2.94Å; V172-F176 WeakPolarHBondContact O-CD2 3.26Å; V172-F176 PolarHBondContact O-N 2.82Å |
| 173 | K | 97.7 | Very high | 97.9 | Very high | 117 Ų | 117 | 37.9 Ų | 37.9 | 51% | 0.509 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 179.2 | -179.9 | 176.6 | 170.5 | -176.2 | 0 | 111.4 | Y42 T175 F176 E177 | Y42-K173 HydrophobicContact CE2-CG 4.46Å; K173-T175 VanDerWaalsContact C-N 3.31Å; K173-T175 PolarHBondContact O-N 3.33Å; K173-F176 PolarHBondContact O-N 2.88Å; K173-E177 WeakPolarHBondContact CE-OE1 3.45Å; K173-E177 HydrophobicContact CG-CG 4.23Å; K173-E177 IonicContact NZ-OE1 2.72Å; K173-E177 VanDerWaalsContact O-CB 3.27Å; K173-E177 WeakPolarHBondContact O-CB 3.32Å; K173-E177 WeakPolarHBondContact O-CG 3.36Å; K173-E177 PolarHBondContact O-N 3.26Å |
| 174 | Q | 98.3 | Very high | 97.6 | Very high | 89 Ų | 89 | 38 Ų | 38 | 42% | 0.416 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.2 | -40.1 | -179 | -65.2 | 86.4 | -29.5 | 0 | 0 | 111.9 | N171 V172 E177 R178 | N171-Q174 VanDerWaalsContact CA-OE1 3.3Å; V172-Q174 VanDerWaalsContact C-N 3.33Å; V172-Q174 PolarHBondContact O-N 3.34Å; Q174-E177 PolarHBondContact O-N 3.09Å; Q174-R178 WeakPolarHBondContact O-CB 3.41Å; Q174-R178 PolarHBondContact O-N 3.25Å |
| 175 | T | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.3 | -51.3 | 177.2 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | F38 I99 L131 V133 N171 V172 K173 E177 R178 L179 | F38-T175 HydrophobicContact CE1-CG2 4.27Å; F38-T175 HydrophobicContact CZ-CG2 4.23Å; I99-T175 HydrophobicContact CD1-CG2 4.02Å; I99-T175 HydrophobicContact CG1-CG2 4.3Å; I99-T175 HydrophobicContact CG2-CG2 4.35Å; L131-T175 HydrophobicContact CD1-CG2 3.9Å; L131-T175 WeakPolarHBondContact CD1-O 3.26Å; V133-T175 HydrophobicContact CG2-CG2 3.69Å; N171-T175 WeakPolarHBondContact O-CB 3.28Å; N171-T175 PolarHBondContact O-N 2.98Å; N171-T175 PolarHBondContact O-OG1 3.45Å; V172-T175 PolarHBondContact O-N 2.94Å; K173-T175 VanDerWaalsContact C-N 3.31Å; K173-T175 PolarHBondContact O-N 3.33Å; T175-E177 VanDerWaalsContact C-N 3.34Å; T175-E177 PolarHBondContact O-N 3.44Å; T175-R178 PolarHBondContact O-N 3.14Å; T175-L179 WeakPolarHBondContact O-CB 3.25Å; T175-L179 PolarHBondContact O-N 3.29Å |
| 176 | F | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 179.1 | -78.3 | -84.2 | 0 | 0 | 0 | 111.9 | I27 F38 Y42 I75 I99 V172 K173 L179 V180 | I27-F176 HydrophobicContact CD1-CE1 4.46Å; I27-F176 HydrophobicContact CD1-CZ 3.9Å; F38-F176 AromaticContact CD1-CE2 3.57Å; F38-F176 HydrophobicContact CD1-CE2 3.57Å; F38-F176 HydrophobicContact CD1-CZ 4.08Å; F38-F176 HydrophobicContact CE1-CD2 4.02Å; F38-F176 AromaticContact CE1-CE2 3.42Å; F38-F176 HydrophobicContact CE1-CE2 3.42Å; F38-F176 VanDerWaalsContact CE1-CE2 3.42Å; F38-F176 HydrophobicContact CE1-CZ 4.19Å; Y42-F176 VanDerWaalsContact CB-CE2 3.46Å; Y42-F176 HydrophobicContact CD1-CB 4.48Å; Y42-F176 AromaticContact CD1-CD1 3.91Å; Y42-F176 HydrophobicContact CD1-CD1 3.91Å; Y42-F176 AromaticContact CD1-CD2 3.61Å; Y42-F176 HydrophobicContact CD1-CD2 3.61Å; Y42-F176 AromaticContact CD1-CE1 3.97Å; Y42-F176 HydrophobicContact CD1-CE1 3.97Å; Y42-F176 AromaticContact CD1-CE2 3.67Å; Y42-F176 HydrophobicContact CD1-CE2 3.67Å; Y42-F176 AromaticContact CD1-CG 3.74Å; Y42-F176 HydrophobicContact CD1-CG 3.74Å; Y42-F176 AromaticContact CD1-CZ 3.85Å; Y42-F176 HydrophobicContact CD1-CZ 3.85Å; Y42-F176 HydrophobicContact CD2-CB 4.11Å; Y42-F176 AromaticContact CD2-CD2 3.46Å; Y42-F176 HydrophobicContact CD2-CD2 3.46Å; Y42-F176 VanDerWaalsContact CD2-CD2 3.46Å; Y42-F176 HydrophobicContact CD2-CE2 4.07Å; Y42-F176 AromaticContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CE1-CB 4Å; Y42-F176 AromaticContact CE1-CD1 3.75Å; Y42-F176 HydrophobicContact CE1-CD1 3.75Å; Y42-F176 AromaticContact CE1-CD2 3.99Å; Y42-F176 HydrophobicContact CE1-CD2 3.99Å; Y42-F176 HydrophobicContact CE1-CE1 4.2Å; Y42-F176 HydrophobicContact CE1-CE2 4.41Å; Y42-F176 AromaticContact CE1-CG 3.64Å; Y42-F176 HydrophobicContact CE1-CG 3.64Å; Y42-F176 HydrophobicContact CE2-CB 3.59Å; Y42-F176 AromaticContact CE2-CD2 3.87Å; Y42-F176 HydrophobicContact CE2-CD2 3.87Å; Y42-F176 AromaticContact CE2-CG 3.84Å; Y42-F176 HydrophobicContact CE2-CG 3.84Å; Y42-F176 HydrophobicContact CG-CD1 4.46Å; Y42-F176 AromaticContact CG-CD2 3.31Å; Y42-F176 HydrophobicContact CG-CD2 3.31Å; Y42-F176 AromaticContact CG-CE2 3.45Å; Y42-F176 HydrophobicContact CG-CE2 3.45Å; Y42-F176 VanDerWaalsContact CG-CE2 3.45Å; Y42-F176 AromaticContact CG-CG 3.86Å; Y42-F176 HydrophobicContact CG-CG 3.86Å; Y42-F176 HydrophobicContact CG-CZ 4.11Å; Y42-F176 AromaticContact CZ-CG 3.69Å; I75-F176 HydrophobicContact CD1-CD1 4.15Å; I75-F176 HydrophobicContact CD1-CE1 3.72Å; I75-F176 HydrophobicContact CD1-CZ 4.46Å; I75-F176 HydrophobicContact CG1-CE1 4.23Å; I75-F176 HydrophobicContact CG2-CE1 4.03Å; I99-F176 HydrophobicContact CD1-CD1 3.82Å; I99-F176 HydrophobicContact CD1-CD2 4.35Å; I99-F176 HydrophobicContact CD1-CE1 3.52Å; I99-F176 HydrophobicContact CD1-CE2 4.1Å; I99-F176 HydrophobicContact CD1-CG 4.22Å; I99-F176 HydrophobicContact CD1-CZ 3.68Å; V172-F176 WeakPolarHBondContact O-CD2 3.26Å; V172-F176 PolarHBondContact O-N 2.82Å; K173-F176 PolarHBondContact O-N 2.88Å; F176-L179 PolarHBondContact O-N 3.16Å; F176-V180 VanDerWaalsContact O-CG2 3.26Å; F176-V180 WeakPolarHBondContact O-CG2 3.39Å; F176-V180 PolarHBondContact O-N 3.5Å |
| 177 | E | 97.1 | Very high | 96.4 | Very high | 45 Ų | 45 | 47.7 Ų | 47.7 | 21% | 0.21 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 178.4 | -86.2 | -166.8 | -179.8 | 0 | 0 | 112.3 | R66 K173 Q174 T175 L179 V180 D181 | R66-E177 VanDerWaalsContact CZ-CD 3.5Å; R66-E177 IonicContact CZ-OE2 3.28Å; R66-E177 IonicContact NH1-OE1 3.51Å; R66-E177 PolarHBondContact NH1-OE1 2.94Å; R66-E177 IonicContact NH1-OE2 3.14Å; R66-E177 PolarHBondContact NH1-OE2 3.29Å; R66-E177 VanDerWaalsContact NH2-CB 3.27Å; R66-E177 IonicContact NH2-OE2 2.68Å; R66-E177 PolarHBondContact NH2-OE2 3.41Å; K173-E177 WeakPolarHBondContact CE-OE1 3.45Å; K173-E177 HydrophobicContact CG-CG 4.23Å; K173-E177 IonicContact NZ-OE1 2.72Å; K173-E177 VanDerWaalsContact O-CB 3.27Å; K173-E177 WeakPolarHBondContact O-CB 3.32Å; K173-E177 WeakPolarHBondContact O-CG 3.36Å; K173-E177 PolarHBondContact O-N 3.26Å; Q174-E177 PolarHBondContact O-N 3.09Å; T175-E177 VanDerWaalsContact C-N 3.34Å; T175-E177 PolarHBondContact O-N 3.44Å; E177-L179 PolarHBondContact O-N 3.42Å; E177-V180 WeakPolarHBondContact O-CB 3.34Å; E177-V180 PolarHBondContact O-N 3.3Å; E177-D181 PolarHBondContact O-N 3Å |
| 178 | R | 98 | Very high | 95.9 | Very high | 67 Ų | 67 | 45.5 Ų | 45.5 | 25% | 0.253 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.2 | -44 | 175.6 | -179.4 | 58.8 | -173.5 | 143.2 | 1.4 | 111.3 | L131 E160 F162 Q174 T175 V180 D181 V182 E185 | L131-R178 HydrophobicContact CD1-CB 4.35Å; L131-R178 HydrophobicContact CD1-CG 4.47Å; E160-R178 IonicContact OE1-CZ 3.29Å; E160-R178 VanDerWaalsContact OE1-CZ 3.28Å; E160-R178 IonicContact OE1-NE 3.79Å; E160-R178 PolarHBondContact OE1-NE 3.15Å; E160-R178 VanDerWaalsContact OE1-NE 3.14Å; E160-R178 IonicContact OE1-NH2 2.86Å; E160-R178 PolarHBondContact OE1-NH2 2.77Å; E160-R178 VanDerWaalsContact OE2-CG 3.28Å; E160-R178 WeakPolarHBondContact OE2-CG 3.48Å; E160-R178 IonicContact OE2-CZ 2.62Å; E160-R178 IonicContact OE2-NE 2.88Å; E160-R178 PolarHBondContact OE2-NE 2.68Å; E160-R178 IonicContact OE2-NH2 2.79Å; F162-R178 HydrophobicContact CE2-CB 4.26Å; F162-R178 HydrophobicContact CE2-CG 4.09Å; F162-R178 HydrophobicContact CZ-CB 3.96Å; F162-R178 HydrophobicContact CZ-CG 3.95Å; Q174-R178 WeakPolarHBondContact O-CB 3.41Å; Q174-R178 PolarHBondContact O-N 3.25Å; T175-R178 PolarHBondContact O-N 3.14Å; R178-V180 VanDerWaalsContact C-N 3.28Å; R178-V180 PolarHBondContact O-N 2.85Å; R178-D181 PolarHBondContact O-N 3.15Å; R178-D181 VanDerWaalsContact O-N 3.11Å; R178-V182 HydrophobicContact CG-CG2 4.22Å; R178-V182 VanDerWaalsContact O-CG2 3.25Å; R178-V182 WeakPolarHBondContact O-CG2 3.17Å; R178-V182 PolarHBondContact O-N 3.4Å; R178-E185 IonicContact NH1-OE1 2.77Å; R178-E185 PolarHBondContact NH1-OE1 2.94Å; R178-E185 IonicContact NH1-OE2 3.95Å; R178-E185 IonicContact NH2-OE2 3.09Å |
| 179 | L | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 178 | -178.5 | 56.6 | 0 | 0 | 0 | 111.8 | I25 I99 Q129 L131 T175 F176 E177 V182 I183 | I25-L179 HydrophobicContact CD1-CD2 4.1Å; I25-L179 HydrophobicContact CG1-CD2 4.16Å; I25-L179 HydrophobicContact CG2-CD2 3.69Å; I99-L179 HydrophobicContact CD1-CD2 4.3Å; I99-L179 HydrophobicContact CG1-CD2 3.73Å; Q129-L179 HydrophobicContact CB-CD1 3.9Å; L131-L179 HydrophobicContact CD1-CB 3.73Å; L131-L179 HydrophobicContact CG-CB 4.21Å; L131-L179 HydrophobicContact CG-CD1 4.22Å; T175-L179 WeakPolarHBondContact O-CB 3.25Å; T175-L179 PolarHBondContact O-N 3.29Å; F176-L179 PolarHBondContact O-N 3.16Å; E177-L179 PolarHBondContact O-N 3.42Å; L179-V182 PolarHBondContact O-N 2.76Å; L179-I183 HydrophobicContact CD1-CD1 4.11Å; L179-I183 HydrophobicContact CD1-CG1 4.33Å; L179-I183 HydrophobicContact CG-CD1 3.96Å; L179-I183 WeakPolarHBondContact O-CB 3.16Å; L179-I183 WeakPolarHBondContact O-CD1 3.01Å; L179-I183 WeakPolarHBondContact O-CG1 3.15Å; L179-I183 PolarHBondContact O-N 3.26Å |
| 180 | V | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -44.2 | 174.9 | 167.6 | 0 | 0 | 0 | 0 | 111.2 | F23 I25 I64 R66 I71 L73 F176 E177 R178 I183 C184 | F23-V180 HydrophobicContact CD2-CG1 4.3Å; F23-V180 HydrophobicContact CD2-CG2 4.29Å; F23-V180 HydrophobicContact CE2-CG1 3.94Å; I25-V180 HydrophobicContact CD1-CG2 4.48Å; I64-V180 HydrophobicContact CD1-CB 4.36Å; I64-V180 HydrophobicContact CD1-CG1 3.98Å; I64-V180 HydrophobicContact CD1-CG2 3.87Å; R66-V180 HydrophobicContact CG-CG1 4.1Å; I71-V180 HydrophobicContact CD1-CG1 3.79Å; L73-V180 HydrophobicContact CD1-CG2 3.97Å; L73-V180 HydrophobicContact CD2-CG2 3.55Å; L73-V180 HydrophobicContact CG-CG2 4.41Å; F176-V180 VanDerWaalsContact O-CG2 3.26Å; F176-V180 WeakPolarHBondContact O-CG2 3.39Å; F176-V180 PolarHBondContact O-N 3.5Å; E177-V180 WeakPolarHBondContact O-CB 3.34Å; E177-V180 PolarHBondContact O-N 3.3Å; R178-V180 VanDerWaalsContact C-N 3.28Å; R178-V180 PolarHBondContact O-N 2.85Å; V180-I183 PolarHBondContact O-N 3.07Å; V180-C184 PolarHBondContact O-N 3.36Å; V180-C184 PolarHBondContact O-SG 3.23Å |
| 181 | D | 96.3 | Very high | 93.1 | Very high | 39 Ų | 39 | 47.8 Ų | 47.8 | 21% | 0.209 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64 | -45.1 | -179.9 | -60.2 | -24 | 0 | 0 | 0 | 110.7 | R66 E177 R178 I183 C184 E185 | R66-D181 IonicContact CZ-OD1 2.81Å; R66-D181 IonicContact CZ-OD2 2.64Å; R66-D181 IonicContact NE-OD1 3.59Å; R66-D181 PolarHBondContact NE-OD1 3.24Å; R66-D181 VanDerWaalsContact NE-OD1 3.13Å; R66-D181 IonicContact NE-OD2 3.62Å; R66-D181 IonicContact NH2-OD1 3.78Å; R66-D181 PolarHBondContact NH2-OD1 2.66Å; R66-D181 IonicContact NH2-OD2 3.85Å; R66-D181 PolarHBondContact NH2-OD2 3.31Å; E177-D181 PolarHBondContact O-N 3Å; R178-D181 PolarHBondContact O-N 3.15Å; R178-D181 VanDerWaalsContact O-N 3.11Å; D181-I183 VanDerWaalsContact C-N 3.35Å; D181-I183 PolarHBondContact O-N 3.46Å; D181-C184 WeakPolarHBondContact O-CB 3.19Å; D181-C184 PolarHBondContact O-N 2.97Å; D181-C184 VanDerWaalsContact O-N 3.16Å; D181-E185 VanDerWaalsContact O-CG 3.31Å; D181-E185 WeakPolarHBondContact O-CG 3.38Å; D181-E185 PolarHBondContact O-N 3.39Å |
| 182 | V | 95.8 | Very high | 91.8 | Very high | 14 Ų | 14 | 52 Ų | 52 | 9% | 0.085 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 176.1 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | Q129 R178 L179 E185 K186 | Q129-V182 HydrophobicContact CB-CG1 4.01Å; Q129-V182 HydrophobicContact CG-CG1 3.73Å; R178-V182 HydrophobicContact CG-CG2 4.22Å; R178-V182 VanDerWaalsContact O-CG2 3.25Å; R178-V182 WeakPolarHBondContact O-CG2 3.17Å; R178-V182 PolarHBondContact O-N 3.4Å; L179-V182 PolarHBondContact O-N 2.76Å; V182-E185 PolarHBondContact O-N 2.96Å; V182-K186 WeakPolarHBondContact O-CB 3.3Å; V182-K186 PolarHBondContact O-N 2.96Å |
| 183 | I | 95.4 | Very high | 89.9 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63 | -43.7 | 175.5 | -70.5 | 164.9 | 0 | 0 | 0 | 110.6 | F23 I25 M96 Q129 L179 V180 D181 K186 M187 | F23-I183 HydrophobicContact CD1-CG2 4.12Å; F23-I183 HydrophobicContact CD2-CB 4.27Å; F23-I183 HydrophobicContact CD2-CD1 4.25Å; F23-I183 HydrophobicContact CD2-CG2 3.85Å; F23-I183 HydrophobicContact CE1-CG2 4.02Å; F23-I183 HydrophobicContact CE2-CB 4.13Å; F23-I183 HydrophobicContact CE2-CG2 3.71Å; F23-I183 HydrophobicContact CG-CG2 4.07Å; F23-I183 HydrophobicContact CZ-CG2 3.84Å; I25-I183 HydrophobicContact CG1-CD1 4.44Å; M96-I183 HydrophobicContact CB-CD1 3.96Å; M96-I183 HydrophobicContact CB-CG1 4.34Å; M96-I183 HydrophobicContact CB-CG2 4.19Å; M96-I183 HydrophobicContact CE-CG2 3.51Å; Q129-I183 HydrophobicContact CB-CG1 4.14Å; Q129-I183 HydrophobicContact CG-CG1 4.01Å; L179-I183 HydrophobicContact CD1-CD1 4.11Å; L179-I183 HydrophobicContact CD1-CG1 4.33Å; L179-I183 HydrophobicContact CG-CD1 3.96Å; L179-I183 WeakPolarHBondContact O-CB 3.16Å; L179-I183 WeakPolarHBondContact O-CD1 3.01Å; L179-I183 WeakPolarHBondContact O-CG1 3.15Å; L179-I183 PolarHBondContact O-N 3.26Å; V180-I183 PolarHBondContact O-N 3.07Å; D181-I183 VanDerWaalsContact C-N 3.35Å; D181-I183 PolarHBondContact O-N 3.46Å; I183-K186 PolarHBondContact O-N 2.64Å; I183-M187 HydrophobicContact CG2-CE 4.3Å; I183-M187 WeakPolarHBondContact O-CG 3.27Å; I183-M187 PolarHBondContact O-N 3.23Å |
| 184 | C | 93.7 | Very high | 87.7 | Confident | 33 Ų | 33 | 55 Ų | 55 | 22% | 0.223 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 176.3 | -71.9 | 0 | 0 | 0 | 0 | 111.9 | V180 D181 K186 M187 S188 | V180-C184 PolarHBondContact O-N 3.36Å; V180-C184 PolarHBondContact O-SG 3.23Å; D181-C184 WeakPolarHBondContact O-CB 3.19Å; D181-C184 PolarHBondContact O-N 2.97Å; D181-C184 VanDerWaalsContact O-N 3.16Å; C184-K186 VanDerWaalsContact C-N 3.32Å; C184-K186 PolarHBondContact O-N 3.35Å; C184-M187 PolarHBondContact O-N 2.98Å; C184-S188 PolarHBondContact O-N 2.92Å; C184-S188 PolarHBondContact O-OG 3.03Å |
| 185 | E | 92.5 | Very high | 85.1 | Confident | 88 Ų | 88 | 56.8 Ų | 56.8 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54.8 | -48.4 | 176.3 | -71.6 | 163.2 | -161.2 | 0 | 0 | 110.5 | R178 D181 V182 M187 S188 E189 | R178-E185 IonicContact NH1-OE1 2.77Å; R178-E185 PolarHBondContact NH1-OE1 2.94Å; R178-E185 IonicContact NH1-OE2 3.95Å; R178-E185 IonicContact NH2-OE2 3.09Å; D181-E185 VanDerWaalsContact O-CG 3.31Å; D181-E185 WeakPolarHBondContact O-CG 3.38Å; D181-E185 PolarHBondContact O-N 3.39Å; V182-E185 PolarHBondContact O-N 2.96Å; E185-M187 PolarHBondContact O-N 3.31Å; E185-S188 WeakPolarHBondContact CA-OG 3.44Å; E185-S188 PolarHBondContact O-N 2.77Å; E185-S188 PolarHBondContact O-OG 3.01Å; E185-E189 WeakPolarHBondContact O-CG 3.18Å; E185-E189 PolarHBondContact O-N 3.04Å; E185-E189 VanDerWaalsContact O-N 3.15Å |
| 186 | K | 90.6 | Very high | 82.7 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 29% | 0.291 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 179.4 | -162.4 | 74.9 | -157.8 | 154.2 | 0 | 113.6 | V182 I183 C184 E189 S190 | V182-K186 WeakPolarHBondContact O-CB 3.3Å; V182-K186 PolarHBondContact O-N 2.96Å; I183-K186 PolarHBondContact O-N 2.64Å; C184-K186 VanDerWaalsContact C-N 3.32Å; C184-K186 PolarHBondContact O-N 3.35Å; K186-E189 IonicContact NZ-OE2 2.98Å; K186-E189 PolarHBondContact NZ-OE2 2.9Å; K186-S190 PolarHBondContact O-N 3.07Å; K186-S190 PolarHBondContact O-OG 2.96Å |
| 187 | M | 87.3 | Confident | 80.2 | Confident | 51 Ų | 51 | 65.9 Ų | 65.9 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.2 | -38.6 | 176.2 | -74.2 | -168.2 | -55.2 | 0 | 0 | 112 | Y21 F23 M96 I183 C184 E185 S190 L191 | Y21-M187 HydrophobicContact CD1-CE 4.39Å; F23-M187 HydrophobicContact CE1-CE 3.31Å; F23-M187 HydrophobicContact CE1-SD 3.95Å; F23-M187 HydrophobicContact CE2-CE 4.44Å; F23-M187 HydrophobicContact CZ-CE 3.26Å; F23-M187 HydrophobicContact CZ-SD 4.44Å; M96-M187 HydrophobicContact CE-CE 4.4Å; M96-M187 HydrophobicContact CE-CG 4.17Å; M96-M187 HydrophobicContact CE-SD 3.42Å; M96-M187 WeakPolarHBondContact CE-SD 3.26Å; I183-M187 HydrophobicContact CG2-CE 4.3Å; I183-M187 WeakPolarHBondContact O-CG 3.27Å; I183-M187 PolarHBondContact O-N 3.23Å; C184-M187 PolarHBondContact O-N 2.98Å; E185-M187 PolarHBondContact O-N 3.31Å; M187-S190 PolarHBondContact O-N 3.1Å; M187-L191 WeakPolarHBondContact O-CG 3.41Å; M187-L191 PolarHBondContact O-N 3.35Å |
| 188 | S | 86.2 | Confident | 77.7 | Confident | 57 Ų | 57 | 70.1 Ų | 70.1 | 40% | 0.399 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.5 | 40.8 | 0 | 0 | 0 | 0 | 112.5 | C184 E185 S190 L191 D192 | C184-S188 PolarHBondContact O-N 2.92Å; C184-S188 PolarHBondContact O-OG 3.03Å; E185-S188 WeakPolarHBondContact CA-OG 3.44Å; E185-S188 PolarHBondContact O-N 2.77Å; E185-S188 PolarHBondContact O-OG 3.01Å; S188-S190 PolarHBondContact O-N 2.81Å; S188-L191 PolarHBondContact O-N 3.06Å; S188-D192 PolarHBondContact O-N 3.18Å; S188-D192 VanDerWaalsContact O-N 3.09Å |
| 189 | E | 85.3 | Confident | 74.9 | Confident | 101 Ų | 101 | 72.8 Ų | 72.8 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.4 | -34.8 | 176.3 | -68.6 | 174.2 | 178.1 | 0 | 0 | 112.5 | E185 K186 L191 T193 | E185-E189 WeakPolarHBondContact O-CG 3.18Å; E185-E189 PolarHBondContact O-N 3.04Å; E185-E189 VanDerWaalsContact O-N 3.15Å; K186-E189 IonicContact NZ-OE2 2.98Å; K186-E189 PolarHBondContact NZ-OE2 2.9Å; E189-L191 VanDerWaalsContact C-N 3.35Å; E189-T193 PolarHBondContact O-N 2.87Å; E189-T193 PolarHBondContact O-OG1 2.67Å |
| 190 | S | 78.8 | Confident | 71.9 | Confident | 54 Ų | 54 | 75.7 Ų | 75.7 | 38% | 0.378 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -74.7 | -25.1 | 179.8 | -56.3 | 0 | 0 | 0 | 0 | 112.8 | K186 M187 S188 T193 | K186-S190 PolarHBondContact O-N 3.07Å; K186-S190 PolarHBondContact O-OG 2.96Å; M187-S190 PolarHBondContact O-N 3.1Å; S188-S190 PolarHBondContact O-N 2.81Å; S190-T193 PolarHBondContact O-OG1 2.99Å |
| 191 | L | 73.5 | Confident | 69 | Low | 125 Ų | 125 | 80.4 Ų | 80.4 | 65% | 0.654 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -81.3 | -37.7 | 175.7 | -68.5 | 171.9 | 0 | 0 | 0 | 111.4 | M187 S188 E189 T193 A194 | M187-L191 WeakPolarHBondContact O-CG 3.41Å; M187-L191 PolarHBondContact O-N 3.35Å; S188-L191 PolarHBondContact O-N 3.06Å; E189-L191 VanDerWaalsContact C-N 3.35Å; L191-T193 VanDerWaalsContact C-N 3.31Å; L191-T193 PolarHBondContact O-N 2.72Å; L191-A194 WeakPolarHBondContact O-CB 3.25Å; L191-A194 PolarHBondContact O-N 3.48Å |
| 192 | D | 69.6 | Low | 66.2 | Low | 139 Ų | 139 | 88 Ų | 88 | 74% | 0.743 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72.2 | -26.3 | -179.9 | -68.3 | -24.6 | 0 | 0 | 0 | 112.8 | S188 A194 | S188-D192 PolarHBondContact O-N 3.18Å; S188-D192 VanDerWaalsContact O-N 3.09Å; D192-A194 VanDerWaalsContact C-N 3.31Å |
| 193 | T | 59.3 | Low | 63.1 | Low | 114 Ų | 114 | 96.9 Ų | 96.9 | 70% | 0.699 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -11.8 | 174.6 | 43.5 | 0 | 0 | 0 | 0 | 113.5 | E189 S190 L191 D195 | E189-T193 PolarHBondContact O-N 2.87Å; E189-T193 PolarHBondContact O-OG1 2.67Å; S190-T193 PolarHBondContact O-OG1 2.99Å; L191-T193 VanDerWaalsContact C-N 3.31Å; L191-T193 PolarHBondContact O-N 2.72Å; T193-D195 VanDerWaalsContact C-N 3.27Å; T193-D195 PolarHBondContact O-N 3.06Å |
| 194 | A | 52.6 | Low | 60 | Low | 68 Ų | 68 | 100 Ų | 100 | 56% | 0.562 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -78.4 | 80.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | L191 D192 | L191-A194 WeakPolarHBondContact O-CB 3.25Å; L191-A194 PolarHBondContact O-N 3.48Å; D192-A194 VanDerWaalsContact C-N 3.31Å |
| 195 | D | 41.9 | Very low | 57.6 | Low | 126 Ų | 126 | 104.2 Ų | 104.2 | 67% | 0.674 | 63% | 0.631 | S | S | * | * | trans | -45.6 | 122.3 | 177.1 | -123.3 | -25.4 | 0 | 0 | 0 | 111.2 | T193 A197 | T193-D195 VanDerWaalsContact C-N 3.27Å; T193-D195 PolarHBondContact O-N 3.06Å; D195-A197 PolarHBondContact O-N 3.5Å | ||
| 196 | P | 48.1 | Very low | 54.7 | Low | 106 Ų | 106 | 109 Ų | 109 | 69% | 0.688 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -64.2 | -7.5 | 178.6 | -11.5 | 20.5 | 0 | 0 | 0 | 113.6 | V198 T199 | P196-V198 VanDerWaalsContact C-N 3.25Å; P196-V198 PolarHBondContact O-N 3.01Å; P196-T199 PolarHBondContact O-OG1 2.57Å |
| 197 | A | 47.8 | Very low | 52.1 | Low | 85 Ų | 85 | 114.2 Ų | 114.2 | 70% | 0.702 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -75.6 | -1.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D195 | D195-A197 PolarHBondContact O-N 3.5Š|
| 198 | V | 44.6 | Very low | 49.7 | Very low | 133 Ų | 133 | 116.5 Ų | 116.5 | 81% | 0.806 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -112.4 | 40.9 | 173.7 | -161.1 | 0 | 0 | 0 | 0 | 111.4 | P196 G200 | P196-V198 VanDerWaalsContact C-N 3.25Å; P196-V198 PolarHBondContact O-N 3.01Å; V198-G200 VanDerWaalsContact C-N 3.33Å |
| 199 | T | 38.1 | Very low | 47.5 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 76% | 0.761 | 73% | 0.727 | S | S | * | * | trans | -102.6 | 38.7 | 158.2 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | P196 A201 | P196-T199 PolarHBondContact O-OG1 2.57Å; T199-A201 VanDerWaalsContact C-N 3.33Å; T199-A201 PolarHBondContact O-N 3.48Å | ||
| 200 | G | 35.2 | Very low | 45.1 | Very low | 60 Ų | 60 | 125.4 Ų | 125.4 | 62% | 0.619 | 75% | 0.745 | S | S | * | * | trans | -71.8 | 93 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | V198 K202 | V198-G200 VanDerWaalsContact C-N 3.33Å; G200-K202 VanDerWaalsContact C-N 3.33Å; G200-K202 PolarHBondContact O-N 2.93Å | ||
| 201 | A | 36.4 | Very low | 42.9 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -47 | 90.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T199 | T199-A201 VanDerWaalsContact C-N 3.33Å; T199-A201 PolarHBondContact O-N 3.48Å | ||
| 202 | K | 36.5 | Very low | 41.3 | Very low | 200 Ų | 200 | 131.9 Ų | 131.9 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | trans | -92 | 102.6 | 164.3 | -74.9 | -167.8 | 176.1 | -179 | 0 | 107.2 | G200 | G200-K202 VanDerWaalsContact C-N 3.33Å; G200-K202 PolarHBondContact O-N 2.93Å | ||
| 203 | Q | 32.3 | Very low | 39.8 | Very low | 200 Ų | 200 | 130.4 Ų | 130.4 | 94% | 0.935 | 77% | 0.772 | S | S | * | * | trans | -56.5 | 130.9 | 168.9 | -68.9 | 170 | -10.7 | 0 | 0 | 110.1 | ||||
| 204 | G | 28.8 | Very low | 39 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 128.3 | 154.2 | 164 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 205 | P | 43.6 | Very low | 38.6 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | cis | -115.7 | 143 | 5.1 | 33.3 | -17.2 | 0 | 0 | 0 | 113.3 | L207 | P205-L207 PolarHBondContact O-N 3.04Š| ||
| 206 | Q | 32.8 | Very low | 38.6 | Very low | 188 Ų | 188 | 138.1 Ų | 138.1 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -62.4 | 117.2 | 170 | -163.2 | 159.5 | -0.2 | 0 | 0 | 109.1 | S208 | Q206-S208 PolarHBondContact O-N 3.03Š| ||
| 207 | L | 34.9 | Very low | 38.5 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -66.7 | 98.3 | 174.5 | -71.9 | 160.7 | 0 | 0 | 0 | 108.4 | P205 D209 | P205-L207 PolarHBondContact O-N 3.04Å; L207-D209 PolarHBondContact O-N 3.27Å | ||
| 208 | S | 38.5 | Very low | 38.1 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | trans | -75 | 116 | 166.4 | 56.3 | 0 | 0 | 0 | 0 | 108.7 | Q206 Q210 | Q206-S208 PolarHBondContact O-N 3.03Å; S208-Q210 PolarHBondContact O-N 3.26Å | ||
| 209 | D | 38.3 | Very low | 37.7 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -51.3 | 107.5 | 169 | -118.7 | -23 | 0 | 0 | 0 | 109.4 | L207 Q211 | L207-D209 PolarHBondContact O-N 3.27Å; D209-Q211 PolarHBondContact O-N 3.18Å; D209-Q211 VanDerWaalsContact O-N 3.08Å | ||
| 210 | Q | 35.1 | Very low | 38.4 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 84% | 0.836 | 83% | 0.831 | S | S | * | * | trans | -72.6 | 101.1 | 172.2 | -88.1 | 179.5 | -23.4 | 0 | 0 | 108.2 | S208 V212 | S208-Q210 PolarHBondContact O-N 3.26Å; Q210-V212 PolarHBondContact O-N 2.83Å | ||
| 211 | Q | 33.7 | Very low | 38.6 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -55 | 118.8 | 164.5 | -77.2 | 174.1 | -35.4 | 0 | 0 | 109.7 | D209 | D209-Q211 PolarHBondContact O-N 3.18Å; D209-Q211 VanDerWaalsContact O-N 3.08Å |
| 212 | V | 39.5 | Very low | 38.7 | Very low | 130 Ų | 130 | 150.1 Ų | 150.1 | 79% | 0.788 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 130.4 | 173 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | Q210 | Q210-V212 PolarHBondContact O-N 2.83Š|
| 213 | P | 38.1 | Very low | 38.8 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 70% | 0.701 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 142.9 | -179.3 | -8.5 | 22.9 | 0 | 0 | 0 | 111 | H215 | P213-H215 PolarHBondContact O-N 2.84Š|
| 214 | P | 42.5 | Very low | 39.2 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 78% | 0.779 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 126.8 | 177.5 | 26.5 | -31.3 | 0 | 0 | 0 | 110.9 | Q216 | P214-Q216 PolarHBondContact O-N 3.18Š|
| 215 | H | 43.8 | Very low | 39.9 | Very low | 167 Ų | 167 | 148.9 Ų | 148.9 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | trans | -59.4 | 104.9 | 171 | -134.4 | -91.2 | 0 | 0 | 0 | 108.9 | P213 D217 | P213-H215 PolarHBondContact O-N 2.84Å; H215-D217 IonicContact CE1-OD2 3.66Å; H215-D217 PolarHBondContact CE1-OD2 3.24Å; H215-D217 IonicContact ND1-OD2 3.44Å; H215-D217 PolarHBondContact ND1-OD2 3.44Å; H215-D217 PolarHBondContact O-N 2.99Å | ||
| 216 | Q | 42.5 | Very low | 39.6 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 86% | 0.855 | 85% | 0.847 | S | S | * | * | trans | -83.8 | 96.5 | 159.8 | -77.3 | -178.4 | -6.5 | 0 | 0 | 106.8 | P214 | P214-Q216 PolarHBondContact O-N 3.18Š| ||
| 217 | D | 45 | Very low | 40.1 | Very low | 134 Ų | 134 | 148 Ų | 148 | 72% | 0.717 | 85% | 0.845 | S | S | * | * | trans | -105.2 | 116.3 | 155.6 | -85.4 | -39.9 | 0 | 0 | 0 | 109 | H215 | H215-D217 IonicContact CE1-OD2 3.66Å; H215-D217 PolarHBondContact CE1-OD2 3.24Å; H215-D217 IonicContact ND1-OD2 3.44Å; H215-D217 PolarHBondContact ND1-OD2 3.44Å; H215-D217 PolarHBondContact O-N 2.99Å | ||
| 218 | C | 40.5 | Very low | 40.5 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 85% | 0.851 | 84% | 0.839 | S | S | * | * | trans | -73.4 | 145.6 | -175.3 | -162.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 219 | A | 36.5 | Very low | 40.7 | Very low | 90 Ų | 90 | 149.7 Ų | 149.7 | 74% | 0.744 | 85% | 0.85 | S | S | * | * | trans | -60.2 | 133.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 220 | C | 52.9 | Low | 40.9 | Very low | 209 Ų | 209 | 148.3 Ų | 148.3 | 100% | 1.412 | 85% | 0.847 | S | S | * | * | trans | -162.6 | 0 | 134.8 | -87.1 | 0 | 0 | 0 | 0 | 107.9 |
Retrieved 220 of 220 residues in 243.6 ms
(Link to these results)